Works (146)

Updated: March 2nd, 2024 10:12

2023 journal article

Predicting properties of high entropy carbides from their respective binaries

COMPUTATIONAL MATERIALS SCIENCE, 226.

By: M. Lim* & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Density Functional Theory (DFT); Entropy Forming Ability (EFA); and High Entropy Carbides (HECs)
Source: Web Of Science
Added: July 3, 2023

2022 article

High-entropy ceramics: Propelling applications through disorder

Toher, C., Oses, C., Esters, M., Hicks, D., Kotsonis, G. N., Rost, C. M., … Curtarolo, S. (2022, April 19). MRS BULLETIN.

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: May 2, 2022

2022 journal article

The Challenges of Modeling Defect Behavior and Plasticity across Spatial and Temporal Scales: A Case Study of Metal Bilayer Impact

METALS, 12(12).

By: L. Granger n, M. Chen n, D. Brenner n & M. Zikry n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: L. Granger n, M. Chen n, D. Brenner n & M. Zikry n 

author keywords: molecular dynamics; dislocation density-based crystalline plasticity; dislocations; stacking faults; partial dislocation densities; spall
Sources: Web Of Science, ORCID
Added: January 9, 2023

2021 journal article

Carbon stoichiometry and mechanical properties of high entropy carbides

ACTA MATERIALIA, 215.

By: M. Hossain *, T. Borman *, A. Kumar *, X. Chen *, A. Khosravani*, S. Kalidindi *, E. Paisley*, M. Esters * ...

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: High entropy carbide; Carbon stoichiometry; Nano-indentation; Mechanical property; Hardness; First principle calculation
Source: Web Of Science
Added: August 23, 2021

2021 article

Entropy Landscaping of High-Entropy Carbides

Hossain, M. D., Borman, T., Oses, C., Esters, M., Toher, C., Feng, L., … Maria, J.-P. (2021, September 2). ADVANCED MATERIALS.

By: M. Hossain *, T. Borman *, C. Oses *, M. Esters *, C. Toher *, L. Feng *, A. Kumar *, W. Fahrenholtz* ...

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: configurational entropy; electronic and vibrational entropy; free energy; high-entropy carbides; thermodynamic stability; valence electron concentration
Source: Web Of Science
Added: September 7, 2021

2021 article

High-Entropy Ultra-High-Temperature Borides and Carbides: A New Class of Materials for Extreme Environments

ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 51, 2021, Vol. 51, pp. 165–185.

By: L. Feng *, W. Fahrenholtz* & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: high-entropy ceramics; ultra-high-temperature ceramics; entropy stabilization; high-entropy borides; high-entropy carbides
Source: Web Of Science
Added: August 30, 2021

2021 journal article

Settling the matter of the role of vibrations in the stability of high-entropy carbides

NATURE COMMUNICATIONS, 12(1).

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: October 12, 2021

2020 journal article

Dynamics of Neutral and Charged Nanodiamonds in Aqueous Media Confined between Gold Surfaces under Normal and Shear Loading

ACS OMEGA, 5(18), 10349–10358.

By: L. Su n, J. Krim n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: L. Su n, J. Krim n  & D. Brenner n

Sources: Web Of Science, ORCID
Added: June 15, 2020

2020 journal article

Electron and phonon thermal conductivity in high entropy carbides with variable carbon content

ACTA MATERIALIA, 196, 231–239.

By: C. Rost*, T. Borman*, M. Hossain *, M. Lim n, K. Quiambao-Tomko*, J. Tomko *, D. Brenner n, J. Maria*, P. Hopkins *

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 31, 2020

2020 journal article

Exchange interactions and long-range magnetic order in the (Mg,Co,Cu,Ni,Zn)O entropy-stabilized oxide: A theoretical investigation

JOURNAL OF APPLIED PHYSICS, 127(18).

By: Z. Rak n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Web Of Science, ORCID
Added: June 1, 2020

2019 journal article

Dielectric and Electrostatic Properties of the Silica Nanoparticle-Water Interface by EPR of pH-Sensitive Spin Probes

JOURNAL OF PHYSICAL CHEMISTRY C, 123(49), 29972–29985.

By: V. Perelygin n, M. Voinov n, A. Marek n, E. Ou n, J. Krim n , D. Brenner n, T. Smirnova n , A. Smirnov  n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: V. Perelygin n, M. Voinov n, A. Marek n, E. Ou n, J. Krim n , D. Brenner n, T. Smirnova n , A. Smirnov n 

Sources: Web Of Science, ORCID
Added: January 6, 2020

2019 journal article

Effect of water chemistry on the composition of oxides formed on stainless steel surfaces in light water reactors

JOURNAL OF NUCLEAR MATERIALS, 526.

By: Z. Rak n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Web Of Science, ORCID
Added: December 30, 2019

2019 journal article

Influence of mass and charge disorder on the phonon thermal conductivity of entropy stabilized oxides determined by molecular dynamics simulations

JOURNAL OF APPLIED PHYSICS, 125(5).

By: M. Lim n, Z. Rak n , J. Braun*, C. Rost *, G. Kotsonis *, P. Hopkins *, J. Maria*, D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Web Of Science, ORCID
Added: February 25, 2019

2019 journal article

Nanotribological Performance Factors for Aqueous Suspensions of Oxide Nanoparticles and Their Relation to Macroscale Lubricity

LUBRICANTS, 7(6).

By: B. Acharya n, T. Pardue n, L. Su n, A. Smirnov  n, D. Brenner n & J. Krim n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: B. Acharya n, T. Pardue n, L. Su n, A. Smirnov n , D. Brenner n & J. Krim n 

author keywords: Nanotribology; QCM; Nanolubricants; Oxide nanoparticles; Nanoparticle additives; Al2O3; TiO2; SiO2; Fe2O3
Sources: Web Of Science, ORCID
Added: August 5, 2019

2019 journal article

Negative Surface Energies of Nickel Ferrite Nanoparticles under Hydrothermal Conditions

JOURNAL OF NANOMATERIALS, 2019.

By: Z. Rak n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Web Of Science, ORCID
Added: November 18, 2019

2019 journal article

Phase stability and mechanical properties of novel high entropy transition metal carbides

ACTA MATERIALIA, 166, 271–280.

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Carbides; High-entropy alloys; Entropy-stabilized; Multicomponent; Hardness
Source: Web Of Science
Added: March 11, 2019

2019 journal article

Tuning friction and slip at solid-nanoparticle suspension interfaces by electric fields

SCIENTIFIC REPORTS, 9(1).

