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58 papers · 1 filter
Nanolamellar Hybrid High-Entropy Alloys with Superior Micromechanical Properties
Shivam Dangwal, Yoji Mine, Shohei Ueki +5
Metallic materials with nanolamellar structures, such as pearlitic steels, exhibit high strength with appropriate ductility. Considering the potential ability of such nanolamellar…
High-entropy perovskites, architectured by s0/d0/d10 cations, as novel electrolytes for solid oxide fuel cells
Ho Truong Nam Hai, Rishad Kunafiev, Kwati Leonard +1
Solid oxide fuel cells enable efficient conversion of hydrogen into electricity. However, the limited availability of materials for their cathode, anode, and electrolyte remains a…
Machine learning via artificial neural networks coupled with density functional theory and experiments for thermodynamic optimization of high-entropy alloys for hydrogen storage at room temperature
Shivam Dangwal, Pranav Kumar, Yuji Ikeda +2
High-entropy alloys (HEAs) have received considerable attention for hydrogen storage because of their compositional flexibility; however, designing HEAs with optimal thermodynamics…
Magnesium-graphene interphase boundaries created by high-pressure torsion enhance hydrogen storage kinetics:Mechanisms and significance of activation energy and frequency factor
Runchen Zhou, Payam Edalati, Anthony Alhayek +6
A strategy to overcome sluggish hydrogenation/dehydrogenation of magnesium is demonstrated by creating magnesium-graphene interphase boundaries via high-pressure torsion (HPT). HPT…
High-Pressure Torsion-Induced Transformation of Adenosine Monophosphate: Insights into Prebiotic Chemistry of RNA by Astronomical Impacts
Kaveh Edalati, Jacqueline Hidalgo-Jimenez, Thanh Tam Nguyen
The origin of life is yet a compelling scientific mystery that has sometimes been attributed to high-pressure impacts by small solar system bodies such as comets, meteoroids, aster…
Accurate semiempirical analytical formulas for spontaneous polarization by crystallographic parameters of SrTiO3-BaTiO3 system by ab initio calculations
Yukio Watanabe
Spontaneous polarizations (PSs) of BaTiO3 and SrTiO3 under various conditions are calculated ab initio using different exchange-correlation functionals. The extensive theoretical s…