Empirical interatomic potential for silicon with improved elastic properties.

No abstract is available for this paper.

• Publication year

  1988

• Venue

  Physical Review B (Condensed Matter)

• Publication date

  1988-11-15

• Fields of study

  Materials Science, Physics, Medicine

• Identifiers
  DOI 10.1103/PHYSREVB.38.9902PMID 9945814
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• New empirical approach for the structure and energy of covalent systems.

  1988cited by this paper
• Energy and vibrational spectrum of the Si(111) (7 x 7) surface from empirical potentials.

  1988cited by this paper
• Glassy quasithermal distribution of local geometries and defects in quenched amorphous silicon.

  1988cited by this paper
• Development of a many-body Tersoff-type potential for silicon.

  1987cited by this paper
• Application of the embedded-atom method to covalent materials: A semiempirical potential for silicon.

  1987cited by this paper
• Stability and electronic properties of complex structures of silicon and carbon under pressure: Density-functional calculations.

  1987cited by this paper
• Amorphous-silicon formation by rapid quenching: A molecular-dynamics study.

  1987cited by this paper
• New empirical model for the structural properties of silicon.

  1986cited by this paper
• Diffusion without vacancies or interstitials: A new concerted exchange mechanism.

  1986cited by this paper
• Origin of surface states on Si(111)(7 x 7).

  1986cited by this paper
• Microscopic theory of impurity-defect reactions and impurity diffusion in silicon.

  1985cited by this paper
• Phonon spectra of diamond and zinc-blende semiconductors.

  1985cited by this paper

• The thermal conductivity of van der Waals hexagonal boron nitride/graphene heterostructure: A combined equilibrium molecular dynamics (EMD) and density functional theory (DFT) study

  2026cites this paper
• Interatomic potentials for platinum

  2026cites this paper
• Generative Inverse Estimation of 3D Atomic Coordination from Near-Edge Spectra via Equivariant Diffusion Models

  2026influential citation
• Fast and accurate quasi-atom method for simultaneous atomistic and continuum simulation of solids

  2026cites this paper
• Molecular dynamics insights into the tribological performance of diamond nanoparticles on ideal and defective surfaces

  2026cites this paper
• Structural origins of thermal expansion behavior in 2D materials

  2026cites this paper
• Machine learning interatomic potentials for monolayer hexagonal boron nitride: Thermal transport and defect effects via deep potential molecular dynamics

  2026cites this paper
• Quantifying the impact of interatomic potentials on silicon fracture simulations using unified mode-I test platforms

  2026cites this paper
• Molecular dynamics study of silicon nitride thin film growth on nanoscale structures by plasma enhanced chemical vapor deposition

  2026cites this paper
• The effect of normal stress on stacking fault energy in face-centered cubic metals

  2026cites this paper
• Breaking the Barriers of Molecular Dynamics With Deep‐Learning: Opportunities, Pitfalls, and How to Navigate Them

  2026cites this paper
• Accurate Deep Potential Model of Temperature-Dependent Elastic Constants for Phosphorus-Doped Silicon

  2025cites this paper
• Tuning friction behaviors of supported nanofilms via multiscale roughness of underlying substrate

  2025cites this paper
• Investigating the effects of reinforcement size on mechanical properties of a cracked CNT and GNP polymer reinforced nanocomposite plate

  2025cites this paper
• Study on Nano-Grinding Characteristics and Formation Mechanism of Subsurface Damage in Monocrystalline Silicon

  2025cites this paper
• Atomistic simulation of crack tip shielding effect due to embedded nanoparticles in amorphous carbon

  2025cites this paper
• Impact of rake angle on nanometric cutting of single crystal silicon: a molecular dynamics study

  2025cites this paper
• Ignition dynamics in glycolaldehyde flame catalyzed by Na and Mg ions: a theoretical multiscale approach

  2025cites this paper
• Multiscale approach to investigate the effects of proton-induced defects in silicon lattice structures

  2025cites this paper
• Vibrational behavior of Stacked Boron Nitride/Graphene Heterogeneous Layers: A Comprehensive Atomistic Simulation Study

  2025cites this paper
• Mechanisms of Reduced Surface Mobility in Liquid Silicon.

  2025cites this paper
• Evidence of underlying structural similarities of amorphous materials

  2025cites this paper
• Unveiling ultrafast dynamics: atomistic-continuum modeling of laser-induced phase transitions in silicon.

  2025cites this paper
• Decoding complexity in chemical vapor deposition processes of two-dimensional materials via atomistic modeling.

