Donald Brenner

Chemistry

Works (119)

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, Z. Rak, J. Braun, C. Rost, G. Kotsonis, P. Hopkins, J. Maria, D. Brenner

Source: NC State University Libraries
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, T. Pardue, L. Su, A. Smirnov, D. Brenner & J. Krim

Source: Web Of Science
Added: August 5, 2019

2019 | journal article

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

ACTA MATERIALIA, 166, 271–280.

By: T. Harrington, J. Gild, P. Sarker, C. Toher, C. Rost, O. Dippo, C. McElfresh, K. Kaufmann ...

Source: Web Of Science
Added: March 11, 2019

2018 | journal article

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

ADVANCED MATERIALS, 30(51).

By: J. Braun, C. Rost, M. Lim, A. Giri, D. Olson, G. Kotsonis, G. Stan, D. Brenner, J. Maria, P. Hopkins

Source: NC State University Libraries
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, J. Maria & D. Brenner

Source: NC State University Libraries
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).

By: Z. Rak & D. Brenner

Source: 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, D. Brenner, K. Vecchio, S. Curtarolo

Source: NC State University Libraries
Added: December 10, 2018

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 & D. Brenner

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

2017 | journal article

How predictable is plastic damage at the atomic scale?

Applied Physics Letters, 110(9).

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

Source: 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, Z. Rak, D. Brenner & J. Maria

Source: NC State University Libraries
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, D. Li, B. Reich & D. Brenner

Source: NC State University Libraries
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, B. Reich & D. Brenner

Source: NC State University Libraries
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).

By: Z. Rak, C. Rost, M. Lim, P. Sarker, C. Toher, S. Curtarolo, J. Maria, D. Brenner

Source: 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, C. O'Brien, D. Shin, A. Andersson, C. Stanek & D. Brenner

Source: NC State University Libraries
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: the Journal of the Minerals, Metals & Materials Society, 68(11), 2912–2921.

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

Source: NC State University Libraries
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, E. Bucholz & D. Brenner

Source: NC State University Libraries
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 & D. Brenner

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

2015 | journal article

New method for extracting diffusion-controlled kinetics from differential scanning calorimetry: Application to energetic nanostructures

Journal of Physical Chemistry. C, 119(25), 14411–14418.

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

Source: 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, D. Leininger, A. Koolivand, A. Smirnov, O. Shenderova, D. Brenner, J. Krim

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

2015 | journal article

Tribological properties of polyalphaolefin oil modified with nanocarbon additives

Diamond and Related Materials, 54, 97–102.

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

Source: NC State University Libraries
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, S. Lu, C. O'Brien, E. Bucholz & Z. Rak

Source: NC State University Libraries
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: C. O'Brien, Z. Rak & D. Brenner

Source: NC State University Libraries
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, Z. Rak, E. Bucholz & D. Brenner

Source: NC State University Libraries
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, C. O'Brien & D. Brenner

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

2013 | review

Challenges to marrying atomic and continuum modeling of materials

Current Opinion in Solid State and Materials Science.

By: D. Brenner

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

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

Electrostatically mediated adsorption by nanodiamond and nanocarbon particles

Journal of Nanoparticle Research, 14(3).

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

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

2012 | journal article

Three decades of many-body potentials in materials research

MRS Bulletin, 37(5), 469–473.

By: S. Sinnott & 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).

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

Source: NC State University Libraries
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, W. Lee, L. Sun, D. Brenner & M. Zikry

Source: NC State University Libraries
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, D. Brenner & Y. Shi

Source: NC State University Libraries
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, L. Sun, O. Shenderova, R. Scattergood & D. Brenner

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

2011 | journal article

Immobilization of mycotoxins on modified nanodiamond substrates

Biointerphases, 6(4), 210–217.

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

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

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

Source: NC State University Libraries
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).

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

Source: 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).

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

Source: 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, A. Rajendran, B. Lamattina, D. Brenner & M. Zikry

Source: NC State University Libraries
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 & Engineering. A, Structural Materials: Properties, Microstructure and Processing, 527(7-8), 1769–1775.

Source: NC State University Libraries
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

In TMS 2010 139th Annual Meeting & Exhibition - Supplemental Proceedings, vol 2: Materials Characterization, Computation and Modeling and Energy (pp. 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 | conference paper

Fluorescent dye adsorption on nanocarbon substrates through electrostatic interactions

In Diamond and Related Materials (Vol. 19, pp. 234–237).

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

Source: NC State University Libraries
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 & D. Brenner

Source: NC State University Libraries
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, A. Rajendran, B. LaMattina, M. Zikry & D. Brenner

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

2009 | journal article

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

Physical Review. B, Condensed Matter and Materials Physics, 80(10).

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

Source: NC State University Libraries
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, O. Shenderova, T. Luo, S. Moseenkov, V. Bondar, A. Puzyr, K. Purtov, Z. Fitzgerald, D. Brenner

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

2009 | journal article

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

Journal of Chemical Physics, 131(1).

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

Source: 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, D. Irving, M. Zikry & D. Brenner

Source: NC State University Libraries
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 | conference paper

Multiscale modeling of metal-metal contact dynamics under high electromagnetic stress: Timescales and mechanisms for joule melting of Al-Cu asperities

In IEEE Transactions on Magnetics (Vol. 45, pp. 331–335).

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

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

2008 | conference paper

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

In Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing (Vol. 493, pp. 97–100).

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

2008 | journal article

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

Acta Materialia, 56(17), 4750–4761.