By: B. Acharya n, C. Seed n, D. Brenner n, A. Smirnov n  & J. Krim n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: B. Acharya n, C. Seed n, D. Brenner n, A. Smirnov n  & J. Krim n 

Sources: Web Of Science, ORCID
Added: December 30, 2019

2018 journal article

Charge-Induced Disorder Controls the Thermal Conductivity of Entropy-Stabilized Oxides

ADVANCED MATERIALS, 30(51).

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: entropy-stabilized; high-entropy alloys; high-entropy ceramics; thermal conductivity
Source: Web Of Science
Added: January 7, 2019

2018 journal article

Evidence for Jahn-Teller compression in the (Mg, Co, Ni, Cu, Zn)O entropy-stabilized oxide: A DFT study

MATERIALS LETTERS, 217, 300–303.

By: Z. Rak n , J. Maria n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Jahn-Teller distortion; Entropy-stabilized oxides; High entropy materials
Sources: Web Of Science, ORCID
Added: August 6, 2018

2018 journal article

First-principles investigation of diffusion and defect properties of Fe and Ni in Cr2O3

Journal of Applied Physics, 123(15), 155105.

By: Z. Rak n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2018 journal article

High-entropy high-hardness metal carbides discovered by entropy descriptors

NATURE COMMUNICATIONS, 9.

By: P. Sarker *, T. Harrington*, C. Toher *, C. Oses *, M. Samiee*, J. Maria n, D. Brenner n, K. Vecchio *, S. Curtarolo *

co-author countries: Germany πŸ‡©πŸ‡ͺ United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: December 10, 2018

2018 journal article

Interdependent Roles of Electrostatics and Surface Functionalization on the Adhesion Strengths of Nanodiamonds to Gold in Aqueous Environments Revealed by Molecular Dynamics Simulations

The Journal of Physical Chemistry Letters, 9(15), 4396–4400.

By: L. Su n, J. Krim n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: L. Su n, J. Krim n  & D. Brenner n

Sources: Crossref, ORCID
Added: February 18, 2020

2017 journal article

Ab initio investigation of the surface properties of austenitic Fe-Ni-Cr alloys in aqueous environments

APPLIED SURFACE SCIENCE, 402, 108–113.

By: Z. Rak n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Austenitic; Fe-Cr-Ni; Alloy; Stainless steel; Surface energy; Ab initio
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

How predictable is plastic damage at the atomic scale?

Applied Physics Letters, 110(9), 091902.

By: D. Li n, E. Bucholz n, G. Peterson n, B. Reich n , J. Russ n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Crossref, ORCID, NC State University Libraries
Added: August 6, 2018

2017 journal article

Local structure of the MgxNixCoxCuxZnxO(x=0.2) entropy-stabilized oxide: An EXAFS study

JOURNAL OF THE AMERICAN CERAMIC SOCIETY, 100(6), 2732–2738.

By: C. Rost n, Z. Rak n , D. Brenner n & J. Maria n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: oxides; structure; X-ray methods
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Spatial prediction of crystalline defects observed in molecular dynamic simulations of plastic damage

JOURNAL OF APPLIED STATISTICS, 44(10), 1761–1784.

By: G. Peterson n, D. Li n, B. Reich n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Materials science; uncertainty quantification; computer emulation; MCMC; multivariate
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Statistical and image analysis for characterizing simulated atomic-scale damage in crystals

COMPUTATIONAL MATERIALS SCIENCE, 135, 119–126.

By: D. Li n, B. Reich n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Molecular dynamics; Statistical analysis; 'Plastic damage; Dislocations
Sources: Web Of Science, ORCID
Added: August 6, 2018

2017 journal article

Using spatial cross-correlation image analysis to characterize the influence of strain rate on plastic damage in molecular dynamics simulations

Modelling and Simulation in Materials Science and Engineering, 25(7).

By: D. Li, B. Reich  & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2016 journal article

Charge compensation and electrostatic transferability in three entropy-stabilized oxides: Results from density functional theory calculations

Journal of Applied Physics, 120(9), 095105.

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2016 journal article

Theoretical assessment of bonaccordite formation in pressurized water reactors

JOURNAL OF NUCLEAR MATERIALS, 474, 62–64.

By: Z. Rak n , C. O'Brien n, D. Shin *, A. Andersson*, C. Stanek* & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Web Of Science, ORCID
Added: August 6, 2018

2016 journal article

Understanding the Atomic-Level Chemistry and Structure of Oxide Deposits on Fuel Rods in Light Water Nuclear Reactors Using First Principles Methods

JOM, 68(11), 2912–2921.

By: Z. Rak n , C. O'Brien n, D. Brenner n, D. Andersson * & C. Stanek*

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

A particle assembly/constrained expansion (PACE) model for the formation and structure of porous metal oxide deposits on nuclear fuel rods in pressurized light water reactors

JOURNAL OF NUCLEAR MATERIALS, 457, 209–212.

By: D. Brenner n, S. Lu n, . Christopher J. O'Brien n, E. Bucholz n & Z. Rak n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: D. Brenner n, S. Lu n, . C.J. O'Brien, E. Bucholz n & Z. Rak n 

Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Defect formation in aqueous environment: Theoretical assessment of boron incorporation in nickel ferrite under conditions of an operating pressurized-water nuclear reactor (PWR)

JOURNAL OF NUCLEAR MATERIALS, 461, 350–356.

By: Z. Rak n , E. Bucholz n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: Z. RΓ‘k n , E. Bucholz n & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

Interplay of electronic structure and unusual development in crystal structure of YbAuIn and Yb3AuGe2In3

PHILOSOPHICAL MAGAZINE, 95(20), 2167–2174.

By: Z. Rak n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: Z. RΓ‘k n  & D. Brenner n

author keywords: electronic structure; Yb-intermetallics; intermediate valency; strongly correlated materials
Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 journal article

New Method for Extracting Diffusion-Controlled Kinetics from Differential Scanning Calorimetry: Application to Energetic Nanostructures

The Journal of Physical Chemistry C, 119(25), 150610143303004.

By: S. Lu n, E. Mily n, D. Irving n, J. Maria n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2015 journal article

Theory and modelling of diamond fracture from an atomic perspective

By: D. Brenner & O. Shenderova

Source: NC State University Libraries
Added: August 6, 2018

2015 journal article

Tribological properties of nanodiamonds in aqueous suspensions: effect of the surface charge

RSC ADVANCES, 5(96), 78933–78940.

