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The energy level alignment of the two organic materials forming the TTF-TCNQ interface is analyzed by means of a local orbital DFT calculation, including an appropriate correction for the transport energy gaps associated with both…

Materials Science · Physics 2012-07-17 Juan I. Beltrán , Fernando Flores , José I. Martínez , José Ortega

High entropy alloys (HEAs) are single phase crystals that consist of random solid solutions of multiple elements in approximately equal proportions. This class of novel materials have exhibited superb mechanical properties, such as high…

Materials Science · Physics 2020-04-21 Tianpeng Jiang , Yang Xiang , Luchan Zhang

In this paper, we consider limit laws for the model, which is a generalisation of the random energy model (REM) to the case when the energy levels have the mixture distribution. More precisely, the distribution of the energy levels is…

Probability · Mathematics 2018-02-15 Stanislav Molchanov , Vladimir Panov

Disorder in high entropy alloys, arising from the random distribution of multiple elements, plays a crucial role in their novel properties desirable for various advanced engineering applications. We investigate the role of compositional and…

X-ray powder diffraction, electrical resistivity, magnetization, and thermodynamic measurements were conducted to investigate the structure and superconducting properties of TiHfNbTaMo, a novel high-entropy alloy possessing a valence…

A formalism for the vacancy formation energies in random alloys within the single-site mean-filed approximation, where vacancy-vacancy interaction is neglected, is outlined. It is shown that the alloy configurational entropy can…

Computational Physics · Physics 2016-05-04 Andrei V. Ruban

High-entropy alloys (HEAs) are complex alloys containing multiple elements in high concentrations. Plasticity in HEAs is carried by dislocations, but the random nature of their composition pins dislocations, effectively hindering their…

Materials Science · Physics 2024-10-30 Hoa Thi Le , Wolfram G. Nöhring , Lars Pastewka

Recent experiments demonstrate a "robust superconductivity phenomenon" in niobium-based alloys, where the superconducting state remains intact and the critical temperature ($T_c$) is largely unaffected by external pressure well above tens…

Superconductivity · Physics 2025-06-23 Adam D. Smith , Wenjun Ding , Yogesh K. Vohra , Cheng-Chien Chen

To obtain comprehensive performance, heavy elements were added into superalloys for solid solution hardening. In this article, it is found by scanning transmission electron microscope observation that rather than distribute randomly…

Materials Science · Physics 2017-02-08 Yushi Luo , Lihui Zhang , Yumei Wang , Binghui Ge , Wei Guo , Jie Zhan , Jianxin zhang , Jing Zhu

The solution and diffusion of interstitial non-metallic solutes (INSs) like H, He, O, C, N, P, and S is common in refractory high-entropy alloys (RHEAs) and essentially controls the RHEAs properties. However, the disorder local chemical…

Materials Science · Physics 2025-08-06 Qianxi Zhu , Wang Gao , Qing Jiang

We demonstrate the development of a series of refractory high-entropy alloys containing aluminum AlRHEAs in the ordered BCC-B2 phase by varying the aluminum content within 10 to 25 atomic percent, with the goal of high strength and good…

Materials Science · Physics 2024-02-27 Jie Qi , Xuesong Fan , Diego Ibarra Hoyos , Peter K. Liaw , S. Joseph Poon

The traditional transmission coefficient present in the original Landauer formulation, which is valid for quasi-static scenarios with working frequencies below the inverse of the electron transit time, is substituted by a novel…

Mesoscale and Nanoscale Physics · Physics 2021-03-24 Matteo Villani , Simone Clochiatti , Werner Prost , Nils Weimann , Xavier Oriols

The degree of randomness, or partial order, present in two-dimensional supramolecular arrays of isophthalate tetracarboxylic acids is shown to vary due to subtle chemical changes such as the choice of solvent or small differences in…

A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…

Materials Science · Physics 2022-11-24 Andrew Novick , Quan Nguyen , Roman Garnett , Eric Toberer , Vladan Stevanović

High-entropy alloys are made from random mixtures of principal elements on simple lattices, stabilized by a high mixing entropy. The recently discovered BCC Ta-Nb-Hf-Zr-Ti high entropy alloy superconductor appears to display properties of…

Superconductivity · Physics 2016-12-21 Fabian von Rohr , Michal J. Winiarski , Jing Tao , Tomasz Klimczuk , Robert J. Cava

We have developed a multi-scale self-consistent method to study the charge conductivity of a porous system or a metallic matrix alloyed by randomly distributed nonmetallic grains and vacancies by incorporating Schr\"{o}dinger's equation and…

Materials Science · Physics 2023-02-16 Elham Sharafedini , Hossein Hamzehpour , Mohammad Alidoust

Angle- and energy-loss- resolved distributions of helium atoms grazingly scattered from a Ag(110) surface along low indexed crystallographic directions are investigated considering impact energies in the few keV range. Final projectile…

Materials Science · Physics 2016-08-17 C. A. Ríos Rubiano , G. A. Bocan , J. I. Juaristi , M. S. Gravielle

Corrosion has a wide impact on society, causing catastrophic damage to structurally engineered components. An emerging class of corrosion-resistant materials are high-entropy alloys. However, high-entropy alloys live in high-dimensional…

Materials Science · Physics 2024-09-12 Cheng Zeng , Andrew Neils , Jack Lesko , Nathan Post

We have studied the electronic structure of Mo rich Mo$_{1-x}$Re$_x$ alloys (0$\leq$ x $\leq$0.4) using valence band photoemission spectroscopy in the photon energy range 23-70 eV and density of states calculations. Comparison of the…

Damage-tolerance can be an elusive characteristic of structural materials requiring both high strength and ductility, properties that are often mutually exclusive. High-entropy alloys are of interest in this regard. Specifically, the…

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