Results 31 to 40 of about 17,737,336 (290)
A combined meshfree method and molecular dynamics in the multiscale length simulation
, 2002 Multiscale simulation technique for material modeling has been gaining much attention in many research realms, and it has emerged as a promising approach for addressing the challenges in efficient and accurate simulation method development.
Ng, T.Y. +4 more
core +1 more source
STRUCTURE OF SMALL CLUSTERS OF TITAN TiN ( N=2÷15 ) [PDF]
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2013 The study was performed of the structure of free clusters of titanium TiN ( N=2÷15 ) means of molecular dynamics using a many-particle cooperation in the tight-binding model.
N.A. Pankin
doaj
Molecular dynamics studies of anomalous transport in rarefied gas flows [PDF]
, 2010 We investigate the thermodynamically non-equilibrium gas dynamics by measuring molecular free path distribution functions, inter-molecular collision rates and wall dependent mean free path (MFP) profiles using the molecular dynamics (MD) method.
Dongari, Nishanth +2 more
core +2 more sources
ACCELERATED MOLECULAR DYNAMICS METHODS
, 2007 Molecular dynamics (MD) simulation, in which atom positions are evolved by integrating the classical equations of motion in time, is now a well established and powerful method in materials research. An appealing feature of MD is that it follows the actual dynamical evolution of the system, making no assumptions beyond those in the interatomic potential,
Blas P. Uberuaga, Arthur F. Voter
openaire +3 more sources
Физико-химические аспекты изучения кластеров, наноструктур и наноматериаловThe processes of the structure formation in Ti-V binary nanoparticles and the factors influencing the crystallization process are discussed. The objects of study were Ti-V binary nanoparticles containing N=200, 400, 800, 1520, 3000, and 5000 atoms with ...
K.G. Savina +6 more
doaj +1 more source
Thermal stability of polyphenylsilsesquioxane-modified meta-aramid insulation paper
High Voltage, 2020 The development of new materials for use in advanced distribution transformers is required to improve their heat resistance rating, operational safety, and reliability. The combination of polymer and nanoparticles is the preferred approach to improve the
Chao Tang +3 more
doaj +1 more source
FEBS Letters, EarlyView.Ascidian Ciona larvae initially show strong clockwise tail twisting, which is largely corrected during development. However, a small residual twist remains. This study shows that organized helical myofibrils in tail muscles mechanically stabilize this residual asymmetry, preventing complete restoration of bilateral symmetry and revealing how embryos ...
Yuki S. Kogure +3 more
wiley +1 more source
MOLECULAR DYNAMICS SIMULATION OF LYSINE DENDRIMER AND SEMAX PEPTIDES INTERACTION [PDF]
Научно-технический вестник информационных технологий, механики и оптики, 2016 The paper deals with the possibility of complex formation of therapeutic Semax peptides with lysine dendrimer by molecular modeling methods. Dendrimers are often used for delivery of drugs and biological molecules (e.g., DNA, peptides and polysaccharides)
E. V. Popova +3 more
doaj +1 more source
Molecules, 2021 As Nickel (Ni) is the base of important Ni-based superalloys for high-temperature applications, it is important to determine the creep behavior of its nano-polycrystals. The nano-tensile properties and creep behavior of nickel polycrystalline nanopillars
Xiang Xu +3 more
doaj +1 more source
Some remarks on sampling methods in Molecular Dynamics [PDF]
ESAIM: Proceedings, 2008 We present an overview of sampling techniques in molecular dynamics. We start with phase-space sampling techniques, and recall that deterministic methods may suffer from non-ergodicity problems. Then, we focus on methods relying on stochastic perturbations of the usual Hamiltonian dynamics.
Legoll, Frédéric +2 more
openaire +2 more sources