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Calculation of statistical properties of nuclei in a finite-temperature mean-field theory requires projection onto good particle number, since the theory is formulated in the grand canonical ensemble. This projection is usually carried out…
Sintering is an important processing step in both ceramics and metals processing. The microstructure resulting from this process determines many materials properties of interest. Hence the accurate prediction of the microstructure,…
A new premixed turbulent combustion model is proposed. It is based on one-dimensional (1D) filtering of density times progress variable and of the reaction source term of laminar premixed flame profiles using a filter kernel which reflects…
We present a novel hybrid incompressible flow/material point method solver for simulating the combustion of flammable solids. Our approach utilizes a sparse grid representation of solid materials in the material point method portion of the…
A thermodynamically consistent mathematical model for hydrogen adsorption in metal hydrides is proposed. Beside hydrogen diffusion, the model accounts for phase transformation accompanied by hysteresis, swelling, temperature and heat…
The 2D half-filled Hubbard model is studied by a nonperturbative analytic theory of correlator projection. The original dynamical mean-field approximation (DMFA) is reproduced at the first-order projection and then improved by systematic…
In the analysis of composite materials with heterogeneous microstructures, full resolution of the heterogeneities using classical numerical approaches can be computationally prohibitive. This paper presents a micromechanics-enhanced finite…
A fast inverse heat conduction model (IHCM) is developed for estimating unknown properties of multi-layer composites considering internal heat generation. This work builds on the validated analytical forward models presented in Part I.…
The importance of many-body dispersion effects in layered materials subjected to high external loads is evaluated. State-of-the-art many-body dispersion density functional theory calculations performed for graphite, hexagonal boron nitride,…
We formulate and characterize a model to describe the dynamics of semiflexible polymers in the presence of activity due to motor proteins attached irreversibly to a substrate, and a transverse pulling force acting on one end of the…
In the fiber melt spinning of semi-crystalline polymers, the degree of crystallization can be non-homogeneous over the cross-section of the fiber, affecting the properties of the end product. For simulation-based process design, the…
Modelling the large deformation of hyperelastic solids under plane stress conditions for arbitrary compressible and nearly incompressible material models is challenging. This is in contrast to the case of full incompressibility where the…
When the variations of surface temperature are measured both spatially and temporally, analytical expressions that correctly account for multi-dimensional transient conduction can be applied. To enhance the accessibility of these accurate…
This paper introduces a novel approach for the construction of bulk--surface splitting schemes for semi-linear parabolic partial differential equations with dynamic boundary conditions. The proposed construction is based on a reformulation…
Accelerated cooling is a key technology in producing thermomechanically controlled processed (TMCP) steel plates. In a TMCP process hot plates are subjected to a strong cooling what results in a complex microstructure leading to increased…
The supersolid phase of soft-core bosons in two dimensions is investigated using the self-consistent Hartree-Fock and quantum Monte Carlo methods. An approximate phase diagram at finite temperatures is initially constructed using the…
While multi-axis 3D printing can align continuous fibers along principal stresses in continuous fiber-reinforced thermoplastic (CFRTP) composites to enhance mechanical strength, existing methods have difficulty generating toolpaths with…
We propose a class of temporally high-order parametric finite element methods for simulating solid-state dewetting of thin films in two dimensions using a sharp-interface model. The process is governed by surface diffusion and contact point…
The present paper develops an isothermal model for fast (high Deborah number) contraction flows of polymers from a reservoir to a die of circular or rectangular cross-sections. Two components of composite flow models in different regions of…
A phase-field description of brittle fracture is employed in the reported four-point bending analyses of monolithic and laminated glass plates. Our aims are: (i) to compare different phase-field fracture formulations applied to thin glass…