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20112023
most citedHigh-Entropy Hydrides for Fast and Reversible Hydrogen Storage at Room Temperature: Binding-Energy Engineering via First-Principles Calculations and Experiments

147 citations · 602 across the 13 of their papers we have counts for

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Showing 2017 · cond-mat.mtrl-sciShow all

2 papers · 2 filters

cond-mat.mtrl-sci2017★ 24 cited

First-principles high-throughput screening of shape-memory alloys based on energetic, dynamical, and structural properties

Joohwi Lee, Yuji Ikeda, Isao Tanaka

First-principles-based materials screening is systematically performed to discover new combinations of chemical elements possibly making shape-memory alloys (SMAs). The B2, D03, an…

cond-mat.mtrl-sci2017★ 22 cited

Temperature-dependent phonon spectra of magnetic random solid solutions

Yuji Ikeda, Fritz Körmann, Biswanath Dutta +4

A first-principles-based method for computing phonons of magnetic random solid solutions including thermal magnetic fluctuations is developed. The method takes fluctuations of forc…