Room temperature liquid metal: its melting point, dominating mechanism and applications
The room temperature liquid metal (LM) is recently emerging as a new class of versatile
materials with fascinating characteristics mostly originated from its simultaneous metallic …
materials with fascinating characteristics mostly originated from its simultaneous metallic …
[图书][B] Multiscale modeling of complex molecular structure and dynamics with MBN explorer
MesoBioNano (MBN) Explorer is a multi-purpose software package for advanced multiscale
simulations of complex molecular structure and dynamics. It has many unique features and a …
simulations of complex molecular structure and dynamics. It has many unique features and a …
Tempering of Au nanoclusters: capturing the temperature-dependent competition among structural motifs
A computational approach to determine the equilibrium structures of nanoclusters in the
whole temperature range from 0 K to melting is developed. Our approach relies on Parallel …
whole temperature range from 0 K to melting is developed. Our approach relies on Parallel …
Molecular dynamics study of the micro-spallation
L Soulard - The European Physical Journal D, 2008 - Springer
We present a complete molecular dynamics analysis of the micro-spallation, which
corresponds to the various events following the reflexion on a free surface of a unsustained …
corresponds to the various events following the reflexion on a free surface of a unsustained …
Molecular Dynamics: from basic techniques to applications (A Molecular Dynamics Primer)
ER Hernández - AIP Conference Proceedings, 2008 - pubs.aip.org
It is now 50 years since the first papers describing the use of Molecular Dynamics (MD) were
published by Alder and Wainright, and since then, together with Monte Carlo (MC) …
published by Alder and Wainright, and since then, together with Monte Carlo (MC) …
Determination of the pressure dependent melting temperatures of Al and Ni using molecular dynamics
NS Weingarten, WD Mattson, BM Rice - Journal of Applied Physics, 2009 - pubs.aip.org
We present the results of a molecular dynamics simulation study designed to calculate the
melting temperatures of pure nickel and pure aluminum at various system pressures using …
melting temperatures of pure nickel and pure aluminum at various system pressures using …
Structural correlations and cooperative dynamics in supercooled liquids
The relationships between diffusivity and the excess, pair and residual multiparticle
contributions to the entropy are examined for Lennard-Jones liquids and binary …
contributions to the entropy are examined for Lennard-Jones liquids and binary …
Computer simulations of the effect of atomic structure and coordination on the stabilities and melting behaviour of copper surfaces and nano-particles
TD Daff, I Saadoune, I Lisiecki, NH de Leeuw - Surface science, 2009 - Elsevier
We have studied the structures and stabilities of copper nano-particles and the melting
properties of copper surfaces using interatomic potential-based molecular dynamics …
properties of copper surfaces using interatomic potential-based molecular dynamics …
Revisiting scaling laws for the diffusion coefficients in simple melts based on the structural deviation from hard-sphere-like case
Molecular simulations of a series of simple melts, including Al, Cu, Ni, Pt, Ti, Si and Ge, are
used to study the scaling laws of diffusion coefficients proposed by Rosenfeld and Dzugutov …
used to study the scaling laws of diffusion coefficients proposed by Rosenfeld and Dzugutov …
Kinetics of liquid-solid phase transition in large nickel clusters
AV Yakubovich, G Sushko, S Schramm… - Physical Review B …, 2013 - APS
In this paper, we have explored computationally the solidification process of a nickel cluster
consisting of 2057 atoms. This process has the characteristic features of the first-order phase …
consisting of 2057 atoms. This process has the characteristic features of the first-order phase …