相关论文: Physics-based Constitutive Equation for Thermo-Che…
Constitutive models play a crucial role in materials science as they describe the behavior of the materials in mathematical forms. Over the last few decades, the rapid development of manufacturing technologies have led to the discovery of…
This paper derives and discusses the configuration-space Langevin equation describing a physically aging R-simple system and the corresponding Smoluchowski equation. Externally controlled thermodynamic variables like temperature, density,…
We address the physics of nematic liquid crystalline elastomers randomly crosslinked in the isotropic state. To do this, we construct a phenomenological effective replica Hamiltonian in terms of two order-parameter fields: one for the…
Many experiments show that protein condensates formed by liquid-liquid phase separation exhibit aging rheological properties. Quantitatively, recent experiments by Jawerth et al. (Science 370, 1317, 2020) show that protein condensates…
We investigate the dynamical response of glass-forming systems composed of topologically constrained ring polymers subjected to an instantaneous thermal quench, employing large-scale molecular dynamics simulations. We demonstrate that the…
Based on classical statistical thermodynamics, we develop a theoretical approach that provides new insight into how macroscopic and microscopic physical properties are bridged via crystal lattice for condensed mat- ters. We find that in…
A method for homogenization of a heterogeneous (finite or periodic) elastic composite is presented. It allows direct, consistent, and accurate evaluation of the averaged overall frequency-dependent dynamic material constitutive relations.…
Context: The thermal and chemical structures of the upper atmospheres of planets crucially influence losses to space and must be understood to constrain the effects of losses on atmospheric evolution. Aims: We develop a 1D first-principles…
Long length-scale structural deformations of DNA play a central role in many biological processes including gene expression. The elastic rod model, which uses a continuum approximation, has emerged as a viable tool to model deformations of…
We propose a thermodynamically based approach for constructing effective rate-type constitutive relations describing finite deformations of metamaterials. The effective constitutive relations are formulated as \emph{second-order} in time…
Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…
The size and composition distribution of an ensemble of aqueous organic droplets, evolving via nucleation and concomitant chemical aging, may be affected by the latent heat of condensation and enthalpy of heterogeneous chemical reactions,…
We performed Langevin dynamics simulations of amphiphilic polymers that contain strongly associating stickers connected by long soluble chain segments. We explored the aging of a thermoreversible gel which is crosslinked by aggregates…
We present a method to increase the resolution of measurements of a physical system and subsequently predict its time evolution using thermodynamics-aware neural networks. Our method uses adversarial autoencoders, which reduce the…
The effect of finite temperature $T$ and finite strain rate $\dot\gamma$ on the statistical physics of plastic deformations in amorphous solids made of $N$ particles is investigated. We recognize three regimes of temperature where the…
The relaxation dynamics of many disordered systems, such as structural glasses, proteins, granular materials or spin glasses, is not completely frozen even at very low temperatures. This residual motion leads to a change of the properties…
Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a…
In this study, we investigate the influence of resin composition on the thermal and structural properties of crosslinked epoxy networks using molecular-dynamics simulations. The systems studied are based on mixtures of diglycidyl ether of…
We examine the thermally-induced fracture of an unstrained polymer chain of discrete segments coupled by an anharmonic potential by means of Molecular Dynamics simulation with a Langevin thermostat. Cases of both under- and over-damped…
We present a new strategy for introducing population balances into full-chain constitutive models of living polymers with linear chain architectures. We provide equations to describe a range of stress relaxation processes covering both…