By: Z. Liu n, D. Leininger n, A. Koolivand n, A. Smirnov  n, O. Shenderova*, D. Brenner n, J. Krim n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: Z. Liu n, D. Leininger n, A. Koolivand n, A. Smirnov n , O. Shenderova*, D. Brenner n, J. Krim n 

Sources: Web Of Science, ORCID
Added: August 6, 2018

2015 article

Tribological properties of polyalphaolefin oil modified with nanocarbon additives

Nunn, N., Mahbooba, Z., Ivanov, M. G., Ivanov, D. M., Brenner, D. W., & Shenderova, O. (2015, April). DIAMOND AND RELATED MATERIALS, Vol. 54, pp. 97–102.

By: N. Nunn *, Z. Mahbooba n, M. Ivanov *, D. Ivanov, D. Brenner n & O. Shenderova*

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
author keywords: Friction modifier; Antiwear additive; Nanotribology; Solid lubricant additives; Nanolubricants; Nanodiamonds; Carbon nanotubes; Nanographite
Source: Web Of Science
Added: August 6, 2018

2014 journal article

Calculated Stability and Structure of Nickel Ferrite Crystal Surfaces in Hydrothermal Environments

JOURNAL OF PHYSICAL CHEMISTRY C, 118(10), 5414–5423.

By: . Christopher J. O'Brien n, Z. Rak n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: . C.J. O'Brien, Z. RΓ‘k n  & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

First principles calculations predict stable 50 nm nickel ferrite particles in PWR coolant

JOURNAL OF NUCLEAR MATERIALS, 454(1-3), 77–80.

By: C. O'Brien n, Z. Rak n , E. Bucholz n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: . C.J. O'Brien  n, Z. RΓ‘k n , E. Bucholz n & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2014 journal article

First-principles investigation of boron defects in nickel ferrite spinel

JOURNAL OF NUCLEAR MATERIALS, 452(1-3), 446–452.

By: Z. Rak n , C. O'Brien  n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: Z. RΓ‘k n , . C.J. O'Brien  n & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2013 review

Challenges to marrying atomic and continuum modeling of materials

[Review of ]. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 17(6), 257–262.

By: D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Multiscale modeling; Molecular modeling; Finite element analysis
Source: Web Of Science
Added: August 6, 2018

2013 journal article

Free energies of (Co, Fe, Ni, Zn) Fe 2 O 4 spinels and oxides in water at high temperatures and pressure from density functional theory: results for stoichiometric NiO and NiFe2O4surfaces

Journal of Physics: Condensed Matter, 25(44), 445008.

By: C. O’Brien  n, Z. RΓ‘k n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: . C.J. O'Brien  n, Z. RΓ‘k n  & D. Brenner n

Sources: Crossref, ORCID
Added: September 11, 2019

2013 journal article

Free energies of (Co, Fe, Ni, Zn)Fe2O4 spinels and oxides in water at high temperatures and pressure from density functional theory: results for stoichiometric NiO and NiFe2O4 surfaces

Journal of Physics. Condensed Matter, 25(44).

By: C. O'Brien, Z. Rak  & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

An angular-dependent embedded atom method (A-EAM) interatomic potential to model thermodynamic and mechanical behavior of Al/Si composite materials

Modelling and Simulation in Materials Science and Engineering, 20(3), 035007.

By: A. Dongare n, B. LaMattina*, D. Irving n, A. Rajendran *, M. Zikry n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: A. Dongare n, B. Lamattina*, D. Irving n, A. Rajendran *, M. Zikry n  & D. Brenner n

Sources: Crossref, ORCID, NC State University Libraries
Added: August 6, 2018

2012 chapter

Bulk Nanostructured Materials

In W. Goddard, D. Brenner, S. Lyshevski, & G. Iafrate (Eds.), Handbook of Nanoscience, Engineering, and Technology (3rd ed.). Boca Raton, FL: CRC Press.

By: C. Koch & D. Brenner

Ed(s): W. Goddard, D. Brenner, S. Lyshevski & G. Iafrate

Source: NC State University Libraries
Added: January 17, 2021

2012 journal article

Electrostatically mediated adsorption by nanodiamond and nanocarbon particles

JOURNAL OF NANOPARTICLE RESEARCH, 14(3).

By: N. Gibson n, T. Luo n, O. Shenderova n, A. Koscheev* & D. Brenner n

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
author keywords: Adsorption; Diamonds; Surface characterization; Surface modification; Nanoparticles; Drug delivery; Biomedical application
Source: Web Of Science
Added: August 6, 2018

2012 journal article

Stimuli-Responsive Polymer Brushes for Flow Control through Nanopores

Journal of Functional Biomaterials, 3(2), 239–256.

By: S. Adiga* & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: smart membranes; signal responsive polymers; polymer brushes; computational modeling; flow control; nanofluidic valve; simulation
Source: Crossref
Added: December 15, 2019

2012 journal article

The Vibrational Properties of Ultrananocrystalline Diamond Based on Molecular dynamics Simulations

MRS Proceedings, 1404.

By: S. Adiga*, V. Adiga *, R. Carpick * & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Crossref
Added: December 15, 2019

2012 journal article

Three decades of many-body potentials in materials research

MRS BULLETIN, 37(5), 469–473.

By: S. Sinnott * & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Deformation mechanisms of an Omega precipitate in a high-strength aluminum alloy subjected to high strain rates

JOURNAL OF MATERIALS RESEARCH, 26(4), 487–497.

By: K. Elkhodary  n, W. Lee n, L. Sun n, D. Brenner n & M. Zikry n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: K. Elkhodary  n, W. Lee n, L. Sun n, D. Brenner n & M. Zikry n 

Sources: Web Of Science, ORCID
Added: August 6, 2018

2011 journal article

Detonation Initiation from Spontaneous Hotspots Formed During Cook-Off Observed in Molecular Dynamics Simulations

JOURNAL OF PHYSICAL CHEMISTRY C, 115(5), 2416–2422.

By: Y. Hu n, D. Brenner n & Y. Shi *

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Dynamic failure behavior of nanocrystalline Cu at atomic scales

Computers Materials & Continua, 24(1), 43–60.

By: A. Dongare, A. Rajendran, B. LaMattina, M. Zikry  & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2011 journal article

First-principles-based mesoscale modeling of the solute-induced stabilization of < 1 0 0 > tilt grain boundaries in an Al-Pb alloy

First-principles-based mesoscale modeling of the solute-induced stabilization of < 1 0 0 > tilt grain boundaries in an Al-Pb alloy. ACTA MATERIALIA, 59(18), 7022–7028.