Source: NC State University Libraries
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 & D. Brenner

Source: NC State University Libraries
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

Molecular dynamics simulations of deformation in nanocrystalline Al-Pb alloys

In Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing (Vol. 493, pp. 53–57).

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

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

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, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 112(47), 14898–14904.

By: Y. Shi & D. Brenner

Source: NC State University Libraries
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 | conference paper

Strengthening mechanisms in nanocrystalline alloys

In Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing (Vol. 493, pp. 3–11).

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

Source: NC State University Libraries
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).

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

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

2007 | review

Carbon nanostructures: Morphologies and properties

Journal of Computational and Theoretical Nanoscience.

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, M. Zikry, W. Ashamwi & D. Brenner

Source: NC State University Libraries
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, D. Irving, A. Kingon & J. Krim

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

2007 | journal article

Simulated thermal decomposition and detonation of nitrogen cubane by molecular dynamics

Journal of Chemical Physics, 127(13).

By: Y. Shi & D. Brenner

Source: NC State University Libraries
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 & D. Brenner

Source: 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, D. Brenner & V. Bondar

Source: NC State University Libraries
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, Molecules, Spectroscopy, Kinetics, Environment & General Theory, 110(1), 132–140.

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

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

2006 | journal article

Carbon nanostructures for advanced composites

Reports on Progress in Physics, 69(6), 1847–1895.

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

Source: NC State University Libraries
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, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 110(31), 15426–15431.

By: D. Irving & D. Brenner

Source: NC State University Libraries
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).

By: Y. Li & D. Brenner

Source: 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.

Source: NC State University Libraries
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, O. Shenderova & D. Brenner

Source: NC State University Libraries
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

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

2005 | journal article

Diamond nanorods

Journal of Vacuum Science & Technology. B, Microelectronics and Nanometer Structures, 23(6), 2457–2464.

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

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

2019 | 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

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

2019 | journal article

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

Molecular Simulation, 31(11), 749–757.

By: C. Padgett & D. Brenner

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

2019 | 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 & D. Brenner

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

2004 | journal article

Electron emission properties of detonation nanodiamonds

Physics of the Solid State, 46(4), 657–661.

Source: NC State University Libraries
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, O. Shenderova, S. Adiga & D. Brenner

Source: NC State University Libraries
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 & D. Brenner

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

2019 | journal article

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

Nano Letters, 4(6), 1051–1053.

By: C. Padgett & D. Brenner

Source: NC State University Libraries
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(03-Jan), L202–206.

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

2019 | 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

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.

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, D. Areshkin & D. Brenner

Source: NC State University Libraries
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, O. Shenderova, J. Schall & D. Brenner

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

2003 | journal article

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

Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing, 359(02-Jan), 247–252.

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

Source: NC State University Libraries
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 & D. Brenner

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

2003 | journal article

Would diamond nanorods be stronger than fullerene nanotubes?

Nano Letters, 3(6), 805–809.

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

Source: NC State University Libraries
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 & T. Gates

Source: NC State University Libraries
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.

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 | journal article

Carbon nanostructures

Critical Reviews in Solid State and Materials Sciences, 27(3-4), 227–356.

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

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

2002 | journal article

Mechanical and electrical properties of nanotubes

Annual Review of Materials Research, 32(2002), 347–375.

Source: NC State University Libraries
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). Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical.

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

Source: NC State University Libraries
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 & D. Brenner

Source: NC State University Libraries
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, O. Shenderova, J. Harrison, S. Stuart, B. Ni & S. Sinnott

Source: NC State University Libraries
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 & D. Brenner

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

2001 | journal article

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

Nanotechnology, 12(3), 191–197.

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

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

2000 | journal article

Atomistic modeling of the fracture of polycrystalline diamond

Physical Review. B, Condensed Matter and Materials Physics, 61(6), 3877–3888.

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

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

2000 | journal article

Elastic models of symmetrical < 001 > and < 011 > tilt grain boundaries in diamond

Elastic models of symmetrical < 001 > and < 011 > tilt grain boundaries in diamond. Physical Review. B, Condensed Matter and Materials Physics, 61(2), 928–936.

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

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

2000 | journal article

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

Molecular Simulation, 25(1-2), 41–51.

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

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

2000 | journal article

Molecular dynamics simulations of carbon nanotube rolling and sliding on graphite

Molecular Simulation, 25(1-2), 73–79.

By: J. Schall & D. Brenner

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

2000 | journal article

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

Molecular Simulation, 25(1/2), 81.

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

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

2000 | journal article

Novel simulation tools for materials engineering education

Molecular Simulation, 25(1-2), 121–130.

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

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

2000 | journal article

On the disclination-structural unit model of grain boundaries

Materials Science & Engineering. A, Structural Materials: Properties, Microstructure and Processing, 281(1-2), 148–155.

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

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

2000 | journal article

Properties of polycrystalline diamond: Multiscale modeling approach

Molecular Simulation, 24(1-3), 197–207.

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

Source: NC State University Libraries
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

Source: NC State University Libraries
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, Condensed Matter and Materials Physics, 60(10), 7053–7061.

By: O. Shenderova & D. Brenner

Source: NC State University Libraries
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, Condensed Matter and Materials Physics, 60(10), 7043–7052.

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

Source: NC State University Libraries
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, Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 103(21), 4330–4337.

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

Source: NC State University Libraries
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, C. White & D. Brenner

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

1998 | journal article

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

Physical Review. B, Condensed Matter and Materials Physics, 57(6), R3181–3184.

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

Source: NC State University Libraries
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 | journal article

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

Journal of Vacuum Science & Technology. A, Vacuum, Surfaces, and Films, 15(3 pt.1), 936–940.

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

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