A new treatment of quasistatic (reversible) multiscale processes in heterogeneous materials at nonzero temperature is presented. The system is coarse grained by means of a finite-element mesh. The coarse-grained free-energy functional (of the positions of the nodes of the mesh) appropriate to the thermodynamic-state variables controlled in the relevant process is minimized. Tests of the new procedure on a Lennard-Jonesium crystal yield thermomechanical properties in good agreement with the “exact” atomistic results
Using a combination of statistical mechanics and finite-element interpolation, we develop a coarse-g...
The problem of prediction of finite temperature properties of materials poses great computational ch...
We present a general mathmatical framework for the newly proposed energy-based concurrent atomistic/...
A new treatment of quasistatic (reversible) multiscale processes in heterogeneous materials at nonze...
A treatment of multiscale quasistatic processes that combines an atomistic description of microscopi...
Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes...
Using a combination of statistical mechanics and finite-element interpolation, we develop a coarse-g...
A robust and efficient method for hybrid atomistic-continuum modeling and simulation of material sys...
The aim of this paper is the development of equilibrium and non-equilibrium extensions of the quasic...
A new hybrid atomistic-coarse-grained (HACG) treatment of reversible processes in multiple-scale sys...
The quasicontinuum (QC) method was originally introduced to bridge across length scales by coarse-gr...
A suite of computational tools is described for particle-based mesoscale simulations of the nonequil...
The quasicontinuum method was previously extended to the nonzero temperature conditions by implement...
The quasicontinuum (QC) method was introduced to coarse-grain crystalline atomic ensembles in order ...
The quasicontinuum (QC) method coarse-grains crystalline atomic ensembles in order to bridge the sca...
Using a combination of statistical mechanics and finite-element interpolation, we develop a coarse-g...
The problem of prediction of finite temperature properties of materials poses great computational ch...
We present a general mathmatical framework for the newly proposed energy-based concurrent atomistic/...
A new treatment of quasistatic (reversible) multiscale processes in heterogeneous materials at nonze...
A treatment of multiscale quasistatic processes that combines an atomistic description of microscopi...
Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes...
Using a combination of statistical mechanics and finite-element interpolation, we develop a coarse-g...
A robust and efficient method for hybrid atomistic-continuum modeling and simulation of material sys...
The aim of this paper is the development of equilibrium and non-equilibrium extensions of the quasic...
A new hybrid atomistic-coarse-grained (HACG) treatment of reversible processes in multiple-scale sys...
The quasicontinuum (QC) method was originally introduced to bridge across length scales by coarse-gr...
A suite of computational tools is described for particle-based mesoscale simulations of the nonequil...
The quasicontinuum method was previously extended to the nonzero temperature conditions by implement...
The quasicontinuum (QC) method was introduced to coarse-grain crystalline atomic ensembles in order ...
The quasicontinuum (QC) method coarse-grains crystalline atomic ensembles in order to bridge the sca...
Using a combination of statistical mechanics and finite-element interpolation, we develop a coarse-g...
The problem of prediction of finite temperature properties of materials poses great computational ch...
We present a general mathmatical framework for the newly proposed energy-based concurrent atomistic/...