By: Y. Purohit n, L. Sun n, O. Shenderova*, R. Scattergood n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Disclinations; Grain-boundaries; Nanocrystalline alloys; Multiscale simulations
Source: Web Of Science
Added: August 6, 2018

2011 journal article

Immobilization of mycotoxins on modified nanodiamond substrates

BIOINTERPHASES, 6(4), 210–217.

By: N. Gibson n, T. Luo  n, D. Brenner n & O. Shenderova n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
MeSH headings : Adsorption; Aflatoxin B1 / chemistry; Kinetics; Nanodiamonds / chemistry; Ochratoxins / chemistry; Particle Size; Temperature
Source: Web Of Science
Added: August 6, 2018

2011 book review

Kenny B. Lipkowitz (ed): Reviews in computational chemistry, Volume 27

[Review of Reviews in computational chemistry, Volume 27, by K. B. Lipkowitz]. Structural Chemistry, 22(6), 1397–1399.

By: D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Crossref
Added: August 8, 2021

2011 journal article

Vibrational Properties and Specific Heat of Ultrananocrystalline Diamond: Molecular Dynamics Simulations

JOURNAL OF PHYSICAL CHEMISTRY C, 115(44), 21691–21699.

By: S. Adiga*, V. Adiga *, R. Carpick * & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Atomic and multi-scale modeling of non-equilibrium dynamics at metal–metal contacts

Modelling and Simulation in Materials Science and Engineering, 18(3), 034001.

By: J. Crill n, X. Ji n, D. Irving n, D. Brenner n & C. Padgett *

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2010 journal article

Atomic scale studies of spall behavior in nanocrystalline Cu

Journal of Applied Physics, 108(11), 113518.

By: A. Dongare n, A. Rajendran *, B. LaMattina*, M. Zikry n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: A. Dongare n, A. Rajendran *, B. Lamattina*, M. Zikry n  & D. Brenner n

Sources: Crossref, ORCID, NC State University Libraries
Added: August 6, 2018

2010 journal article

Atomic-Scale Study of Plastic-Yield Criterion in Nanocrystalline Cu at High Strain Rates

METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 41A(2), 523–531.

By: A. Dongare n, A. Rajendran *, B. Lamattina*, D. Brenner n & M. Zikry n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: A. Dongare n, A. Rajendran *, B. Lamattina*, D. Brenner n & M. Zikry n 

Sources: Web Of Science, ORCID
Added: August 6, 2018

2010 journal article

Computational study of the impurity induced reduction of grain boundary energies in nano- and bi-crystalline Al-Pb alloys

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 527(7-8), 1769–1775.

By: Y. Purohit n, L. Sun n, D. Irving n, R. Scattergood n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Segregation; Grain boundary; Grain stabilization; Bi-crystal; Nanostructure; Al; Pb
Source: Web Of Science
Added: August 6, 2018

2010 chapter

Computer Simulation of Nanometer-Scale Indentation and Friction'

In Handbook of Nanotechnology, Third Edition (pp. 955–1012). New York: Springer.

By: S. Sinnott, S. Heo, D. Brenner, J. Harrison & D. Irving

Source: NC State University Libraries
Added: August 6, 2018

2010 conference paper

Deformation of precipitate platelets in high strength aluminum alloys under high strain-rate compression

TMS 2010 139th Annual Meeting & Exhibition - Supplemental Proceedings, vol 2: Materials Characterization, Computation and Modeling and Energy, 47–52.

By: K. Elkhodary, W. Lee, B. Cheeseman, L. Sun, D. Brenner & M. Zikry 

Source: NC State University Libraries
Added: August 6, 2018

2010 article

Fluorescent dye adsorption on nanocarbon substrates through electrostatic interactions

DIAMOND AND RELATED MATERIALS, Vol. 19, pp. 234–237.

By: N. Gibson n, T. Luo  n, O. Shenderova n, Y. Choi  n, Z. Fitzgerald n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Nanoparticle; Nanodiamond; Adsorption; Biomaterial; Surface modification
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Molecular Basis for Neurofilament Heavy Chain Side Arm Structure Modulation by Phosphorylation

JOURNAL OF PHYSICAL CHEMISTRY C, 114(12), 5410–5416.

By: S. Adiga n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2010 journal article

Tension–compression asymmetry in nanocrystalline Cu: High strain rate vs. quasi-static deformation

Computational Materials Science, 49(2), 260–265.

By: A. Dongare n, A. Rajendran*, B. LaMattina*, M. Zikry n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: A. Dongare n, A. Rajendran*, B. Lamattina*, M. Zikry n  & D. Brenner n

author keywords: Molecular dynamics; Nanocrystalline metals; Tension-compression asymmetry; Plastic deformation
Sources: Web Of Science, Crossref, ORCID
Added: August 6, 2018

2009 conference paper

ATOMISTIC STUDIES OF VOID-GROWTH BASED YIELD CRITERIA IN SINGLE CRYSTAL CU AT HIGH STRAIN RATES

1195, 769–772.

By: A. Dongare, A. Rajendran, B. LaMattina, M. Zikry* , D. Brenner*, M. Elert, M. Furnish, W. Anderson, W. Proud, W. Butler

Contributors: A. Dongare, A. Rajendran, B. LaMattina, M. Zikry*  & D. Brenner*

Event: SHOCK COMPRESSION OF CONDENSED MATTER 2009: Proceedings of the American Physical Society Topical Group on Shock Compression of Condensed Matter

Sources: Crossref, ORCID
Added: February 24, 2020

2009 journal article

Atomic scale simulations of ductile failure micromechanisms in nanocrystalline Cu at high strain rates

PHYSICAL REVIEW B, 80(10).

By: A. Dongare n, A. Rajendran *, B. LaMattina*, M. Zikry n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: A. Dongare n, A. Rajendran *, B. Lamattina*, M. Zikry n  & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2009 journal article

Atomistic studies of void-growth based yield criteria in single crystal Cu at high strain rates

Shock Compression of Condensed Matter - 2009, Pts 1 and 2, 1195, 769–772.

By: A. Dongare, A. Rajendran, B. LaMattina, M. Zikry & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

Colloidal stability of modified nanodiamond particles

DIAMOND AND RELATED MATERIALS, 18(4), 620–626.

