Results 51 to 60 of about 11,356 (215)

Transforming Grain‐Boundary Brittle Precipitates to Ductility Pathways in Complex Concentrated Alloy

Advanced Science, EarlyView.
By engineering graded BCC/L12 interfaces, brittle precipitates in a complex concentrated alloy enable sequential deformation, realizing gigapascal strength with >20% elongation to solve the strength‐ductility trade‐off. ABSTRACT Conventional wisdom holds that hard grain‐boundary (GB) precipitates embrittle structural alloys by acting as crack ...
Zhixin Li, Xiao‐Tong Li, Zhaoqi Chen, Yushan Geng, Hao Gong, Sijia Hu, Wenli Song, Wanshun Xia, Chuanzheng Li, Linfa Peng, Yue Fan, Pengfei Guan, Bo Zhang, Weihua Wang, Yong Yang   +14 more
wiley   +1 more source

BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization

Scientific Reports, 2023
This work presents a new method for processing single-crystal semiconductors designed by a computational method to lower the process temperature.
Husain F. Alnaser, Taylor D. Sparks
doaj   +1 more source

Graph‐Theory Approach to Element Miscibility and Alloy Design

Advanced Science, EarlyView.
Graph and network theory enables pathway toward complex multiscale interactions between different elements for alloy design or interface engineering. Utilizing element's inherent properties and preferential interactivity, favorable mixed material formation, solubility and miscibility can be predicted.
Andrew Martin, Kien Nguyen, Sebastian Zaatini, Michael Lastovich, Bharat Gwalani, Paul Bogdan, Martin M. Thuo   +6 more
wiley   +1 more source

pycalphad: CALPHAD-based Computational Thermodynamics in Python

Journal of Open Research Software, 2017
The pycalphad software package is a free and open-source Python library for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria using the CALPHAD method.
Richard Otis, Zi-Kui Liu
doaj   +1 more source

Uncertainty quantification and composition optimization for alloy additive manufacturing through a CALPHAD-based ICME framework

npj Computational Materials, 2020
During powder production, the pre-alloyed powder composition often deviates from the target composition leading to undesirable properties of additive manufacturing (AM) components.
Xin Wang, Wei Xiong
doaj   +1 more source

Thermodynamics of Plutonium Monocarbide from Anharmonic and Relativistic Theory

Applied Sciences, 2020
Thermodynamics of plutonium monocarbide is studied from first-principles theory that includes relativistic electronic structure and anharmonic lattice vibrations. Density-functional theory (DFT) is expanded to include orbital-orbital coupling in addition
Per Söderlind, Alexander Landa, Aurélien Perron, Emily E. Moore, Christine Wu   +4 more
doaj   +1 more source

Outstanding 1200 °C Oxidation Resistance in a Novel Multi‐Principal Element Alloy via Lattice Distortion‐Induced Diffusion Suppression

Advanced Science, EarlyView.
The unique lamellar structure of the eutectic alloy promotes selective oxidation of Al initially, while lattice distortion‐induced diffusion suppression slows oxide growth during steady state. Combining these strategies, a Multi‐Principal Element Alloy with excellent oxidation resistance at 1200℃ was designed.
Xinyu Zhang, Weiyan Lv, Xinguang Wang, Chuanmin Jia, Yizhou Zhou, Keqiang Qiu, Jianqiang Wang   +6 more
wiley   +1 more source

Data‐Driven Design and Fabrication of Heat‐Resistant, Ultrastrong, Lightweight Aluminum‐Based Entropy Alloy by Additive Manufacturing

Advanced Science, EarlyView.
A data‐driven strategy integrating quantum machine learning (QML) and high‐throughput computing overcomes hot‐cracking limitation to design a novel lightweight aluminum‐based entropy alloy for additive manufacturing. The fabrication transforms brittle intermetallics into deformable hierarchical nanostructures, yielding ultrastrong strength (>1 GPa) and
Enmao Wang, Chao Ding, Danyang Zhou, Chenjin Xu, Swee Leong Sing, Jianzhong Jiang, Huibin Wu   +6 more
wiley   +1 more source

Phase-field analysis of quenching and partitioning in a polycrystalline Fe-C system under constrained-carbon equilibrium condition

, 2018
Mechanical properties of steels are significantly enhanced by retained austenite. Particularly, it has been shown that a recently developed heat-treatment technique called Quenching and Partitioning (Q\&P) stabilises austenite effectively. In the present
Amos, P G Kubendran, Nestler, Britta, Schneider, Daniel, Schoof, Ephraim, Streichan, Nick   +4 more
core   +1 more source

First-principles phase diagram calculations for the HfC–TiC, ZrC–TiC, and HfC–ZrC solid solutions [PDF]

, 2009
We report first-principles phase diagram calculations for the binary systems HfC–TiC, TiC–ZrC, and HfC–ZrC. Formation energies for superstructures of various bulk compositions were computed with a plane-wave pseudopotential method. They in turn were used
Adjaoud, O., Burton, B. P., Steinle-Neumann, G., van de Walle, A.   +3 more
core   +1 more source