Related papers: Computation of thermal properties via 3D homogeniz…
We present an accelerated algorithm that samples correctly the thermodynamic ensemble in complex systems where the dynamics is controlled by activation barriers. The efficiency of the thermodynamically-weighted activation-relaxation…
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…
In this paper, we describe a mathematical model and a numerical simulation method for the condenser component of a novel two-phase thermosyphon cooling system for power electronics applications. The condenser consists of a set of…
Nanostructured materials enable high thermal transport tunability, holding promises for thermal management and heat harvesting applications. Predicting the effect that nanostructuring has on thermal conductivity requires models, such as the…
In this paper, several rigorous numerical simulations were conducted to examine the relevance of mean-field micromechanical models compared to the Fast Fourier Transform full-field computation by considering spherical or ellipsoidal…
We consider the Dirichlet-Neumann iteration for partitioned simulation of thermal fluid-structure interaction, also called conjugate heat transfer. We analyze its convergence rate for two coupled fully discretized 1D linear heat equations…
High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast compositional spaces. Computational approaches, including Density…
Fiber-reinforced composites (FRC) provide structural systems with unique features that appeal to various civilian and military sectors. Often, one needs to modulate the temperature field to achieve the intended functionalities (e.g.,…
The fundamentals of Fourier Transform are presented, with analytical solutions derived for Continuous Fourier Transform (CFT) of truncated signals, to benchmark against Fast Fourier Transform (FFT). Certain artifacts from FFT were…
In this paper, we introduce the Phantom Domain Finite Element Method (PDFEM), a novel computational approach tailored for the efficient analysis of heterogeneous and composite materials. Inspired by fictitious domain methods, this method…
In this article, a general model for 1D thermal wave interference is derived for multi-layered coating systems on a thermally thick substrate using the same principles as for the well established one-layered and two-layered coating cases.…
An accelerated analysis method for non-uniform metasurfaces in FDTD is presented for the first time. The non-uniform metasurfaces are modeled by a distribution of susceptibilities, homogenized parameters. Those susceptibilities are…
Providing quantitative interpretation of coherent nonlinear microscopy images, such as third-harmonic generation (THG), is generally hampered by the complex phase-matching conditions, especially in the presence of sample linear…
Ultra-fast electronic phenomena originating from finite temperature, such as nonlinear optical excitation, can be simulated with high fidelity via real-time time dependent density functional theory (rt-TDDFT) calculations with hybrid…
Thermal multi-phase flow simulations are indispensable to understanding the multi-scale and multi-physics phenomena in metal additive manufacturing (AM) processes, yet accurate and robust predictions remain challenging. This book chapter…
Accurate thermal analysis of composites and porous media requires detailed characterization of local thermal properties in small scale. For some important applications such as lithium-ion batteries, changes in the properties during the…
Numerical simulation of multiphase compositional flow in fractured porous media, when all the species can transfer between the phases, is a real challenge. Despite the broad applications in hydrocarbon reservoir engineering and hydrology, a…
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…
The thermal response function given to a unit-step dissipation accurately characterizes the thermal system. Instead of the thermal response function the so-called structure function describing three-dimensional as the equivalent model of…
This work develops a polygonal finite element method (PFEM) for the analysis of steady-state and transient thermal stresses in two dimensional continua. The method employs Wachspress rational basis functions to construct conforming…