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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…
It has been a challenge to accurately simulate Li-ion diffusion processes in battery materials at room temperature using {\it ab initio} molecular dynamics (AIMD) due to its high computational cost. This situation has changed drastically in…
Many alloys made by Additive Manufacturing (AM) require careful design of post-heat treatment as an indispensable step of microstructure engineering to further enhance the performance. We developed a high-throughput approach by fabricating…
Developing new metal hydrides is a critical step toward efficient hydrogen storage in carbon-neutral energy systems. However, existing materials databases, such as the Materials Project, contain a limited number of well-characterized…
We introduce Grokene, a novel two-dimensional superlattice derived from graphene, which was identified through an AI-guided materials discovery workflow utilizing a large language model. Grokene is predicted to exhibit ambient-pressure,…
Ion traps are often loaded from atomic beams produced by resistively heated ovens. We demonstrate an atomic oven which has been designed for fast control of the atomic flux density and reproducible construction. We study the limiting time…
There has been growing interest in investigating properties of elementary particles predicted by the standard model. Examples of such studies include exploring their low-energy analogs in condensed matter system, where they arise as…
Graphene is a sturdy and chemically inert material exhibiting an exposed two-dimensional electron gas of high mobility. These combined properties enable the design of graphene composites either based on covalent or non- covalent coupling of…
In pursuit of diamond nanoparticles, a capacitively-coupled radio frequency (CCRF) flow-through plasma reactor was operated with methane argon gas mixtures. Signatures of the final product obtained microscopically and spectroscopically…
The potential of graphene for hydrogen storage, coupled with the established role of Platinum as a catalyst for the hydrogen evolution reaction and the spillover effect, makes Pt-functionalized graphene a promising candidate for…
The discovery and design of new materials are paramount in the development of green technologies. High entropy oxides represent one such group that has only been tentatively explored, mainly due to the inherent problem of navigating vast…
We analyse non-equilibrium Carnot-like cycles built with a colloidal particle in a harmonic trap, which is immersed in a fluid that acts as a heat bath. Our analysis is carried out in the overdamped regime. The cycle comprises four…
This paper presents the different processing steps of a new generic surface micromachining module for MEMS hermetic packaging at temperatures around 180 degrees C based on nickel plating and photoresist sacrificial layers. The advantages of…
This study presents a novel method for microstructure control in closed die hot forging that combines Model Predictive Control (MPC) with a developed machine learning model called DeepForge. DeepForge uses an architecture that combines 1D…
We constructed a simple but effective model to predict the layered intergrowth structures by combining the self-assembly phenomenon in confined space and the sandwich configuration of layered materials. In this model, a two-dimensional…
Hot rolled commercial metastable austenitic steel 321 with strongly elongated thin delta-ferrite particles in its microstructure was the object of investigations. Ultrafine-grained (UFG) microstructure in steel 321 was formed by Equal…
Search for new high-temperature superconductors and insight into their superconducting mechanism are of fundamental importance in condensed matter physics. The discovery of near-room temperature superconductivity at more than a million…
Thermal decomposition of silicon carbide is a promising approach for the fabrication of graphene. However, the atomistic growth mechanism of graphene remains unclear. This paper describes the development of a new charge-transfer interatomic…
High-harmonic generation (HHG) in condensed-matter systems is both a source of fundamental insight into quantum electron motion and a promising candidate to realize compact ultraviolet and ultrafast light sources. Here we argue that the…
Gas-phase processes were long thought to be the key formation mechanisms for complex organic molecules in star-forming regions. However, recent experimental and theoretical evidence has cast doubt on the efficiency of such processes.…