By: N. Gibson n, O. Shenderova n, T. Luo  n, S. Moseenkov, V. Bondar*, A. Puzyr*, K. Purtov, Z. Fitzgerald n, D. Brenner n

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
author keywords: Biomaterial; Nanoparticle; Nanodiamond; Surface modification; Colloid stability
Source: Web Of Science
Added: August 6, 2018

2009 journal article

Computational study of nanometer-scale self-propulsion enabled by asymmetric chemical catalysis

The Journal of Chemical Physics, 131(1), 014705.

By: Y. Shi *, L. Huang * & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Brownian motion; catalysis; micromotors; molecular dynamics method; nanoelectromechanical devices
Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2009 journal article

Coupled molecular dynamics/continuum simulations of Joule heating and melting of isolated copper-aluminum asperity contacts

Modelling and Simulation in Materials Science and Engineering, 17(1).

By: D. Irving, C. Padgett & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

First-principles investigation of the structure and synergistic chemical bonding of Ag and Mg at the Al vertical bar Omega interface in a Al-Cu-Mg-Ag alloy

ACTA MATERIALIA, 57(12), 3522–3528.

By: L. Sun n, D. Irving n, M. Zikry n  & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: L. Sun n, D. Irving n, M. Zikry n  & D. Brenner n

author keywords: Aluminum alloys; Density functional theory (DFT)
Sources: Web Of Science, ORCID
Added: August 6, 2018

2009 journal article

Integrated experimental, atomistic, and microstructurally based finite element investigation of the dynamic compressive behavior of 2139 aluminum

Journal of Applied Mechanics: Transactions of the ASME, 76(5).

By: K. Elkhodary, L. Sun, D. Irving, D. Brenner, G. Ravichandran & M. Zikry 

Source: NC State University Libraries
Added: August 6, 2018

2009 article

Multiscale Modeling of Metal-Metal Contact Dynamics Under High Electromagnetic Stress: Timescales and Mechanisms for Joule Melting of Al-Cu Asperities

Irving, D. L., Padgett, C. W., Guo, Y., Mintmire, J. W., & Brenner, D. W. (2009, January). IEEE TRANSACTIONS ON MAGNETICS, Vol. 45, pp. 331–335.

By: D. Irving n, C. Padgett*, Y. Guo*, J. Mintmire* & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Asperity; Joule heating; molecular dynamics simulations; multiscale modeling
Source: Web Of Science
Added: August 6, 2018

2009 journal article

The Effects of Precipitates and Mn-bearing Particles on the High Strain-Rate Compression of High Strength Aluminum

MRS Proceedings, 1225.

By: K. Elkhodary  n, W. Lee  n, B. Cheeseman*, L. Sun  n, D. Brenner n & M. Zikry n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Crossref
Added: December 16, 2019

2008 conference paper

Atomic scale simulations of orientation of loading axis on the growth of voids at the onset of ductile failure in single crystal Cu

Materials Research Society Symposium Proceedings, 1137, 162–167.

By: A. Dongare, A. Rajendran, B. LaMattina, M. Zikry*  & D. Brenner*

Contributors: A. Dongare, A. Rajendran, B. LaMattina, M. Zikry*  & D. Brenner*

Event: 2008 MRS Fall Meetin

Sources: Crossref, ORCID
Added: December 16, 2019

2008 article

Atomistic modeling of the segregation of lead impurities to a grain boundary in an aluminum bicrystalline solid

Purohit, Y., Jang, S., Irving, D. L., Padgett, C. W., Scattergood, R. O., & Brenner, D. W. (2008, October 15). MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 493, pp. 97–100.

By: Y. Purohit n, S. Jang n, D. Irving n, C. Padgett*, R. Scattergood n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: bicrystal; Monte Carlo; segregation; grain boundary energy; grain growth
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Coupled molecular dynamics/continuum simulations of Joule heating and melting of isolated copper–aluminum asperity contacts

Modelling and Simulation in Materials Science and Engineering, 17(1), 015004.

By: D. Irving n, C. Padgett * & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Crossref
Added: November 15, 2020

2008 journal article

Influence of Pb segregation on the deformation of nanocrystalline Al: Insights from molecular simulations

ACTA MATERIALIA, 56(17), 4750–4761.

By: S. Jang n, Y. Purohit n, D. Irving n, C. Padgett n, D. Brenner n & R. Scattergood n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: MD simulations; MC simulations; Al-Pb alloys; Nanocrystalline materials; Plastic deformation
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Jetting and detonation initiation in shock induced collapse of nanometer-scale voids

JOURNAL OF PHYSICAL CHEMISTRY C, 112(16), 6263–6270.

By: Y. Shi  n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2008 journal article

MEMS Lubrication: An atomistic perspective of a bound+ mobile lubricant'

Materials Research Society Symposium Proceedings, 1052, 29–34.

By: D. Irving & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2008 conference paper

Modeling the Effect of Varying Electrical Voltage on the Plastic Deformation of a Single Asperity in Hot-Switched RF MEMS Contacts

Materials Research Society Symposium Proceedings, 1137, 185–190.

By: J. Crill, D. Irving, C. Padgett, M. Zikry & D. Brenner*

Contributors: J. Crill, D. Irving, C. Padgett, M. Zikry*  & D. Brenner*

Event: 2008 MRS Fall Meetin

Sources: Crossref, ORCID
Added: December 16, 2019

2008 journal article

Molecular Simulation of the Influence of Interface Faceting on the Shock Sensitivity of a Model Plastic Bonded Explosive

JOURNAL OF PHYSICAL CHEMISTRY B, 112(47), 14898–14904.

By: Y. Shi  n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2008 article

Molecular dynamics simulations of deformation in nanocrystalline Al-Pb alloys

Jang, S., Purohit, Y., Irving, D., Padgett, C., Brenner, D., & Scattergood, R. O. (2008, October 15). MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 493, pp. 53–57.

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: MD straining simulation; Al-Pb alloys; grain boundary segregation
Source: Web Of Science
Added: August 6, 2018

2008 journal article

Prediction of Energies of <100> Tilt Boundaries in Al-Pb Alloy

Materials Research Society Symposium Proceedings, 1056E, 1056–HH01-105610.

By: Y. Purohit, D. Irving, R. Scattergood & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2008 article

Strengthening mechanisms in nanocrystalline alloys

Scattergood, R. O., Koch, C. C., Murty, K. L., & Brenner, D. (2008, October 15). MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, Vol. 493, pp. 3–11.

By: R. Scattergood n, C. Koch n, K. Murty n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: nanocrystalline alloys; strengthening mechanisms; Orowan model
Source: Web Of Science
Added: August 6, 2018

2008 journal article

The role of creep in the time-dependent resistance of Ohmic gold contacts in radio frequency microelectromechanical system devices

Journal of Applied Physics, 104(2), 024513.

