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The current study reports the design of advanced light-weight materials for high-energy accelerator beampipe applications. The objective is to optimize the combined requirements of high radiation length and stiffness properties of the…

Accelerator Physics · Physics 2026-01-21 Kamaljeet Singh , Kangkan Goswami , Raghunath Sahoo , Sumanta Samal

A high-strength dual alpha+beta phase titanium alloy Ti-6Al-4V is utilized as a material for beam windows in several accelerator target facilities. However, relatively little is known about how material properties of this alloy are affected…

In this progress report we present a new approach to the ab-initio guided bottom up design of beta-Ti alloys for biomedical applications using a quantum mechanical simulation method in conjunction with experiments. Parameter-free density…

Materials Science · Physics 2008-11-04 D. Raabe , B. Sander , M. Friak , D. Ma , J. Neugebauer

Refractory high-entropy alloys are under consideration for applications where materials are subjected to high temperatures and levels of radiation, such as in the fusion power sector. However, at present, their scope is limited because they…

Materials Science · Physics 2024-04-09 Christopher D. Woodgate , Julie B. Staunton

The mitigation of material defects from additive manufacturing (AM) processes is critical to reliability in their fabricated parts and is enabled by modeling the complex relations between available build monitoring signals and final…

Applied Physics · Physics 2024-02-26 Qixiang Luo , John D. Shimanek , Timothy W. Simpson , Allison M. Beese

Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a…

Materials Science · Physics 2026-01-08 Mohd Hasnain

The growing need for structural materials with strength, mechanical stability, and durability in extreme environments is driving the development of high entropy alloys. These are materials with near equiatomic mixing of five or more…

Materials Science · Physics 2025-09-18 Rahul Bouri , Manikantan R. Nair , Tribeni Roy

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…

Materials Science · Physics 2020-08-03 Yunhao Zhao , Noah Sargent , Kun Li , Wei Xiong

Titanium and its alloys are technologically important materials that display a rich phase behaviour. In order to enable large-scale, realistic modelling of Ti and its alloys on the atomistic scale, Machine Learning Interatomic Potentials…

Materials Science · Physics 2025-01-13 Connor S. Allen , Albert P. Bartók

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…

LPBF of Al alloys is associated with numerous challenges when compared to other commonly used alloys due to their higher reflectivity and thermal conductivity. In this work, processing diagrams, temperature prediction models, XCT, and…

Materials Science · Physics 2022-09-28 Sagar Patel , Haoxiu Chen , Mihaela Vlasea , Yu Zou

Developing data-driven machine-learning interatomic potentials for materials containing many elements becomes increasingly challenging due to the vast configuration space that must be sampled by the training data. We study the learning…

Materials Science · Physics 2022-08-16 Jesper Byggmästar , Kai Nordlund , Flyura Djurabekova

In this study, a machine learning-based technique is developed to reduce the computational cost required to explore large design spaces of substitutional alloys. The first advancement is based on a neural network approach to predict the…

Computational Physics · Physics 2020-04-03 Alhassan S. Yasin , Terence D. Musho

Additively manufactured (AM) aluminum alloys with high strength and thermal stability have broad applications in turbine engines, vacuum pumps, heat exchangers, and many other industrial systems. Employing precipitates with an L1$_2$…

The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced…

Materials Science · Physics 2024-03-12 Nathan Johnson , Aashwin Ananda Mishra , Apurva Mehta

The reason behind the remarkable properties of High-Entropy Alloys (HEAs) is rooted in the diverse phases and the crystal structures they contain. In the realm of material informatics, employing machine learning (ML) techniques to classify…

Machine Learning · Computer Science 2024-01-02 Debsundar Dey , Suchandan Das , Anik Pal , Santanu Dey , Chandan Kumar Raul , Arghya Chatterjee

The bottleneck of alloy design for powder-based additive manufacturing (AM) resides in customized powder production - an expensive and time-consuming process hindering the rapid closed-loop design iterations. This study analyzed an…

Applied Physics · Physics 2026-05-14 Zhaoxuan Ge , Sebastian Calderon , S. Mohadeseh Taheri-Mousavi

In this paper, a synergistic computational/experimental approach is presented for the rapid discovery and characterization of novel alloys within the compositionally complex (i.e., "medium/high entropy") refractory alloy space of…

Conflicting experiments disagree on whether the titanium-vanadium (Ti-V) binary alloy exhibits a body-centred cubic (BCC) miscibility gap or remains completely soluble. A leading hypothesis attributes the miscibility gap to oxygen…

Materials Science · Physics 2025-10-20 Timofei Miryashkin , Olga Klimanova , Alexander Shapeev

Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerated parts of this process, unifying scientific knowledge,…

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