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Publication:3996938
zbMath0703.68099MaRDI QIDQ3996938
Michael P. Allen, Dominic J. Tildesley
Publication date: 23 January 1993
Title: zbMATH Open Web Interface contents unavailable due to conflicting licenses.
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order and single-particle dynamics in metallic glass, Plume splitting in pico-second laser-material interaction under the influence of shock wave, Using finite element codes as a numerical platform to run molecular dynamics simulations, The spectral Ewald method for singly periodic domains, MD study of solution concentrations on ion distribution in a nanopore-based device inspired from red blood cells, Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics, Shear influence on the structural ordering in a model metallic glass, On the definitions of effective stress and deformation gradient for use in MD: Hill's macro-homogeneity and the virial theorem, Nonmonotonic dependence of the absolute entropy on temperature in supercooled Stillinger-Weber silicon, Convergence analysis of truncated incomplete Hessian Newton minimization method and application in biomolecular potential energy minimization, Polymers with spatial or topological constraints: theoretical and computational results, Wave propagation in graphene sheets with nonlocal elastic theory via finite element formulation, From microscopic simulations to macroscopic material behavior, Wave Packet Molecular Dynamics simulations of hydrogen at mbar pressures, Charge dependence of temperature-driven phase transitions of molecular nanoclusters: Molecular dynamics simulation, Large-scale computer simulation of local segmental dynamics in amorphous atactic polystyrene, Large shear deformation of particle gels studied by Brownian dynamics simulations, Molecular dynamics simulation of a single polymer chain in vacuum and in solution, Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers, On the parallelization of molecular dynamics codes, New integrator for molecular dynamics simulations, Innovative computing and detailed properties of elementary reactions using time independent approaches, Efficiency of linked cell algorithms, SearchFill: A stochastic optimization code for detecting atomic vacancies in crystalline and non-crystalline systems, Efficient parallel implementation of Ewald summation in molecular dynamics simulations on multi-core platforms, Optimal Monte Carlo sampling for simulation of classical fluids, A study of mechanical properties of pure and nitrogen-doped ultrananocrystalline diamond films under various loading conditions, \(Ab\) \(initio\) molecular dynamics simulation of the atom packing and density of Al-Ni amorphous alloys, Stability and size-dependency of Cauchy-Born hypothesis in three-dimensional applications, Las Palmeras molecular dynamics: a flexible and modular molecular dynamics code, The importance of introducing a waiting time for lattice Monte Carlo simulations of a polymer translocation process, A novel method for modeling Neumann and Robin boundary conditions in smoothed particle hydrodynamics, Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. I: Algorithmic details, Neighbor list collision-driven molecular dynamics simulation for nonspherical hard particles. II: Applications to ellipses and ellipsoids, An introduction to computational nanomechanics and materials, Discrete-to-continuum bridging based on multigrid principles, Lie group symmetry analysis for granular media stress equations, Loss of ellipticity and structural transformations in planar simple crystal lattices, Sliding of rough surfaces and energy dissipation with a 3D multiscale approach, DL_POLY: Application to molecular simulation, Dense shallow granular flows, Increasing the Time Step and Efficiency of Molecular Dynamics Simulations: Optimal Solutions for Equilibrium Simulations or Structure Refinement of Large Biomolecules, Formation of Spherical Micelles in a supercritical Solvent: Lattice Monte Carlo Simulation and Multicomponent Solution Model, Directional locking and deterministic separation in periodic arrays, Атомистическое моделирование сосуществования фазовых состояний жидкость-пар для золота и определение критических параметров, Molecular-dynamic Investigation of Silicon Carbide Fracture Under External Mechanical Loads, Spectral methods for Langevin dynamics and associated error estimates, Likelihood Inference for Gibbs Processes