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Development of suitable interatomic potentials for simulation of liquid and amorphous Cu–Zr alloys
We present a new semi-empirical potential suitable for molecular dynamics simulations of liquid and amorphous Cu–Zr alloys. To provide input data for developing the potential, new experimentalExpand
Highly optimized embedded-atom-method potentials for fourteen fcc metals
Highly optimized embedded-atom-method (EAM) potentials have been developed for 14 face-centered-cubic (fcc) elements across the periodic table. The potentials were developed by fitting theExpand
Prospects for Non-Rare Earth Permanent Magnets for Traction Motors and Generators
With the advent of high-flux density permanent magnets based on rare earth elements such as neodymium (Nd) in the 1980s, permanent magnet-based electric machines had a clear performance and costExpand
Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu
We investigate the application of embedded atom method (EAM) interatomic potentials in the study of crystallization kinetics from deeply undercooled melts, focusing on the fcc metals Al and Cu. ForExpand
Boron-doped molybdenum silicides for structural applications
Abstract The addition of as little as 1 wt.% (=3 at.%) boron improved the oxidation resistance of Mo 5 Si 3 by as much as five orders of magnitude over a temperature range of 800–1500°C. TheExpand
Reactive gas atomization processing for Fe-based ODS alloys
Gas atomization reaction synthesis was employed as a simplified method for processing oxide dispersion forming precursor Fe-based powders (e.g., Fe–Cr–Y–Hf). During this process a reactiveExpand
Nanoscale structure and structural relaxation in Zr50Cu45Al5 bulk metallic glass.
Hybrid reverse Monte Carlo simulations of the structure of Zr50Cu45Al5 bulk metallic glass incorporating medium-range structure from fluctuation electron microscopy data and short-range structureExpand
On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets
TLDR
We show that by employing an algorithm called the mean shift theory to a large amount of diffraction data in high-throughput experimentation, one can streamline the process of delineating the structural evolution across compositional variations mapped on combinatorial libraries with minimal computational cost. Expand
Using atomistic computer simulations to analyze x-ray diffraction data from metallic glasses
We propose a method of using atomistic computer simulations to obtain partial pair correlation functions from wide angle diffraction experiments with metallic liquids and their glasses. In thisExpand
Systematic mapping of icosahedral short-range order in a melt-spun Zr36Cu64 metallic glass.
By analyzing the angular correlations in scanning electron nanodiffraction patterns from a melt-spun Zr(36)Cu(64) glass, the dominant local order was identified as icosahedral clusters. Mapping theExpand
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