89 citations · 335 across the 13 of their papers we have counts for
13 papers
Variational Onsager Neural Networks (VONNs): A thermodynamics-based variational learning strategy for non-equilibrium PDEs
Shenglin Huang, Zequn He, Bryan Chem +1
We propose a thermodynamics-based learning strategy for non-equilibrium evolution equations based on Onsager's variational principle, which allows to write such PDEs in terms of tw…
Predicting the unobserved: a statistical mechanics framework for non-equilibrium material response with quantified uncertainty
Shenglin Huang, Ian R. Graham, Robert A. Riggleman +3
Can far-from-equilibrium material response under arbitrary loading be inferred from equilibrium data and vice versa? Can the effect of element transmutation on mechanical behavior…
Relationships among structure, memory, and flow in sheared disordered materials
K. L. Galloway, E. G. Teich, X-g Ma +7
A fundamental challenge for disordered solids is predicting macroscopic yield from the microscopic arrangements of constituent particles. Yield is accompanied by a sudden and large…
Second-order fast-slow dynamics of non-ergodic Hamiltonian systems: Thermodynamic interpretation and simulation
Matthias Klar, Karsten Matthies, Celia Reina +1
A class of fast-slow Hamiltonian systems with potential describing the interaction of non-ergodic fast and slow degrees of freedom is studied. The parameter $\varep…
How to find the evolution operator of dissipative PDEs from particle fluctuations?
Xiaoguai Li, Nicolas Dirr, Peter Embacher +2
Dissipative processes abound in most areas of sciences and can often be abstractly written as , which is a gradient flow of the entropy . Although…
Computing diffusivities from particle models out of equilibrium
Peter Embacher, Nicolas Dirr, Johannes Zimmer +1
A new method is proposed to numerically extract the diffusivity of a (typically nonlinear) diffusion equation from underlying stochastic particle systems. The proposed strategy req…
Computational homogenization of heterogeneous media under dynamic loading
Chenchen Liu, Celia Reina
A variational coarse-graining framework for heterogeneous media is developed that allows for a seamless transition from the traditional static scenario to a arbitrary loading condi…
Discrete averaging relations for micro to macro transition
Chenchen Liu, Celia Reina
The well-known Hill's averaging theorems for stresses and strains as well as the so-called Hill-Mandel principle of macrohomogeneity are essential ingredients for the coupling and…
Formation of Nanotwin Networks during High-Temperature Crystallization of Amorphous Germanium
Luis A. Sandoval, Celia Reina, Jaime Marian
Germanium is an extremely important material used for numerous functional applications in many fields of nanotechnology. In this paper, we study the crystallization of amorphous Ge…
Entropy production and the geometry of dissipative evolution equations
Celia Reina, Johannes Zimmer
Purely dissipative evolution equations are often cast as gradient flow structures, , where the variable of interest evolv…
Derivation of as the continuum limit of crystalline slip
Celia Reina, Anja Schlömerkemper, Sergio Conti
In this paper we provide a proof of the multiplicative kinematic description of crystal elastoplasticity in the setting of large deformations, i.e. $\mathbf{F}=\mathbf{F}^e\mathbf{…
Mesoscale computational study of the nano-crystallization of amorphous Ge via a self-consistent atomistic - phase field coupling
Celia Reina, Luis Sandoval, Jaime Marian
Germanium is the base element in many phase-change materials, i.e. systems that can undergo reversible transformations between their crystalline and amorphous phases. They are wide…
Kinematic description of crystal plasticity in the finite kinematic framework: a micromechanical understanding of F=FeFp
Celia Reina, Sergio Conti
The plastic component of the deformation gradient plays a central role in finite kinematic models of plasticity. However, its characterization has been the source of extended debat…