A new force-constant model for graphite
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July 1977 |
Projector augmented-wave method
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December 1994 |
Analytic bond-order potential for the gallium arsenide system
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January 2006 |
Melt-Growth Dynamics in CdTe Crystals
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June 2012 |
Elastic Moduli of Diamond as a Function of Pressure and Temperature
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July 1972 |
Mechanical properties of connected carbon nanorings via molecular dynamics simulation
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August 2005 |
Elastic Moduli of Diamond
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January 1957 |
Nonequilibrium Route to Nanodiamond with Astrophysical Implications
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February 2012 |
Pseudopotential total-energy study of the transition from rhombohedral graphite to diamond
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July 1986 |
Thermal properties of graphene and nanostructured carbon materials
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August 2011 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
Graphene: Status and Prospects
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June 2009 |
Analytic bond-order potentials beyond Tersoff-Brenner. I. Theory
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April 1999 |
Tailoring Electrical Transport Across Grain Boundaries in Polycrystalline Graphene
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May 2012 |
Fast Parallel Algorithms for Short-Range Molecular Dynamics
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March 1995 |
Intrinsic ripples in graphene
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September 2007 |
Brillouin and Raman scattering in natural and isotopically controlled diamond
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August 1996 |
Defect formation dynamics during CdTe overlayer growth
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June 2012 |
Elastic Constants of Compression‐Annealed Pyrolytic Graphite
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July 1970 |
Improved long-range reactive bond-order potential for carbon. I. Construction
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December 2005 |
Multiscale modeling approach for calculating grain-boundary energies from first principles
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February 1998 |
Origin of the mosaicity in graphene grown on Cu(111)
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October 2011 |
Grains and grain boundaries in single-layer graphene atomic patchwork quilts
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January 2011 |
Extremely high thermal conductivity of graphene: Prospects for thermal management applications in nanoelectronic circuits
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April 2008 |
Condensation mechanisms of an arsenic-rich vapor on GaAs (001) surfaces
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March 2007 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Computer simulation of local order in condensed phases of silicon
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April 1985 |
High-fidelity simulations of CdTe vapor deposition from a bond-order potential-based molecular dynamics method
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June 2012 |
Generalizing the environment-dependent interaction potential for carbon
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December 2000 |
Cobalt-catalysed growth of carbon nanotubes with single-atomic-layer walls
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June 1993 |
Nanomechanics of single and multiwalled carbon nanotubes
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March 2004 |
Generating Transferable Tight-Binding Parameters: Application to Silicon
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August 1989 |
Single-shell carbon nanotubes of 1-nm diameter
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June 1993 |
Atomistic modeling of hydrocarbon systems using analytic bond-order potentials
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February 2007 |
Analytic bond-order potentials for multicomponent systems
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January 2004 |
Analytical bond-order potential for the Cd-Zn-Te ternary system
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December 2012 |
Methods of conjugate gradients for solving linear systems
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December 1952 |
Low-Pressure, Metastable Growth of Diamond and "Diamondlike" Phases
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August 1988 |
The Nelder-Mead Simplex Procedure for Function Minimization
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February 1975 |
Friction laws at the nanoscale
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February 2009 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Grain Boundary Mapping in Polycrystalline Graphene
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March 2011 |
Intrinsic long-range bond-order potential for carbon: Performance in Monte Carlo simulations of graphitization
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July 2003 |
Bounded Analytic Bond-Order Potentials for and Bonds
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May 2000 |
Line‐focus acoustic microscopy measurements of elastic constants for materials with high acoustic velocities
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December 1996 |
Special points for Brillouin-zone integrations
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June 1976 |
Electric Field Effect in Atomically Thin Carbon Films
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October 2004 |
Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide
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January 2005 |
A refined parameterization of the analytical Cd–Zn–Te bond-order potential
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November 2013 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
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June 1984 |
Analytic bond-order potentials beyond Tersoff-Brenner. II. Application to the hydrocarbons
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April 1999 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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May 1994 |
ReaxFF: A Reactive Force Field for Hydrocarbons
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October 2001 |
Differential Evolution – A Simple and Efficient Heuristic for global Optimization over Continuous Spaces
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January 1997 |
Detailed surface and gas-phase chemical kinetics of diamond deposition
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January 1991 |
Carbon Nanotubes--the Route Toward Applications
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August 2002 |
Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements
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August 2008 |
Configuration of interstitial atoms in irradiated graphite
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October 1966 |
Accuracy of existing atomic potentials for the CdTe semiconductor compound
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June 2011 |
Analytic bond-order potential for open and close-packed phases
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April 2002 |
Analytical bond-order potential for the cadmium telluride binary system
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March 2012 |
An energy landscape for carbon network solids
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November 2013 |
Analytic bond-order potential for predicting structural trends across the -valent elements
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October 2005 |
Modeling the Phase Diagram of Carbon
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April 2005 |
Internal strain in diamond structure elements: a survey of theoretical approaches
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March 1982 |
Optimization by Simulated Annealing
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May 1983 |
Dispersion Curves and Elastic Constants of Graphite
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May 1973 |
Correlations for single-crystal elastic constants of compound semiconductors and their representation in isomechanical groups
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August 2007 |
A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
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January 2002 |
Semiclassical interatomic potential for carbon and its application to the self-interstitial in graphite
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May 1991 |
The internal strain parameter of diamond from synchrotron radiation measurements
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July 1989 |