in the Analysis of Spatial Point Patterns, FORMATION AND GROWTH OF CLUSTERS IN COLLOIDAL SUSPENSIONS, MULTISCALE MODELLING OF PERMEATION THROUGH MEMBRANE CHANNELS USING PREGENERATED MOLECULAR DYNAMICS TRAJECTORIES, A COUPLED MOLECULAR-CONTINUUM HYBRID MODEL FOR THE SIMULATION OF MACROMOLECULAR DYNAMICS, Molecular dynamics studies of thermal convection in fluids of soft and hard disks: A comparison, Shock waves in gases using molecular dynamics and DSMC methods, Molecular dynamics in arbitrary geometries: Parallel evaluation of pair forces, Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review†, Молекулярно-динамический расчет макропараметров технических газов на примере аргона, азота, водорода и метана, A Random-Batch Monte Carlo Method for Many-Body Systems with Singular Kernels, Methods of Blood Flow Modelling, Molecular dynamics study of the interaction of a shock wave with a biological membrane, Dissipative Particle Dynamics: Foundation, Evolution, Implementation, and Applications, STRUCTURE AND PROPERTIES OF CONCENTRATED FIBER SUSPENSIONS IN A SHEAR FLOW, Fluid enhancement of particle transport in nanochannels, Dynamics of bidisperse suspensions under Stokes flows: Linear shear flow and sedimentation, Dissipative particle dynamics simulation of multiphase fluid flow in microchannels and microchannel networks, Defining and optimizing algorithms for neighbouring particle identification in SPH fluid simulations, Homogeneous dynamics in a vibrated granular monolayer, Discrete Element Modelling of Crushable Tube-Shaped Grains, Bulbous head formation in bidisperse shallow granular flow over an inclined plane, Molecular mechanics in the context of the finite element method, Scale effect on flow and thermal boundaries in micro-/nano-channel flow using molecular dynamics-continuum hybrid simulation method, Coupled Navier-Stokes-Molecular dynamics simulations using a multi-physics flow simulation framework, Dynamics of dense sheared granular flows. Part 1. Structure and diffusion, Like-charge attraction in a one-dimensional setting: the importance of being odd, A scalable parallel algorithm for the direct numerical simulation of three-dimensional incompressible particulate flow, Towards anH-theorem for granular gases, Nonequilibrium work theorems applied to transitions between configurational domains, Ring polymer chains confined in a slit geometry of two parallel walls: the massive field theory approach, The effects of geometric non-additivity on the wetting of symmetric mixtures at a wall, Classical density functional theory and Monte Carlo simulation study of electric double layer in the vicinity of a cylindrical electrode, Separation of biological ion in asymmetric nanochannels through alternating electric field, Topological origin of phase transitions in the absence of critical points of the energy landscape, Interactions of solitary waves in integrable and nonintegrable lattices, Mean field kinetic theory description of evaporation of a fluid into vacuum, Wetting and particle adsorption in nanoflows, Energy nonequipartition, rheology, and microstructure in sheared bidisperse granular mixtures, MELTING BEHAVIOR AND THE GRÜNEISEN PARAMETER OFNaClAT HIGH PRESSURE: A MOLECULAR DYNAMICAL STUDY, Liquids: The holy grail of microfluidic modeling, Migration of twisted ribbon-like particles in simple shear flow, Simulations of Particle Suspensions at the Institute for Computational Physics, Nano-Systems in External Fields and Reduced Geometry: Numerical Investigations, Van der Waals type equation of state for Lennard-Jones fluid and the fluctuation of the potential energy by molecular dynamics simulations, AN OVERVIEW ON SMOOTHED PARTICLE HYDRODYNAMICS, Non-equilibrium effects on flow past a circular cylinder in the slip and early transition regime, Interplay of deformability and adhesion on localization of elastic micro-particles in blood flow, MOLECULAR DYNAMICS STUDY OF THE DISRUPTION OF H-BONDS BY WATER MOLECULES AND ITS DIFFUSION BEHAVIOR IN AMORPHOUS CELLULOSE, A molecular dynamics boundary condition for heat exchange between walls and a fluid, On variational approximations in quantum molecular dynamics, Microfluidics simulation using adaptive unstructured grids, Nanoscale simulations of directional locking, Large-eddy simulation of turbulent collision of heavy particles in isotropic turbulence, Multibaric–Multithermal Ensemble Simulation for Simple Liquids, Implementation aspects of the bridging