Related papers: A Gibbs-potential-based framework for ideal plasti…
We introduce the ideal Gaussian glass-forming system as a model to describe the thermodynamics and dynamics of supercooled liquids on a local scale in terms of the properties of the potential energy landscape (PEL). The first ingredient is…
The Cosserat continuum is used in this paper to regularize the ill-posed governing equations of the Cauchy/Maxwell continuum. Most available constitutive models adopt yield and plastic potential surfaces with a circular deviatoric section.…
We develop a unified continuum modeling framework for viscous fluids and hyperelastic solids using the Gibbs free energy as the thermodynamic potential. This framework naturally leads to a pressure primitive variable formulation for the…
We develop a method to fit high-temperature Gibbs free energy data for the development of interatomic potentials for atomic systems. The approach is based on Hamiltonian thermodynamic integration, enabling the identification of suitable…
A variational modeling framework for hydraulically induced fracturing of elastic-plastic solids is developed in the present work. The developed variational structure provides a global minimization problem. While fracture propagation is…
We propose an adaptive polygonal finite element formulation for collapse plastic analysis of solids. The article contributes into four crucial points: 1) Wachspress shape functions at vertex and bubble nodes handled at a primal-mesh level;…
This paper proposes an elastic-gap free strain gradient crystal plasticity model that addresses dissipation caused by plastic slip gradient and grain boundary (GB) Burger tensor. The model involves splitting plastic slip gradient and GB…
Using an effective potential method, a replica formulism is set up for describing supercooled liquids near their glass transition. The resulting potential is equivalent to that for an Ising spin glass in a magnetic field. Results taken from…
The paper is concerned with dynamics of multi-phase media consisting of a solid permeable material and a compressible Newtonian fluid. Governing macroscopic equations are derived starting from the space-averaged microscopic mass and…
A lattice system of interacting temperature loops, which is used in the Euclidean approach to describe equilibrium thermodynamic properties of an infinite system of interacting quantum particles performing anharmonic oscillations (quantum…
Elastic models of the glass transition relate the relaxation dynamics and the elastic properties of structural glasses. They are based on the assumption that the relaxation dynamics occurs through activated events in the energy landscape…
Pair potentials that are bounded at the origin provide an accurate description of the effective interaction for many systems of dissolved soft macromolecules (e.g., flexible dendrimers). Using numerical free-energy calculations, we…
Compressible flow varies from ideal-gas behavior at high pressures where molecular interactions become important. Density is described through a cubic equation of state while enthalpy and sound speed are functions of both temperature and…
We prove existence and uniqueness for solutions to equilibrium problems for free-standing, traction-free, non homogeneous crystals in the presence of plastic slips. Moreover we prove that this class of problems is closed under G-convergence…
This work presents a micromechanical spectral formulation for obtaining the full-field and homogenized response of elastoplastic micropolar composites. A closed-form radial-return mapping is derived from thermodynamics-based micropolar…
An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an…
We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…
The mode-coupling theory for ideal glass transitions in simple systems is generalized to a theory for the glassy dynamics of molecular liquids using the density fluctuations of the sites of the molecule's constituent atoms as the basic…
A discrete-to-continuum analysis for free-boundary problems related to crystalline films deposited on substrates is performed by $\Gamma$-convergence. The discrete model here introduced is characterized by an energy with two contributions,…
The Gibbs free energy is the fundamental thermodynamic potential underlying the relative stability of different states of matter under constant-pressure conditions. However, computing this quantity from atomic-scale simulations is far from…