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Novel multicaloric cooling utilizing the giant caloric response of Ni-Mn-based metamagnetic shape-memory alloys to different external stimuli such as magnetic field, uniaxial stress and hydrostatic pressure is a promising candidate for…
The microstructure critically governs the properties of materials used in energy and chemical engineering technologies, from catalysts and filters to thermal insulators and sensors. Therefore, accurate design is based on quantitative…
Nowadays, most structural integrity concepts rely on simplified isotropic ma-terial data that are used within continuum mechanics modeling approaches. In contrast, modern casting and forming processes yield complex microstruc-tures coming…
The behavior of materials is influenced by a wide range of phenomena occurring across various time and length scales. To better understand the impact of microstructure on macroscopic response, multiscale modeling strategies are essential.…
Lightweight inference is critical for biomolecular structure prediction and other downstream tasks, enabling efficient real-world deployment and inference-time scaling for large-scale applications. In this work, we address the challenge of…
While recent work towards the development of tight-binding and ab-initio algorithms has focused on molecular dynamics, Monte Carlo methods can often lead to better results with relatively little effort. We present here a multi-step Monte…
In this study an automated software model using digital image processing techniques is proposed for extracting the image characteristics and contiguity of liquid phase sintered tungsten heavy alloys. The developed model takes a typical…
The microstructure of materials evolves through chemical reactions and mechanical stress, often strongly coupled in phenomena such as pressure solution or crystallization pressure. This article presents MASKE: a simulator to address the…
This paper presents a convolution tensor decomposition based model reduction method for solving the Allen-Cahn equation. The Allen-Cahn equation is usually used to characterize phase separation or the motion of anti-phase boundaries in…
A three-dimensional model of a partially melted powder bed with particles stochastically distributed in size and space coordinates has been developed. Numerical simulation of temperature distributions in stainless steel AISI 316L and…
The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…
Shape adaptive shape memory alloy hybrid composites (SMAHCs) are composites that incorporate shape memory alloys (SMAs) to realize shape transformation. Despite the availability of numerous analytical and finite element models for…
Topology optimization produces designs with intricate geometries and complex topologies that require advanced manufacturing techniques such as additive manufacturing (AM). However, insufficient consideration of manufacturability during the…
Many applications in mechanical, acoustic, and electronic engineering require estimating complex dynamical models, often represented as additive multi-input multi-output (MIMO) transfer functions with structural constraints. This paper…
The present article proposes a detailed study of recrystallization of zircaloy-4 under hot forming conditions by means of experimental and numerical tools. Thermomechanical tests and characterization campaigns that have been necessary for…
This work demonstrates the development of a strong and ductile medium entropy alloy by employing conventional alloying and thermomechanical processing to induce partial recrystallization (PR) and precipitation strengthening in the…
One of the challenging issues in additive manufacturing (AM) oriented topology optimization is how to design structures that are self-supportive in a manufacture process without introducing additional supporting materials. In the present…
Technological advances are in part enabled by the development of novel manufacturing processes that give rise to new materials or material property improvements. Development and evaluation of new manufacturing methodologies is labor-,…
Ultra-high-temperature ceramics (UHTCs) are candidate structural materials for applications that require resiliency to extreme temperature (>2000{\deg}C), high mechanical loads, or aggressive oxidizing environments. Processing UHTC…
Real-world physical systems, like composite materials and porous media, exhibit complex heterogeneities and multiscale nature, posing significant computational challenges. Computational homogenization is useful for predicting macroscopic…