By: O. Rezvanian n, C. Brown n, M. Zikry n , A. Kingon n, J. Krim n , D. Irving n, D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: O. Rezvanian n, C. Brown n, M. Zikry n , A. Kingon n, J. Krim n , D. Irving n, D. Brenner n

Sources: Crossref, ORCID, NC State University Libraries
Added: August 6, 2018

2007 review

Carbon nanostructures: Morphologies and properties

[Review of ]. Journal of Computational and Theoretical Nanoscience, 4(2), 199–221.

By: Y. Hu*, O. Shenderova* & D. Brenner*

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

Hierarchical modeling of nanoindentation and microstructural evolution of face-centered cubic gold aggregates

JOURNAL OF MATERIALS RESEARCH, 22(3), 627–643.

By: J. Ma n, M. Zikry , W. Ashamwi n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: J. Ma n, M. Zikry , W. Ashamwi n & D. Brenner n

Sources: Web Of Science, ORCID
Added: August 6, 2018

2007 journal article

Multiscale analysis of liquid lubrication trends from industrial machines to micro-electrical-mechanical systems

LANGMUIR, 23(18), 9253–9257.

By: D. Brenner n, D. Irving n, A. Kingon n, J. Krim n  & C. Padgett *

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: D. Brenner n, D. Irving n, A. Kingon n, J. Krim n  & C. Padgett *

Sources: Web Of Science, ORCID
Added: August 6, 2018

2007 journal article

Simulated thermal decomposition and detonation of nitrogen cubane by molecular dynamics

The Journal of Chemical Physics, 127(13), 134503.

By: Y. Shi  n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2007 journal article

The adsorption of aflatoxin B1 by detonation-synthesis nanodiamonds

DOKLADY BIOCHEMISTRY AND BIOPHYSICS, 417(1), 299–301.

By: A. Puzyr*, K. Purtov, O. Shenderova*, M. Luo n, D. Brenner n & V. Bondar*

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
MeSH headings : Adsorption; Aflatoxin B1 / chemistry; Hydrogen-Ion Concentration; Nanoparticles / chemistry; Spectrophotometry
Source: Web Of Science
Added: August 6, 2018

2007 journal article

Toward designing smart nanovalves: Modeling of flow control through nanopores via the helix-coil transition of grafted polypeptide chains

MACROMOLECULES, 40(4), 1342–1348.

By: S. Adiga n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Ab initio study of the role of entropy in the kinetics of acetylene production in filament-assisted diamond growth environments

JOURNAL OF PHYSICAL CHEMISTRY A, 110(1), 132–140.

By: Y. Li n, D. Brenner n, X. Dong * & C. Sun *

co-author countries: China πŸ‡¨πŸ‡³ United States of America πŸ‡ΊπŸ‡Έ
MeSH headings : Alkynes / chemical synthesis; Alkynes / chemistry; Diamond / chemistry; Entropy; Free Radicals / chemistry; Hydrogen / chemistry; Kinetics; Methane / chemistry; Models, Chemical; Pressure; Quantum Theory; Temperature
Source: Web Of Science
Added: August 6, 2018

2006 review

Carbon nanostructures for advanced composites

[Review of ]. REPORTS ON PROGRESS IN PHYSICS, 69(6), 1847–1895.

By: Y. Hu n, O. Shenderova n, Z. Hu n, C. Padgett n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Diffusion on a self-assembled monolayer: Molecular modeling of a bound plus mobile lubricant

JOURNAL OF PHYSICAL CHEMISTRY B, 110(31), 15426–15431.

By: D. Irving n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2006 journal article

Influence of trace precursors on mass transport and growth rate during sublimation deposition of AlN crystal

Journal of Applied Physics, 100(8), 084901.

By: Y. Li  n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Sources: Crossref, NC State University Libraries
Added: August 6, 2018

2006 journal article

STM, QCM, and the windshield wiper effect: A joint theoretical-experimental study of adsorbate mobility and lubrication at high sliding rates

LANGMUIR, 22(23), 9606–9609.

By: M. Abdelmaksoud n, S. Lee n, C. Padgett n, D. Irving n, D. Brenner n & J. Krim n 

co-author countries: United States of America πŸ‡ΊπŸ‡Έ

Contributors: M. Abdelmaksoud n, S. Lee n, C. Padgett n, D. Irving n, D. Brenner n & J. Krim n 

Sources: Web Of Science, ORCID
Added: August 6, 2018

2006 journal article

Thermal conductivity of diamond nanorods: Molecular simulation and scaling relations

NANO LETTERS, 6(8), 1827–1831.

By: C. Padgett n, O. Shenderova n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
MeSH headings : Computer Simulation; Diamond / analysis; Diamond / chemistry; Hot Temperature; Models, Chemical; Models, Molecular; Nanotechnology / methods; Nanotubes / analysis; Nanotubes / chemistry; Nanotubes / ultrastructure; Thermal Conductivity; Thermodynamics
Source: Web Of Science
Added: August 6, 2018

2005 journal article

A continuum-atomistic method for incorporating Joule heating into classical molecular dynamics simulations

MOLECULAR SIMULATION, 31(11), 749–757.

By: C. Padgett n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: Joule heating; Molecular simulation; Multi-scale modeling; Electron wind
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Ad hoc continuum-atomistic thermostat for modeling heat flow in molecular dynamics simulations

MOLECULAR SIMULATION, 31(4), 283–288.

By: J. Schall*, C. Padgett* & D. Brenner*

author keywords: molecular dynamics simulation; molecular heat flow; continuum-atomistic thermostat; continuum
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Diamond nanorods

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 23(6), 2457–2464.

By: O. Shenderova*, C. Padgett n, Z. Hu n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2005 journal article

Flow Control through Polymer-Grafted Smart Nanofluidic Channels:Β  Molecular Dynamics Simulations

Nano Letters, 5(12), 2509–2514.

By: S. Adiga n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
MeSH headings : Computer Simulation; Computer-Aided Design; Equipment Design; Equipment Failure Analysis; Microfluidics / instrumentation; Microfluidics / methods; Models, Chemical; Models, Molecular; Motion; Nanotechnology / instrumentation; Nanotechnology / methods; Polymers / chemistry; Solvents / chemistry
Source: Crossref
Added: August 28, 2020

2005 journal article

Self-consistent tight binding model adapted for hydrocarbon systems

MOLECULAR SIMULATION, 31(8), 585–595.

