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The prediction of crystal properties is essential for understanding structure-property relationships and accelerating the discovery of functional materials. However, conventional approaches relying on experimental measurements or density…
The mechanical properties of a disordered heterogeneous medium depend, in general, on a complex interplay between multiple length scales. Connecting local interactions to macroscopic observables, such as stiffness or fracture, is thus…
With the technology of artificial defects creating, we can tune the band structure and transport properties of many two-dimensional (2D) layered materials. One prototype materials system is the antidoted graphene sheet, where periodical…
The vision of a hydrogen economy demands efficient platforms to close the gap between sustainable proton sources and solid-state hydrogen carriers. Metal hydrides serve as key carriers, yet their synthesis remains constrained by the…
A comprehensive understanding of heat transport is essential for optimizing various mechanical and engineering applications, including 3D printing. Recent advances in machine learning, combined with physics-based models, have enabled a…
Room temperature superconductivity remains elusive, and hydrogen-base compounds despite remarkable transition temperatures(Tc) typically require extreme pressures that hinder application. To accelerate discovery under moderate pressures, an…
We present a thermodynamically consistent phase-field model for simulating fluid transport across semi-permeable membranes, with a particular focus on osmotic pressure effects. The model extends the classical Navier-Stokes-Cahn-Hilliard…
Penetration models and calculating algorithms are presented, describing the dynamics and fracture of composite armor shields penetrated by high-speed small arms. A shield considered consists of hard (metal or ceramic) facing and…
Graphene is a promising candidate for future electronic applications. Manufacturing graphene-based electronic devices typically requires graphene transfer from its growth substrate to another desired substrate. This key step for device…
An increasing amount of civil engineering applications are utilising data acquired from infrastructure instrumented with sensing devices. This data has an important role in monitoring the response of these structures to excitation, and…
We propose a computational framework, Hetero-EUCLID, for segmentation and parameter identification to characterize the full hyperelastic behavior of all constituents of a heterogeneous material. In this work, we leverage the Bayesian-EUCLID…
This study presents a GPU-accelerated, fully coupled fluid-solid-thermal Smoothed Particle Hydrodynamics (SPH) framework for high-fidelity analysis of splash-lubricated gearboxes. A series of thermo-fluid simulations of a bevel-helical gear…
The diffusivity of hydrogen in cold-rolled pure iron is investigated using permeation and desorption methods. Electrochemical charging, electro-permeation and thermal desorption spectroscopy (TDS) experiments are conducted. Firstly, the…
We present a gradient-based theoretical framework for predicting hydrogen assisted fracture in elastic-plastic solids. The novelty of the model lies in the combination of: (i) stress-assisted diffusion of solute species, (ii) strain…
In the recent years, there has been a growing interest in droplet-based (digital) microfluidics for which, reliable means of droplet manipulation are required. In this study we demonstrate thermal actuation of droplets on liquid platforms,…
Detecting infrared gas leaks is critical for environmental monitoring and industrial safety, yet remains difficult because plumes are faint, small, semitransparent, and have weak, diffuse boundaries. We present physics-edge hybrid gas…
A comprehensive numerical solution is developed for the transient thermo-elasto-hydrodynamic (TEHD) characteristics of mechanical face seals. Transient lubrication features of the fluid film, transient thermal deformation features of the…
The challenge to fully exploit the potential of existing and upcoming scientific instruments like large single-dish radio telescopes is to process the collected massive data effectively and efficiently. As a "quasi 2D stencil computation"…
This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…
The SPICE/HeRALD collaboration is performing R&D to enable studies of sub-GeV dark matter models using a variety of target materials. Here we report our recent progress on instrumenting a superfluid $^4$He target mass with a transition-edge…