scale method and application to intersonic crack propagation, A density functional theory for Yukawa chain fluids in a nanoslit, Heat transfer simulation using energy conservative dissipative particle dynamics, Generalised shot noise Cox processes, A two-component two-phase dissipative particle dynamics model, Multiscale Modelling of Complex Fluids: A Mathematical Initiation, A Conjecture about Molecular Dynamics, Diffusivities of Ar and Ne in Carbon Nanotubes, Configurational Temperature for Brownian Dynamics, Coupling electrical and mechanical effects in discrete element simulations, Mechanical behaviour and failure of cohesive granular materials, Monte Carlo evaluation of the continuum limit of (ϕ12)3, On Molecular Dynamics Algorithms, Multicomponent dissipative particle dynamics: Formulation of a general framework for simulations of complex fluids, Solving the equations of motion for mixed atomistic and coarse-grained systems, Calculation of the long-range interactions for interfacial properties, Multi-particle sampling in Monte Carlo simulations on fluids: efficiency and extended implementations, Shear viscosity of ionic liquids from non-equilibrium molecular dynamics simulation, GENERATION OF HOMOGENEOUS GRANULAR PACKINGS: CONTACT DYNAMICS SIMULATIONS AT CONSTANT PRESSURE USING FULLY PERIODIC BOUNDARIES, Some sigmoid and reverse-sigmoid response patterns emerging from high-power loading of solids, Lagrangian mechanics and variational integrators on two-spheres, From Molecular Dynamics and Particle Simulations towards Constitutive Relations for Continuum Theory, Unnamed Item, Node placement for triangular mesh generation by Monte Carlo simulation, Universal Relation between the Kolmogorov-Sinai Entropy and the Thermodynamical Entropy in Simple Liquids, Discrete Element Methods: Basics and Applications in Engineering, Nanoptera in Weakly Nonlinear Woodpile Chains and Diatomic Granular Chains, Fast multipole methods for particle dynamics, Monte-Carlo simulations of strongly interacting dipolar fluids between two conducting walls, Simulation of fluid flows in the nanometer: kinetic approach and molecular dynamic simulation, Recent developments in the molecular modeling of diffusion in nanoporous materials, Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications, Static Dielectric Constant of the Polarizable Stockmayer Fluid. Comparison of the Lattice Summation and Reaction Field Methods, An Iterative PPPM Method for Simulating Coulombic Systems on Distributed Memory Parallel Computers, Efficient Volume Changes in Constant-Pressure Monte Carlo Simulations, Non-Iterative Constraint Dynamics Using Velocity-Explicit Verlet Methods, A New Leapfrog Integrator of Rotational Motion. The Revised Angular-Momentum Approach, Statistical Mechanics of Quasi-geostrophic Vortices, Molecular dynamics simulations of polyampholyte solutions: osmotic coefficient, Pore-scale simulations of drainage of heterogeneous and anisotropic porous media, Dynamics of nanoscale jet formation and impingement on flat surfaces, Flow and transport in brush-coated capillaries: A molecular dynamics simulation, A model for hybrid simulations of molecular dynamics and computational fluid dynamics, Initial rates of aggregation for dilute, granular flows of wet particles, A particle-based multiscale model for submicron fluid flows, A unimolecular evaporation model for simulating argon condensation flows in direct simulation Monte Carlo, Flowing grains in an inclined duct, Peristaltic particle transport using the lattice Boltzmann method, Large-scale molecular dynamics simulations of normal shock waves in dilute argon, Basic statistics and variational concepts behind the reverse Monte Carlo technique, Unnamed Item, OpenFSI: a highly efficient and portable fluid-structure simulation package based on immersed-boundary method, A scalable algorithm for many-body dissipative particle dynamics using multiple general purpose graphic processing units, Parallel SPH modeling using dynamic domain decomposition and load balancing displacement of Voronoi subdomains, Unusual slow energy relaxation induced by mobile discrete breathers in one-dimensional lattices with next-nearest-neighbor coupling, Robust event-driven particle tracking in complex geometries, Bottom-Up Transient Time Models in Coarse-Graining Molecular Systems, An algorithm for generating microstructures of fiber‐reinforced composites with long fibers, PULSEDYN -- a dynamical simulation