By: D. Areshkin*, O. Shenderova*, J. Schall* & D. Brenner*

author keywords: fitting eigenvalue spectra; fitting electron densities; DF-TB
Source: Web Of Science
Added: August 6, 2018

2004 journal article

A self-consistent tight binding model for hydrocarbon systems: application to quantum transport simulation

JOURNAL OF PHYSICS-CONDENSED MATTER, 16(39), 6851–6866.

By: D. Areshkin n, O. Shenderova n, J. Schall n, S. Adiga n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Atomistic simulation of the influence of pre-existing stress on the interpretation of nanoindentation data

JOURNAL OF MATERIALS RESEARCH, 19(11), 3172–3180.

By: J. Schall n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Electron emission properties of detonation nanodiamonds

PHYSICS OF THE SOLID STATE, 46(4), 657–661.

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Electronic properties of diamond clusters: self-consistent tight binding simulation

DIAMOND AND RELATED MATERIALS, 13(10), 1826–1833.

By: D. Areshkin n, O. Shenderova n, S. Adiga n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: diamond clusters; field emission; electron affinity
Source: Web Of Science
Added: August 6, 2018

2004 journal article

First principles prediction of the gas-phase precursors for AlN sublimation growth

PHYSICAL REVIEW LETTERS, 92(7).

By: Y. Li n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Influence of chemisorption on the thermal conductivity of single-wall carbon nanotubes

NANO LETTERS, 4(6), 1051–1053.

By: C. Padgett n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2004 journal article

Model for the influence of boron impurities on the morphology of AIN grown by physical vapor transport

SURFACE SCIENCE, 560(1-3), L202–L206.

By: D. Brenner n, R. Schlesser n, Z. Sitar n, R. Dalmau n, R. Collazo n  & Y. Li n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: nitrides; boron; growth; surface structure; morphology; roughness; and topography
Sources: Web Of Science, ORCID
Added: August 6, 2018

2004 journal article

The atomic computer simulation of triple junctions of special tilt boundaries in nickel

Physics of Metals and Metallography, 98(4), 339–343.

By: A. Nazarov, O. Shenderova & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

Bonding and stability of hybrid diamond/nanotube structures

MOLECULAR SIMULATION, 29(4), 259–268.

By: O. Shenderova n, D. Areshkin n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: hybrid structures; diamond; nanotube; bonding and stability
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Convergence acceleration scheme for self-consistent orthogonal-basis-set electronic structure methods

MOLECULAR SIMULATION, 29(4), 269–286.

By: D. Areshkin n, O. Shenderova n, J. Schall n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: convergence acceleration scheme; Newton-Raphson algorithm; self-consistent orthogonal-basis-set electronic structure method; HOMO-LUMO gap
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Diffusion-accomodated rigid-body translations along grain boundaries in nanostructured materials

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 359(1-2), 247–252.

By: D. Bachurin *, A. Nazarov, O. Shenderova n & D. Brenner n

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
author keywords: grain boundary; nanocrystalline materials; grain boundary diffusion
Source: Web Of Science
Added: August 6, 2018

2003 journal article

On the origin and energy of triple junction defects due to the finite length of grain boundaries

INTERFACE SCIENCE, 11(4), 417–424.

By: A. Nazarov, D. Bachurin *, O. Shenderova n & D. Brenner n

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
author keywords: grain boundary; triple junction; grain boundary dislocation; disclination; nanocrystal
Source: Web Of Science
Added: August 6, 2018

2003 journal article

The stress-strain behavior of polymer-nanotube composites from molecular dynamics simulation

COMPOSITES SCIENCE AND TECHNOLOGY, 63(11), 1655–1661.

By: S. Frankland*, V. Harik*, G. Odegard *, D. Brenner n & T. Gates*

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: polymer-matrix composites (PMCs); mechanical properties; stress/strain curves; computational simulation; carbon nanotubes
Source: Web Of Science
Added: August 6, 2018

2003 journal article

Would diamond nanorods be stronger than fullerene nanotubes?

NANO LETTERS, 3(6), 805–809.

By: O. Shenderova n, D. Brenner n & R. Ruoff  n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2002 journal article

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

JOURNAL OF PHYSICS-CONDENSED MATTER, 14(4), 783–802.

By: D. Brenner n, O. Shenderova n, J. Harrison *, S. Stuart*, B. Ni* & S. Sinnott *

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2002 journal article

Atomic modeling of carbon-based nanostructures as a tool for developing new materials and technologies

Computer Modeling in Engineering & Sciences : CMES, 3(5), 643–673.

By: D. Brenner, O. Shenderova, D. Areshkin, J. Schall & S. Frankland

Source: NC State University Libraries
Added: August 6, 2018

2002 chapter

Atomistic simulation of grain boundaries, triple junctions and related disclinations

In Local lattice rotations and disclinations in microstructures of distorted crystalline materials: Proceedings of the International Workshop on local lattice rotations and disclinations in microstructures of distorted crystalline materials, held at Rauschenbach/Erzgebirge, April 10-14, 2000 (Solid state phenomena ; v. 87) (Vol. 87, pp. 205–213). Switzerland: Scitech; Enfield, N.H.: Distributed in the Americas by Trans Tech.

By: O. Shenderova & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

2002 review

Carbon nanostructures

[Review of ]. CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES, 27(3-4), 227–356.

By: O. Shenderova n, . Zhirnov  n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2002 review

Mechanical and electrical properties of nanotubes

[Review of ]. ANNUAL REVIEW OF MATERIALS RESEARCH, 32(2002), 347-+.

By: J. Bernholc n , D. Brenner n, M. Nardelli n, V. Meunier n & C. Roland n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: composites; deformation; STM images; STS spectra
Sources: Web Of Science, ORCID
Added: August 6, 2018

2002 personal communication

Molecular simulation of the influence of chemical cross-links on the shear strength of carbon nanotube-polymer interfaces

Frankland, S. J. V., Caglar, A., Brenner, D. W., & Griebel, M. (2002, March 28).

By: S. Frankland n, A. Caglar n, D. Brenner n & M. Griebel  n

co-author countries: Germany πŸ‡©πŸ‡ͺ United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2002 journal article

Virtual molecular design of an environment-responsive nanoporous system

NANO LETTERS, 2(6), 567–572.

By: S. Adiga n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2001 journal article

Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation

CHEMICAL PHYSICS LETTERS, 334(1-3), 18–23.

