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

A 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

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

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

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

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

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

The 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

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

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

A 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

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

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

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

2004 journal article

A 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

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 & 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

2004 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

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, 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

The 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

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

2002 journal article

A 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

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 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

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

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 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