  2025cites this paper
• Research on anisotropy of elliptical vibration-assisted nano-cutting of single crystal silicon

  2025cites this paper
• Molecular mechanics study on mechanical load transfer of dielectric layer to copper pad

  2025cites this paper
• Unravelling the threshold displacement energy of TaC using ab initio molecular dynamics simulation

  2025cites this paper
• Study on the interfacial thermal resistance in the back-end-of-line of chips

  2025cites this paper
• Global structure searches under varying temperatures and pressures using polynomial machine learning potentials: A case study on silicon

  2025influential citation
• Hybrid Quantum-Classical Machine Learning Potential with Variational Quantum Circuits

  2025cites this paper
• Development and application of a high-dimensional neural network potential for boron carbide

  2025cites this paper
• Revealing the Water Structure at Neutral and Charged Graphene/Water Interfaces through Quantum Simulations of Sum Frequency Generation Spectra.

  2025cites this paper
• Surface reconstruction enhanced interfacial thermal conductance between CsPbI<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si51.svg" display="inline" id="d1e404"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math> and graphene

  2025cites this paper
• Phase formation prediction in magnetron sputtered Cu(Ti)Zn thin films: Numerical vs experimental approaches

  2025cites this paper
• Brittle and Ductile Deformations in Uniaxial Compression of Si Micropillars

  2025cites this paper
• Morphology dominated deformation mechanism of ultrahard nanostructured diamond

  2025cites this paper
• Molecular dynamics simulation of quartz deformation under slow earthquake background

  2025cites this paper
• Thermal conductivity analysis on computationally designed single-walled carbon nanotubes (SWCNTs) by chirality variations

  2025cites this paper
• Hybrid Plasma Spray Synthesis of Spherical Si0.8Ge0.2 Alloy Nanoparticles for Lithium-Ion Battery Anodes

  2025cites this paper
• Chemical Adsorption-induced Distinct Friction Behaviors of Supported Atomically Thin Nanofilm

  2025cites this paper
• Evolutionary algorithms applied to minimize the thermal transport in atomic nanoribbons

  2025cites this paper
• Programmable Strainscapes in a Two-Dimensional (2D) Material Monolayer.

  2025cites this paper
• Geometric formulation of residual stress propagation in diamond lattice substrate

  2025cites this paper
• Effects of geometric parameters and wettability on pattern collapse in nanoscale systems.

  2025cites this paper
• Multi-scale simulation of displacement damage of spatially-correlated recoiled atoms in silicon

  2025cites this paper
• Incipient Plasticity of Si and GaAs: Review and Perspectives

  2025cites this paper
• Delivery of cisplatin confined into pure and doped C240 fullerene: A molecular dynamics simulation study.

  2025cites this paper
• Mechanism Analysis and Potential Applications of Atomic Oxygen Erosion Protection for Kapton-Type Polyimide Based on Molecular Dynamics Simulations

  2024cites this paper
• Shaping sub-10 nm metallic nanogaps by laser shock-induced extreme plasticity

  2024cites this paper
• Investigation of thermal conductivity and mechanical properties in multi-layer of graphene and graphene oxide: a molecular dynamics study

  2024cites this paper
• Advances in developing cost-effective carbon fibers by coupling multiscale modeling and experiments: A critical review

  2024cites this paper
• Cluster-Assisted Mesoplasma Chemical Vapor Deposition for Fast Epitaxial Growth of SiGe/Si Heterostructures: A Molecular Dynamics Simulation Study

  2024cites this paper
• Study on the control of electrowetting and permeation of ionic liquids on porous substrates via molecular dynamics simulations

  2024cites this paper
• A supervised learning-assisted multi-scale study for thermal and mechanical behavior of porous Silica

  2024cites this paper
• Predicting density-related mechanical properties of amorphous silicon nitride using molecular dynamics simulations

  2024cites this paper
• High-efficiency TOPCon solar cell with superior P + and P++ layer via one-step processing

  2024cites this paper
• Quantum inspired approach for denoising with application to medical imaging

  2024cites this paper
• Investigation of the mechanical characteristics and thermal behavior of a polymer matrix by addition of different graphene oxide nanosheets: A molecular dynamics simulation

  2024cites this paper
• A novel perspective on denoising using quantum localization with application to medical imaging

  2024cites this paper
• Analysis of atomic oxygen erosion resistance mechanism of polyimide composite materials enhanced by polyhydroxysilylazane

  2024cites this paper
• Pseudo-catalytic kinetics induced by electron withdrawal of Na ions for cellulose activation: A theoretical multiscale study

  2024cites this paper
• Grain boundaries in polycrystalline materials for energy applications: First principles modeling and electron microscopy

  2024cites this paper
• Correcting force error-induced underestimation of lattice thermal conductivity in machine learning molecular dynamics.

