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The performance of all-solid-state battery (ASSB) cathodes strongly depends on their microstructure. Optimizing the cathode morphology can therefore enhance effective macroscopic properties such as ionic and electronic conductivity. The…
We present a practical algorithm for partially relaxing multiwell energy densities such as pertain to materials undergoing martensitic phase transitions. The algorithm is based on sequential lamination, but the evolution of the…
Microprocessor design, debug, and validation research and development are increasingly based on modeling and simulation at different abstraction layers. Microarchitecture-level simulators have become the most commonly used tools for…
Numerical simulations are used in this work to investigate aspects of microstructure and microsegregation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by…
The rising computational demand of modern workloads has renewed interest in energy-efficient paradigms such as neuromorphic and analog computing. A fundamental operation in these systems is matrix-vector multiplication (MVM), ubiquitous in…
The controlled design of martensitic transformation (MT) to achieve specific properties is crucial for the innovative application of shape memory alloys (SMAs) in advanced technologies. Herein, we explore and design the MT behaviors and the…
We present an efficient, fully conservative numerical scheme valid in the entire range of highly to weakly compressible flows using a single-fluid four equation approach together with multi-component thermodynamic models. The approach can…
Advanced characterisation techniques were used on LPBF Ti-6Al-4V samples produced on a heated base plate. When the substrate temperature is 100{\deg}C the elongation is 6\%, which increases and peaks at 10\% at 570{\deg}C, then sharply…
Powder bed fusion is a widely used additive manufacturing (AM) process for producing complex, small-batch parts that are impractical to manufacture using conventional methods. However, its broader adoption is hindered by process-induced…
In-situ monitoring system can be used to monitor the quality of additive manufacturing (AM) processes. In the case of digital image correlation (DIC) based in-situ monitoring systems, high-speed cameras were used to capture images of high…
Significant developments in the field of additive manufacturing (AM) allowed the fabrication of complex microarchitectured components with varying porosity across different scales. However, due to the high complexity of this process, the…
Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature…
Image segmentation is fundamental to microstructural analysis for defect identification and structure-property correlation, yet remains challenging due to pronounced heterogeneity in materials images arising from varied processing and…
Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, ab initio simulations can in principle predict the structure…
This manuscript presents the formulation, implementation, calibration and application of a multiscale reduced-order model to simulate a titanium panel structure subjected to thermo-mechanical loading associated with high-speed flight. The…
Accurate simulation of the printing process is essential for improving print quality, reducing waste, and optimizing the printing parameters of extrusion-based additive manufacturing. Traditional additive manufacturing simulations are very…
A large body of literature within the additive manufacturing (AM) community has focused on successfully creating stable tungsten (W) microstructures due to significant interest in its application for extreme environments. However,…
This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies under conditions relevant to additive manufacturing. We use a…
Designing alloys for additive manufacturing (AM) presents significant opportunities. Still, the chemical composition and processing conditions required for printability (ie., their suitability for fabrication via AM) are challenging to…
Lightweight inference is critical for biomolecular structure prediction and downstream tasks, enabling efficient real-world deployment and inference-time scaling for large-scale applications. While AF3 and its variants (e.g., Protenix,…