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In this study we report a method for the preparation of freestanding magnetocaloric thin films. Non-stoichiometric Heusler alloys Ni-Mn-Sn, Ni-Co-Mn-Sn and Ni-Co-Mn-Al are prepared via sputter deposition. A sacrificial vanadium layer is…

Through Monte Carlo simulations and the Associating Lattice Gas Model, the phases of a two-dimensional fluid under hydrophilic confinement are evaluated. The model, in its unconfined version, reproduces the anomalous behavior of water…

We use a combination of ab initio calculations and statistical mechanics to investigate the substitution of Li+ for Mg2+ in magnesium hydride (MgH2) accompanied by the formation of hydrogen vacancies with positive charge (with respect to…

Materials Science · Physics 2015-05-20 Kyle C. Smith , Timothy S. Fisher , Umesh V. Waghmare , Ricardo Grau-Crespo

The efficient coupling between lattice degrees of freedom and spin degrees of freedom in magnetic materials can be used for refrigeration and energy conversion. This coupling is enhanced in materials exhibiting the giant magnetocaloric…

We apply a recently developed optimization scheme to obtain effective potentials for alkali and alkaline-earth aluminosilicate glasses that contains lithium, sodium, potassium, or calcium as modifiers. As input data for the optimization, we…

Computational Physics · Physics 2019-05-22 Siddharth Sundararaman , Liping Huang , Simona Ispas , Walter Kob

We present a novel hydrated layered manganate MgMn$_3$O$_7$$\cdot$3H$_2$O as a maple-leaf-lattice (MLL) antiferromagnet candidate. The MLL is obtained by regularly depleting 1/7 of the lattice points from a triangular lattice so that the…

Materials Science · Physics 2018-08-14 Yuya Haraguchi , Akira Matsuo , Koichi Kindo , Zenji Hiroi

A detailed investigation of the structural and magnetic properties, including magnetocaloric effect, re-entrant spin-glass behavior at low temperature, and critical behavior in polycrystalline Al$_2$MnFe Heusler alloy is reported. The…

Lightweight, high-strength structural materials are component enablers in transportation and aerospace, reducing carbon footprints and enhancing fuel efficiency. Cast aluminium alloys, mainly based on eutectic compositions, make up 85% of…

Materials Science · Physics 2026-05-01 Hemant Kumar , Praveen Kumar , Dierk Raabe , Baptiste Gault , Surendra Kumar Makineni

We characterize the grain boundary (GB) susceptibility to hydrogen-assisted intergranular cracking in pure nickel as a function of coincident site lattice value ($\Sigma$-n), over a wide range of hydrogen concentrations (4 to 14 wppm).…

Materials Science · Physics 2025-12-03 S. Quan , A. Zafra , E. Martínez-Pañeda , C. Wu , Z. D. Harris , L. Cupertino-Malheiros

The development of oxidation-resistant high-entropy alloy (HEA) bond coats is restricted by the limited understanding of how multi-principal element interactions govern scale formation across temperatures. This study uncovers new oxidation…

Materials Science · Physics 2025-12-18 Dennis Boakye , Chuang Deng

MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though theoretically offering a vast chemical and phase space, relatively few MABs have yet been…

Materials Science · Physics 2024-06-21 Nikola Koutná , Lars Hultman , Paul H. Mayrhofer , Davide G. Sangiovanni

Carbon-doped magnesium diboride was fabricated from pre-reacted pure MgB2 by mechanical alloying. The sample set had excellent critical current densities Jc(8T,4.2K) ranging from 15-60 kA/cm2, depending on composition. Magneto-optical…

Superconductivity · Physics 2007-05-23 B. J. Senkowicz , A. A. Polyanskii , R. J. Mungall , E. E. Hellstrom , D. C. Larbalestier

Ruthenium metal and its oxide stand out for their exceptional catalytic activity, stability in Oxygen Evolution Reactions (OER) and electrical conductivity, making them indispensable in electronics and electrocatalysis. In this study,…

Materials Science · Physics 2024-10-31 S. S. Nalawade , R. S. Kim , J. Mahl , S. Cherono , I. Chris-Okoro , V. Craciun , J. Yan , E. Crumlin , D. Kumar , S. Aravamudhan

Methoxymethanol (CH3OCH2OH, MM) has been identified through gas-phase signatures in both high- and low-mass star-forming regions. This molecule is expected to form upon hydrogen addition and abstraction reactions in CO-rich ice through…

Evolutionary structure searches are used to predict stable phases with unique stoichiometries in the hydrogen-rich region of the magnesium/hydrogen phase diagram under pressure. MgH$_4$, MgH$_{12}$ and MgH$_{16}$ are found to be…

Materials Science · Physics 2015-06-12 David C. Lonie , James Hooper , Bahadir Altintas , Eva Zurek

Birnessite compounds are stable across a wide range of compositions that produces a remarkable diversity in their physical, electrochemical and functional properties. These are hydrated analogues of the magnetically frustrated, mixed-valent…

Precipitate size evolution during room temperature high-pressure torsion (HPT) of a Mg-1.35wt.%Mn alloy was studied using scanning transmission electron microscopy (STEM) and Small-/Wide-angle X-ray scattering (SAXS/WAXS). The volume…

Materials Science · Physics 2026-01-12 Julian M. Rosalie , Brian R. Pauw , Anton Hohenwarter

Aluminum is the most earth-abundant metal, is trivalent, is inert in ambient humid air, and has a density approximately four-times that of lithium at room temperature. These attributes make it an attractive material for cost-effective,…

MAX phases are nanolaminated ternary materials that combine metallic and ceramic properties. Currently, the A-site elements replacement in traditional ones by later transition-metals opens a door to explore new types of MAX phases. In this…

Materials Science · Physics 2021-11-25 Erxiao Wu , Yiming Zhang , Mian Li , Youbing Li , Kan Luo , Shiyu Du , Qing Huang

High strength steels are susceptible to H-induced failure, which is typically caused by the presence of diffusible H in the microstructure. The diffusivity of H in austenitic steels with fcc crystal structure is slow. The austenitic steels…

Materials Science · Physics 2023-09-28 Heena Khanchandani , Stefan Zeiler , Lucas Strobel , Mathias Goeken , Peter Felfer