Related papers: Design Analysis for Optimal Calibration of Diffusi…
The early stage of the reactive interdiffusion in the Cu-Al system was investigated at 350 {\textdegree}C and 300 {\textdegree}C thanks to in-situ transmission electron microscopy. A special care was given to find conditions where the…
Molecular dynamics simulation of Al/Ni multilayered foils reveals a range of different reaction pathways depending on the temperature of the reaction. At the highest temperatures Fickian interdiffusion dominates the intermixing process. At…
Optimal multi-layer device design requires consideration of fabrication uncertainties associated with inter-layer alignment and conformal layering. We present layer-restricted topology optimization (TO), a novel technique which mitigates…
Multiscale modelling methodologies build macroscale models of materials with complicated fine microscale structure. We propose a methodology to derive boundary conditions for the macroscale model of a prototypical non-linear heat exchanger.…
The increasing demand for materials capable of withstanding high temperatures and harsh environments necessitates the discovery of advanced alloys. This study introduces a computational routine to predict solid-state phase stability and…
While anomalous diffusion coefficients with non-Arrhenius like temperature dependence are observed in a number of metals, a conclusive comprehensive framework of explanation has not been brought forward to date. Here, we use…
Regarding lightweighting structures for aeronautics, automotive or construction applications, the level of performance of solutions proposed in terms of damping and isolation is fundamental. Hence multilayered plate appears as an…
This paper presents a computationally efficient method for the optimal design of silica aerogel porous material systems, balancing thermal insulation performance with mechanical stability under stress concentrations. The proposed approach…
We study optimal design problems for stationary diffusion involving one or more state equations and mixtures of an arbitrary number of anisotropic materials. Since such problems typically do not admit classical solutions, we adopt a…
This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…
In the context of estimating material properties of porous walls based on in-site measurements and identification method, this paper presents the concept of Optimal Experiment Design (OED). It aims at searching the best experimental…
This paper presents a flame-height correlation for laminar to transition-to-turbulent regime diffusion flames. Flame-height measurements are obtained by means of numerical and experimental studies in which three high definition cameras were…
The linear response description for impurity diffusion in a granular fluid undergoing homogeneous cooling is developed in the preceeding paper. The formally exact Einstein and Green-Kubo expressions for the self-diffusion coefficient are…
We discuss the dependence of self- and interdiffusion coefficients on temperature and composition for two prototypical binary metallic melts, Al-Ni and Zr-Ni, in molecular-dynamics (MD) computer simulations and the mode-coupling theory of…
A computer model can be used for predicting an output only after specifying the values of some unknown physical constants known as calibration parameters. The unknown calibration parameters can be estimated from real data by conducting…
The temperature dependence of the diffusion coefficient of particles is studied on lattices with disorder. A model is investigated with both trap and barrier disorder that was introduced before by Limoge and Bocquet (1990 Phys. Rev. Lett.…
Inverse design of metasurfaces for specific electromagnetic responses requires generating geometries that satisfy stringent spectral constraints while maintaining manufacturability. Conventional design methodologies rely on iterative…
We present a design strategy for selecting the effective polarizability distribution for a metasurface aperture needed to form a desired radiation pattern. A metasurface aperture consists of an array of subwavelength metamaterial elements,…
Metals which can form intermetallic compounds by an exothermic reaction constitute a class of reactive materials with multiple applications. Ni-Al laminates of thin alternating layers are being considered as model nanometric metallic…
The dynamics of binary colloidal mixture subjected to an external potential barrier is investigated using molecular dynamics simulations. The depletion interactions between the potential barrier and larger components of the mixture alters…