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Ni-Mo superalloys have emerged as materials of choice for a diverse array of applications owing to their superior mechanical properties, exceptional corrosion and oxidation resistance, electrocatalytic behavior, and surface stability.…

Materials Science · Physics 2024-09-12 Ambesh Gupta , Chinmay Dahale , Soumyadipta Maiti , Sriram Goverapet Srinivasan , Beena Rai

Ammonia (NH3) is mainly produced through the traditional Haber-Bosch process under harsh conditions with huge energy consumption and massive carbon dioxide (CO2) emission. The nitrogen electroreduction reaction (NERR), as an…

Mesoscale and Nanoscale Physics · Physics 2020-02-18 Yanling Zhai , Zhijun Zhu , Chengzhou Zhu , Kyle Chen , Xueji Zhang , Jing Tang , Jun Chen

Electrochemical CO2 reduction (CO2R) offers a promising approach to decarbonize chemical manufacturing through production of carbon-neutral fuels. However, insufficient performance and instability of membrane electrode assembly (MEA)…

In this work, we developed an interatomic potential for saturated hydrocarbons using the modified embedded-atom method (MEAM), a reactive semi-empirical many-body potential based on density functional theory and pair potentials. We…

Chemical Physics · Physics 2017-09-13 S. Nouranian , M. A. Tschopp , S. R. Gwaltney , M. I. Baskes , M. F. Horstemeyer

Single-atom catalysts (SACs), composed of isolated metal atoms dispersed on solid supports, represent the ultimate expression of atomic efficiency in catalysis. Their remarkable activity and selectivity arise from local coordination…

Materials Science · Physics 2026-03-27 Petr Lazar , Michal Otyepka

Single-atom catalysts (SACs) maximize atom efficiency and exhibit unique electronic structures, yet realizing precise and scalable atomic dispersion remains a key challenge. Here, we report a non-equilibrium strategy for the scalable…

Materials Science · Physics 2026-01-21 Yue Li , Yang Xu , Yunbiao Zhao , Mingwei Cui , Xiner Chen , Liu Qian , Jin Zhang , Xueting Feng , Ziqiang Zhao

High-entropy intermetallic compounds (HEICs) were fabricated by mechanical alloying and spark plasma sintering to fill a knowledge gap between the traditional high-entropy alloys (HEAs) and emerging high-entropy ceramics (HECs). Notably,…

Materials Science · Physics 2019-02-28 Naixie Zhou , Sicong Jiang , Timothy Huang , Mingde Qin , Tao Hu , Jian Luo

Single-atom catalysts (SACs) have garnered significant interest due to their ability to reduce metal particles to the atomic scale, enabling finely tunable local environments and enhanced catalytic properties in terms of reactivity and…

Mesoscale and Nanoscale Physics · Physics 2025-03-13 G. S. Priyanga , S. K. Behera

L12 precipitates are known to significantly enhance the strength and ductility of single-phase face-centered cubic (FCC) medium- or high-entropy alloys (M/HEAs). However, further improvements in mechanical properties remain untapped, as…

Great enthusiasm in single atom catalysts (SACs) for the N2 reduction reaction (NRR) has been aroused by the discovery of Metal (M)-Nx as a promising catalytic center. However,the performance of available SACs,including poor activity and…

Materials Science · Physics 2020-09-15 Xingshuai Lv , Wei Wei , Baibiao Huang , Ying Dai , Thomas Frauenheim

Single Crystal Elastic Constants (SECs) are pivotal for understanding material deformation, validating interatomic potentials, and enabling crucial material simulations. The entropy stabilized oxide showcases intriguing properties,…

Nanometric solid solution alloys are utilized in a broad range of fields, including catalysis, energy storage, medical application, and sensor technology. Unfortunately, the synthesis of these alloys becomes increasingly challenging as the…

Materials Science · Physics 2024-10-18 Yao Hu , Haihui Lan , Bo Hu , Jiaxuan Gong , Donghui Wang , Wen-Da Zhang , Mo Yan , Huicong Xia , Mingde Yao , Mingliang Du

Radiation damage in structural materials is a major challenge for advanced nuclear energy systems, and niobium is of particular interest due to its high melting point, mechanical strength, and corrosion resistance. To better understand its…

Materials Science · Physics 2025-09-29 S. Mondal , U. Bhardwaj , A. Majalee , V. Mishra , M. Warrier

High-entropy alloys (HEAs) combine compositional disorder with exceptional functional tunability, yet their inherently high-density limits use in lightweight systems. Here, we introduce entropy-architected nanowire metamaterials, a class of…

We present a second-nearest-neighbor Modified Embedded Atom Method (2NN--MEAM) potential for Scandium (Sc) and Aluminum-Scandium (Al--Sc) alloys that unifies cohesive, thermodynamic, and solidification behavior within a single transferable…

Materials Science · Physics 2025-12-11 Avik Mahata

Nitrate reduction to ammonia has attracted much attention for nitrate (NO3-) removal and ammonia (NH3) production. Identifying promising catalyst for active nitrate electroreduction reaction (NO3RR) is critical to realize efficient…

Materials Science · Physics 2023-08-29 Zheng Shu , Hongfei Chen , Xing Liu , Huaxian Jia , Hejin Yan , Yongqing Cai

Single-atom metal alloy catalysts (SAACs) have recently become a very active new frontier in catalysis research. The simultaneous optimization of both facile dissociation of reactants and a balanced strength of intermediates' binding make…

Materials Science · Physics 2021-04-14 Zhong-Kang Han , Debalaya Sarker , Runhai Ouyang , Yi Gao , Sergey V. Levchenko

We present an optimized strategy for the production of tightly confined Bose-Einstein condensates (BEC) of 87Rb in a crossed dipole trap with direct loading from a magneto-optical trap. The dipole trap is created with light of a…

Quantum Gases · Physics 2011-11-03 Thomas Lauber , Johannes Kueber , Oliver Wille , Gerhard Birkl

The European Spallation Source (ESS), currently under construction in Sweden, will provide an intense pulsed neutrino flux allowing for high-statistics measurements of coherent elastic neutrino-nucleus scattering (CE{\nu}NS) with advanced…

High Energy Physics - Phenomenology · Physics 2023-04-03 Sabya Sachi Chatterjee , Stéphane Lavignac , O. G. Miranda , G. Sanchez Garcia

Active, selective and stable catalysts are imperative for sustainable energy conversion, and engineering materials with such properties are highly desired. High-entropy alloys (HEAs) offer a vast compositional space for tuning such…

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