Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
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Chemical bonding, elasticity, and valence force field models: A case study for α − Pt 2 Si and PtSiNanocatalyst shape and composition during nucleation of single-walled carbon nanotubesRelationship between the embedded-atom method and Tersoff potentialsDirect Antisite Formation in Electron Irradiation of GaAsAnalytic bond-order potentials beyond Tersoff-Brenner. I. TheoryStructural properties of self-organized semiconductor nanostructuresSwift chemical sputtering of amorphous hydrogenated carbonEnhancement of thermoelectric performance by reducing phonon thermal conductance in multiple core-shell nanowiresCritical length scale controls adhesive wear mechanismsThermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures.Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration.Phonon properties of graphene derived from molecular dynamics simulations.Biaxial compressive strain engineering in graphene/boron nitride heterostructures.Anisotropy of Single-Crystal Silicon in Nanometric Cutting.Computational design of apolipoprotein E4 inhibitors for Alzheimer's disease therapy from traditional Chinese medicine.Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations.High-performance multi-functional reverse osmosis membranes obtained by carbon nanotube·polyamide nanocomposite.Molecular dynamics investigations of mechanical behaviours in monocrystalline silicon due to nanoindentation at cryogenic temperatures and room temperature.Structure and Thermal Stability of Co- and Fe - Intercalated Double Silicene Layers.Conjunction of standing wave and resonance in asymmetric nanowires: a mechanism for thermal rectification and remote energy accumulation.The bouncing threshold in silica nanograin collisions.Thermodynamic Complexing of Monocyclopentadienylferrum (II) Intercalates with Double-Walled Carbon Nanotubes.Size-dependent bending modulus of nanotubes induced by the imperfect boundary conditionsNanometric Cutting of Silicon with an Amorphous-Crystalline Layered Structure: A Molecular Dynamics Study.Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interfaceComputational Evaluation of Amorphous Carbon Coating for Durable Silicon Anodes for Lithium-Ion Batteries.Modeling of amorphous SiCxO6/5 by classical molecular dynamics and first principles calculations.Classical reactive molecular dynamics implementations: state of the art.Surface orientation effects in crystalline-amorphous silicon interfaces.MDTS: automatic complex materials design using Monte Carlo tree searchAtomistic modeling of BN nanofillers for mechanical and thermal properties: a review.On the debris-level origins of adhesive wear.Wettability of graphitic-carbon and silicon surfaces: MD modeling and theoretical analysis.A novel crystallization pathway for SiGe alloy rapid cooling.Bilateral substrate effect on the thermal conductivity of two-dimensional silicon.Nanoscale phononic interconnects in THz frequencies.Perspective: Machine learning potentials for atomistic simulations.Phonon thermal properties of graphene from molecular dynamics using different potentials.Evaluation of the grand-canonical partition function using expanded Wang-Landau simulations. IV. Performance of many-body force fields and tight-binding schemes for the fluid phases of silicon.First principles-based multiparadigm, multiscale strategy for simulating complex materials processes with applications to amorphous SiC films.
P2860
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P2860
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
description
1989 nî lūn-bûn
@nan
1989 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
1989 թվականի մարտին հրատարակված գիտական հոդված
@hy
1989年の論文
@ja
1989年論文
@yue
1989年論文
@zh-hant
1989年論文
@zh-hk
1989年論文
@zh-mo
1989年論文
@zh-tw
1989年论文
@wuu
name
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@ast
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@en
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@nl
type
label
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@ast
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@en
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@nl
prefLabel
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@ast
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@en
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@nl
P3181
P356
P1433
P1476
Modeling solid-state chemistry: Interatomic potentials for multicomponent systems
@en
P2093
P304
P3181
P356
10.1103/PHYSREVB.39.5566
P407
P577
1989-03-01T00:00:00Z