tool for studying strongly nonlinear chains, Shift/collapse on neighbor list (SC-NBL): fast evaluation of dynamic many-body potentials in molecular dynamics simulations, Radial distribution function in a diffusion Monte Carlo simulation of a fermion fluid between the ideal gas and the jellium model, Exponential asymptotics of woodpile chain nanoptera using numerical analytic continuation, Density ratio effect on particle sedimentation in a vertical channel, Quantum dissipative dynamics (QDD): a real-time real-space approach to far-off-equilibrium dynamics in finite electron systems, Convergence of unadjusted Hamiltonian Monte Carlo for mean-field models, Dynamics of a Bose-Einstein condensate of excited magnons, A smoothed particle hydrodynamics scheme for arbitrarily shaped rigid bodies within highly viscous fluids, Using Witten Laplacians to Locate Index-1 Saddle Points, Symmetric, explicit numerical integrator for molecular dynamics equations of motion with a generalized friction, Continuous-time Random Walks for the Numerical Solution of Stochastic Differential Equations, Time Correlation Functions of Equilibrium and Nonequilibrium Langevin Dynamics: Derivations and Numerics Using Random Numbers, Об одном алгоритме расчета движений молекул двухатомных газов, Monto Carlo simulation of thermodynamic properties for two-dimensional Lennard-Jones fluids, A domain decomposition molecular dynamics program for the simulation of flexible molecules with an arbitrary topology of Lennard-Jones and/or Gay-Berne sites, Monte Carlo Metropolis simulation of interacting anisotropic polarizable spins on a lattice, Ewald summation technique for one-dimensional charge distributions, Brownian dynamics simulation of rigid bodies and segmented polymer chains. Use of Cartesian rotation vectors as the generalized coordinates describing angular orientations, Integral-geometry morphological image analysis, Calculation of local and average pressure tensors in molecular simulations, Pseudo-thermal cooling in a bounded system of viscoelastic hard-spheres, Numerical calculations using the hyper-molecular dynamics simulation method, Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers, Sampling of conformation space in torsion angle dynamics calculations, Influence of liquid bridges on the mechanical behaviour of polydisperse granular materials, Analytical and numerical (Monte Carlo) studies of point and space group symmetry-breaking in the liquid-solid phase transition., The role of computer technology in applied computational chemical-physics, Dissipative particle dynamics with attractive and repulsive particle-particle interactions, A Metropolis adjusted Nosé-Hoover thermostat, Continuum and atomistic studies of intersonic crack propagation, Large-scale simulations of microstructural evolution in elastically stressed solids., Spectral methods for mesoscopic models of pattern formation, Bifurcation of translational and rotational non-Gaussian behaviors in two-dimensional liquid, Material order‐independent interface reconstruction using power diagrams, Geometric anisotropic effects on local field distribution: Generalized Clausius-Mossotti relation, Particle interactions in a dense monosized granular flow, A Perturbative Approach to Control Variates in Molecular Dynamics, Theoretical and numerical comparison of some sampling methods for molecular dynamics, Dense flows of cohesive granular materials, Free Surface Problems for Static Coulomb-Mohr Granular Solids, Convergence of thermodynamic quantities and work fluctuation theorems in the presence of random protocols, From atoms to crystals: a mathematical journey, Non-reflecting boundary conditions for atomistic, continuum and coupled atomistic/continuum simulations, Geometric integrators and the Hamiltonian Monte Carlo method, Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems, DRF90: a polarizable force field, Fast Stokesian dynamics, Theory and calculation of colloidal depletion interaction, Simulations of dynamics of plunge and pitch of a three-dimensional flexible wing in a low Reynolds number flow, Boundary conditions at the vapor-liquid interface, Approximating Off-Lattice Kinetic Monte Carlo, On the geometrical representation of classical statistical mechanics, Conformation-dependent sequence design of polymer chains in melts, An efficient linked list for molecular simulations on a spherical surface, The Effect of Global Smoothness on the Accuracy of Treecodes
