A lattice dynamical formalism based on nonaffine response theory is derived for noncentrosymmetric crystals, accounting for long-range interatomic interactions using the Ewald method. The framework takes equilibrated static configurations as input to compute the elastic constants in excellent agreement with both experimental data and calculations under strain. Besides this methodological improvement, which enables faster evaluation of elastic constants without the need of explicitly simulating the deformation process, the framework provides insights into the nonaffine contribution to the elastic constants of alpha-quartz. It turns out that, due to the noncentrosymmetric lattice structure, the nonaffine (softening) correction to the elastic ...
We develop a nonlinear, three-dimensional phase field model for crystal plasticity which accounts fo...
Viscoelasticity has been described since the time of Maxwell as an interpolation of purely viscous a...
The mechanical response of solids depends on temperature, because the way atoms and molecules respon...
International audienceA lattice dynamical formalism based on nonaffine response theory is derived fo...
Open Access.A systematic coarse graining of microscopic atomic displacements generates a local elast...
© 2020 Elsevier Ltd We review and compare the Born-Huang and the Lemaitre-Maloney theories that lead...
Granular jammed packings represent not only important systems per se (with many applications rangin...
Colloidal hard-sphere glasses represent a useful model system to investigate the physics of amorphou...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2010.Catalo...
Elastic constants are among the most fundamental and important properties of solid materials, which ...
The most profound effect of disorder on the elastic response of solids is the nonaffinity of local d...
The atomic theory of elasticity of amorphous solids, based on the nonaffine response formalism, is e...
Homogeneous deformation of an ordered crystalline solid at finite temperature can cause non-affine t...
The nonlocal elastic response function is crucial for understanding many properties of soft solids. ...
We present a theoretical method for deriving the stress tensor and elastic response of ordered syste...
We develop a nonlinear, three-dimensional phase field model for crystal plasticity which accounts fo...
Viscoelasticity has been described since the time of Maxwell as an interpolation of purely viscous a...
The mechanical response of solids depends on temperature, because the way atoms and molecules respon...
International audienceA lattice dynamical formalism based on nonaffine response theory is derived fo...
Open Access.A systematic coarse graining of microscopic atomic displacements generates a local elast...
© 2020 Elsevier Ltd We review and compare the Born-Huang and the Lemaitre-Maloney theories that lead...
Granular jammed packings represent not only important systems per se (with many applications rangin...
Colloidal hard-sphere glasses represent a useful model system to investigate the physics of amorphou...
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2010.Catalo...
Elastic constants are among the most fundamental and important properties of solid materials, which ...
The most profound effect of disorder on the elastic response of solids is the nonaffinity of local d...
The atomic theory of elasticity of amorphous solids, based on the nonaffine response formalism, is e...
Homogeneous deformation of an ordered crystalline solid at finite temperature can cause non-affine t...
The nonlocal elastic response function is crucial for understanding many properties of soft solids. ...
We present a theoretical method for deriving the stress tensor and elastic response of ordered syste...
We develop a nonlinear, three-dimensional phase field model for crystal plasticity which accounts fo...
Viscoelasticity has been described since the time of Maxwell as an interpolation of purely viscous a...
The mechanical response of solids depends on temperature, because the way atoms and molecules respon...