By: S. Frankland n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2001 article

Predicted structure and electronic properties of individual carbon nanocones and nanostructures assembled from nanocones

Shenderova, O. A., Lawson, B. L., Areshkin, D., & Brenner, D. W. (2001, September). NANOTECHNOLOGY, Vol. 12, pp. 191–197.

By: O. Shenderova n, B. Lawson n, D. Areshkin n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Atomistic modeling of the fracture of polycrystalline diamond

PHYSICAL REVIEW B, 61(6), 3877–3888.

By: O. Shenderova n, D. Brenner n, A. Omeltchenko n, X. Su n & L. Yang  n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

2000 journal article

Elastic models of symmetrical < 002 > and < 011 > tilt grain boundaries in diamond

Elastic models of symmetrical < 002 > and < 011 > tilt grain boundaries in diamond. PHYSICAL REVIEW B, 61(2), 928–936.

By: A. Nazarov, O. Shenderova* & D. Brenner*

co-author countries: Russian Federation πŸ‡·πŸ‡Ί
Source: Web Of Science
Added: August 6, 2018

2000 article

First principles prediction of gas-phase composition and substrate temperature for diamond film growth

MOLECULAR SIMULATION, Vol. 25, pp. 41–51.

co-author countries: China πŸ‡¨πŸ‡³ United States of America πŸ‡ΊπŸ‡Έ
author keywords: chemical vapor deposition; diamond film; hydrogen; methyl; substrate temperature; methane; ab initio; molecular orbital; thermodynamics; calculation; vapor composition
Source: Web Of Science
Added: August 6, 2018

2000 article

Molecular dynamics simulations of carbon nanotube rolling and sliding on graphite

MOLECULAR SIMULATION, Vol. 25, pp. 73–79.

By: J. Schall n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: nanotube; nanotribology; nanomanipulation
Source: Web Of Science
Added: August 6, 2018

2000 article

Nanoindentation as a probe of nanoscale residual stresses: Atomistic simulation results

MOLECULAR SIMULATION, Vol. 25, pp. 81-+.

By: O. Shenderova n, J. Mewkill n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: nanoindentation; residual stresses; gold; simulation
Source: Web Of Science
Added: August 6, 2018

2000 article

Novel simulation tools for materials engineering education

MOLECULAR SIMULATION, Vol. 25, pp. 121–130.

By: A. Tragler n, L. Srinivasan  n, O. Shenderova n, M. McClauren n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: virtual reality; haptic
Source: Web Of Science
Added: August 6, 2018

2000 journal article

On the disclination-structural unit model of grain boundaries

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 281(1-2), 148–155.

By: A. Nazarov, O. Shenderova n & D. Brenner n

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
author keywords: dislocation; disclination; grain boundaries; structural units
Source: Web Of Science
Added: August 6, 2018

2000 article

Properties of polycrystalline diamond: Multiscale modeling approach

MOLECULAR SIMULATION, Vol. 24, pp. 197–207.

By: O. Shenderova n, D. Brenner n, A. Omeltchenko*, X. Su*, L. Yang * & A. Nazarov

co-author countries: Russian Federation πŸ‡·πŸ‡Ί United States of America πŸ‡ΊπŸ‡Έ
author keywords: diamond; grain boundaries; fracture properties; electronic properties; simulation; polycrystalline diamond; multiscale modeling approach
Source: Web Of Science
Added: August 6, 2018

2000 journal article

The art and science of an analytic potential

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 217(1), 23–40.

By: D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Atomistic simulations of structures and mechanical properties of < 011 > tilt grain boundaries and their triple junctions in diamond

Atomistic simulations of structures and mechanical properties of < 011 > tilt grain boundaries and their triple junctions in diamond. PHYSICAL REVIEW B, 60(10), 7053–7061.

By: O. Shenderova n & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Atomistic simulations of structures and mechanical properties of polycrystalline diamond: Symmetrical < 001 > tilt grain boundaries

Atomistic simulations of structures and mechanical properties of polycrystalline diamond: Symmetrical < 001 > tilt grain boundaries. PHYSICAL REVIEW B, 60(10), 7043–7052.

By: O. Shenderova n, D. Brenner n & L. Yang  n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

1999 journal article

Mechanical properties of nanotubule fibers and composites determined from theoretical calculations and simulations (vol 36, pg 1, 1998)

Carbon, 37(2), 347.

By: S. Sinnott, O. Shenderova, C. White & D. Brenner

Source: NC State University Libraries
Added: August 6, 2018

1999 journal article

Predictions of enhanced chemical reactivity at regions of local conformational strain on carbon nanotubes: Kinky chemistry

JOURNAL OF PHYSICAL CHEMISTRY B, 103(21), 4330–4337.

By: D. Srivastava *, D. Brenner*, J. Schall*, K. Ausman, M. Yu & R. Ruoff

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Mechanical properties of nanotubule fibers and composites determined from theoretical calculations and simulations

CARBON, 36(1-2), 1–9.

By: S. Sinnott *, O. Shenderova n, C. White* & D. Brenner n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
author keywords: nanotubes; carbon composites; diamond; molecular simulation; mechanical properties
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Multiscale modeling approach for calculating grain-boundary energies from first principles

PHYSICAL REVIEW B, 57(6), R3181–R3184.

By: O. Shenderova n, D. Brenner n, A. Nazarov, A. Romanov & L. Yang  n

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

1998 journal article

Virtual design and analysis of nanometer-scale sensor and device components

Journal of the British Interplanetary Society, 51(1998), 137–144.

By: D. Brenner, J. Schall, J. Mewkill, O. Shenderova & S. Sinnott

Source: NC State University Libraries
Added: August 6, 2018

1997 article

Atomistic simulations of the nanometer-scale indentation of amorphous-carbon thin films

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A-VACUUM SURFACES AND FILMS, Vol. 15, pp. 936–940.

By: S. Sinnott *, R. Colton*, C. White*, O. Shenderova n, D. Brenner n & J. Harrison *

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Web Of Science
Added: August 6, 2018

1989 journal article

Chemical model for intrinsic detonation velocities

International Journal of Quantum Chemistry, 36(S23), 333–337.

By: D. Brenner*, C. White*, M. Elert* & F. Walker*

co-author countries: United States of America πŸ‡ΊπŸ‡Έ
Source: Crossref
Added: August 8, 2021

Citation Index includes data from a number of different sources. If you have questions about the sources of data in the Citation Index or need a set of data which is free to re-distribute, please contact us.

Certain data included herein are derived from the Web of ScienceΒ© and InCitesΒ© (2024) of Clarivate Analytics. All rights reserved. You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.