  2024cites this paper
• Investigating the binding and mechanical properties of carbon nanotube-encapsulated Si nanowires: A perspective from atomic simulations

  2024cites this paper
• Determining the thermal conductivity and phonon behavior of SiC materials with quantum accuracy via deep learning interatomic potential model

  2024cites this paper
• Development of mesoporous abrasives and its unprecedented polishing performance elucidated by a novel atomic model

  2024cites this paper
• Advances in boron nitride-based nanomaterials for environmental remediation and water splitting: a review

  2024cites this paper
• From electrons to phase diagrams with classical and machine learning potentials: automated workflows for materials science with pyiron

  2024cites this paper
• Influence of oxygen functional groups on the crack growth behavior of graphene with edge and middle crack: A molecular dynamics study

  2024cites this paper
• Parallel software design of large-scale diamond-structured crystals molecular dynamics simulation

  2024cites this paper
• Development of charge-transfer interatomic potential for O-Fe-P-Zn systems and its application to tribochemical reactions between ZnDTP-derived tribofilm and iron oxide

  2024cites this paper
• From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows

  2024cites this paper
• Molecular dynamics simulation of the effect of temperature on the nanoindentation process of monocrystalline Si

  2024cites this paper
• Molecular dynamics investigation of nano-polishing on silicon carbide substrate with rough topography using a rotating diamond abrasive

  2024cites this paper
• Long-range Tersoff potential for silicon to reproduce 30° partial dislocation migration

  2024cites this paper
• Mechanisms of Atomic Oxygen Erosion in Fluorinated Polyimides Investigated by Molecular Dynamics Simulations

  2024cites this paper
• Multiscale modeling of short pulse laser induced amorphization of silicon

  2024cites this paper
• Study on the Mechanical Properties of beta Silicon Nitride Based on Neural Network Potential

  2024cites this paper
• Atomic level surface on aspheric quartz crucible with large sizes induced by developed green chemical mechanical polishing with composite rare earth oxides

  2024cites this paper
• Spontaneous damage annealing reactions as a possible source of low energy excess in semiconductor detectors

  2024cites this paper
• The deposition properties of the tetrahedral amorphous carbon coating on the piston ring at different incident angles and substrate bias voltages: Molecular dynamics simulation

  2024cites this paper
• Hydrogen under Pressure as a Benchmark for Machine-Learning Interatomic Potentials

  2024cites this paper
• Vibronics of multi-material nanopillared membranes and impact on the thermal conductivity

  2024cites this paper
• Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

  2023cites this paper
• Clarifying the effects of nanoscale porosity of silicon on the bandgap and alignment: a combined molecular dynamics-density functional tight binding computational study.

  2023cites this paper
• Hydrodynamic finite-size scaling of the thermal conductivity in glasses

  2023cites this paper
• Adsorption Studies at the Graphene Oxide–Liquid Interface: A Molecular Dynamics Study

  2023cites this paper
• Intercalated water-induced hysteretic friction behavior of graphene, h-BN, and MoS<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e108" altimg="si45.svg"><mml:msub><mml:mrow /><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>

  2023cites this paper
• Connecting Vibrational Spectroscopy to Atomic Structure via Supervised Manifold Learning: Beyond Peak Analysis

  2023cites this paper
• On the Friction Behavior of SiO2 Tip Sliding on the Au(111) Surface: How Does an Amorphous SiO2 Tip Produce Regular Stick-Slip Friction and Friction Duality?

  2023cites this paper
• Investigation of mechanical and thermal characteristics of epoxy/graphene oxide nanocomposites by molecular dynamics simulation

  2023cites this paper
• Friction hysteretic behavior of supported atomically thin nanofilms

  2023cites this paper
• Thermal Conductivity of Stacked Hexagonal Boron Nitride (hBN) and Graphene – A Molecular Dynamics Approach

  2023cites this paper
• Investigation of vibration of carbon nanotube and quality factor with confined and submerged fluid under hammer impact Test: A molecular dynamics study

  2023cites this paper
• Mechanism of photo-assisted atomic layer etching of chlorinated Si(111) surfaces: Insights from DFT/TDDFT calculations

  2023cites this paper
• A unified moment tensor potential for silicon, oxygen, and silica

  2023cites this paper
• Practical classical molecular dynamics simulations for low-temperature plasma processing: a review

  2023cites this paper
• a-C/GeTe superlattices: Effect of interfacial impedance adaptation modeling on the thermal properties

  2023cites this paper
• Semiconductor Thermal and Electrical Properties Decoupled by Localized Phonon Resonances

  2023cites this paper
• Isotropic models for anisotropic inorganics

  2023cites this paper