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In this paper we study Cauchy problem for thermoelastic plate equations with friction or structural damping in $\mathbb{R}^n$, $n\geq1$, where the heat conduction is modeled by Fourier's law. We explain some qualitative properties of…
Melting is a high temperature process that requires extensive sampling of configuration space, thus making melting temperature prediction computationally very expensive and challenging. Over the past few years, I have built two methods to…
A simple lattice model, recently introduced as a generalization of the Wako--Sait\^o model of protein folding, is used to investigate the properties of widely studied molecules under external forces. The equilibrium properties of the model…
We use Shear Transformation Zone (STZ) theory to develop a deformation map for amorphous solids as a function of the imposed shear rate and initial material preparation. The STZ formulation incorporates recent simulation results [Haxton and…
The mechanisms of cold- and pressure-denaturation of proteins are matter of debate and are commonly understood as due to water-mediated interactions. Here we study several cases of proteins, with or without a unique native state, with or…
Thermodynamic properties of the particles interacting through smooth version of Stell-Hemmer interaction were studied using Wertheim's thermodynamic perturbation theory. The temperature dependence of molar volume, heat capacity, isothermal…
Folding kinetics of a lattice model of protein is studied. It uses the Random Energy Model for the intrachain couplings and a temperature dependent free energy of solvation derived from a realistic hydration model of apolar solutes. The…
In this paper, a new ridge-type shrinkage estimator for the precision matrix has been proposed. The asymptotic optimal shrinkage coefficients and the theoretical loss were derived. Data-driven estimators for the shrinkage coefficients were…
We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…
The process of protein folding from an unfolded state to a biologically active, folded conformation is governed by many parameters e.g the sequence of amino acids, intermolecular interactions, the solvent, temperature and chaperon…
A severe application of stress on articular cartilage can initiate a cascade of biochemical reactions that can lead to the development of osteoarthritis. We constructed a multiscale mathematical model of the process with three components:…
A thermo-mechanical fracture modeling is proposed to address thermal failure issues, where the temperature field is calculated by a heat conduction model based on classical continuum mechanics (CCM), while the deformation field with…
By high temperature series expansion, exact diagonalisation and temperature density-matrix renormalisation the magnetic susceptibility $\chi(T)$ and the specific heat $C(T)$ of dimerised and frustrated $S=1/2$ chains are computed. All three…
We present a first-principles study of heat conduction in a class of models which exhibit a new multi-step local thermalization mechanism which gives rise to Fourier's law. Local thermalization in our models occurs as the result of binary…
Single-molecule stretching experiments are widely utilized within the fields of physics and chemistry to characterize the mechanics of individual bonds or molecules, as well as chemical reactions. Analytic relations describing these…
Sintering, as a thermal process at elevated temperature below the melting point, is widely used to bond contacting particles into engineering products such as ceramics, metals, polymers, and cemented carbides. Modelling and simulation as…
Computer vision has been introduced to estimate calories from food images. But current food image data sets don't contain volume and mass records of foods, which leads to an incomplete calorie estimation. In this paper, we present a novel…
In structure-based models of proteins, one often assumes that folding is accomplished when all contacts are established. This assumption may frequently lead to a conceptual problem that folding takes place in a temperature region of very…
Understanding the generation of mechanical stress in drying, particle-laden films is important for a wide range of industrial processes. The cantilever experiment allows the stress in a drying film that has been deposited onto a thin plate…
The Frenkel-Kontorova model is a simple yet generic framework for the description of tribological phenomena and processes, including dry solid friction and the motion of adsorbed layers. As revealed in this work, it also reproduces…