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Understanding the applicability and limitations of electronic-structure methods needs careful and efficient comparison with accurate reference data. Knowledge of the quality and errors of electronic-structure calculations is crucial to…

Laser ablation of Al-Ni alloys and Al films on Ni substrates has been studied by molecular dynamics simulations (MD). The MD method was combined with a two-temperature model to describe the interaction between the laser beam, the electrons…

Materials Science · Physics 2021-07-13 Dennis-Michael Rapp , Alexander Kiselev , Hans-Rainer-Trebin , Johannes Roth

We report the first preparation of nanoporous Al-Mg alloy films by selective dissolution of Mg from a Mg-rich AlxMg1-x alloy. We show how to tune the stoichiometry, the porosity and the oxide contents in the final film by modulating the…

The growing need for structural materials with strength, mechanical stability, and durability in extreme environments is driving the development of high entropy alloys. These are materials with near equiatomic mixing of five or more…

Materials Science · Physics 2025-09-18 Rahul Bouri , Manikantan R. Nair , Tribeni Roy

Strain heterogeneity at the microstructural level plays a vital role in the deformation and fracture behaviour of dual or multi-phase materials. In the present work, the strain heterogeneity, localization and partitioning arising at the…

Emergence of various properties is mapped in a two-component system from quantum to mesoscale, using Au-Ag alloys. Experiments are designed so that composition is the primary 'interaction' guiding the evolution of properties across…

Mesoscale and Nanoscale Physics · Physics 2012-05-03 Jason N. Armstrong , Eric M. Gande , John W. Vinti , Susan Z. Hua , Harsh Deep Chopra

Microscopic description in the study of immiscibility and segregating properties of liquid metallic binary alloys has gained a renewed scientific and technological interests during the last eight years for the physicists, metallurgists and…

Other Condensed Matter · Physics 2021-01-01 G M Bhuiyan

Additive manufacturing of a single crystalline metallic column is studied using molecular dynamics simulations. In the model, a melt pool is incrementally added and cooled to a target temperature under isobaric conditions to build a…

Materials Science · Physics 2021-01-18 Gurmeet Singh , Anthony M. Waas , Veera Sundararaghavan

The paper presents advancement of the matrix structural analysis technique (MSA) for stiffness modeling of robotic manipulators. In contrast to the classical MSA, it can be applied to both parallel and serial manipulators composed of…

Robotics · Computer Science 2018-05-30 Alexandr Klimchik , Damien Chablat , Anatol Pashkevich

Al-Mg-Si alloys with total solute contents ranging from 0.8 to 1.4 wt.% were solutionised, quenched and then artificially aged (AA) at 180 {\deg}C, after which positron annihilation lifetime spectroscopy was applied to obtain information…

Materials Science · Physics 2020-07-01 Mazen Madanat , Meng Liu , Xingpu Zhang , Qianning Guo , Jakub Čížek , John Banhart

The real-time dissolution of the single-phase compositionally complex alloy (CCA), Al1.5TiVCr, was studied using an inline inductively coupled plasma method. Compositionally complex alloys (CCAs), a term encompassing high entropy alloys…

We theoretically formulate and experimentally demonstrate the design of metagratings (MGs) composed of periodic rectangular grooves in a metallic medium, intended for perfect anomalous reflection. Using mode matching, a semianalytical…

Applied Physics · Physics 2021-01-04 Oshri Rabinovich , Ariel Epstein

A simulation strategy based in the finite element model was developed to model the corrosion and mechanical properties of biodegradable Mg scaffolds manufactured by laser power bed fusion after immersion in simulated body fluid. Corrosion…

Applied Physics · Physics 2022-01-19 Mohammad Marvi-Mashhadi , Wahaaj Ali , Muzi Li , Carlos González , Javier LLorca

Scientists perform diverse manual procedures that are tedious and laborious. Such procedures are considered a bottleneck for modern experimental science, as they consume time and increase burdens in fields including material science and…

In this paper, we reported the structural properties and superconductivity of Mg(B1-xCx)2 compounds. Powder x-ray diffraction results indicate that the samples crystallize in a hexagonal AlB2-type structure. Due to the chemical activity of…

Materials Science · Physics 2009-11-07 Shao-ying Zhang , Jian Zhang , Tong-yun Zhao , Chuan-bing Rong , Bao-gen Shen , Zhao-hua Cheng

The high-pressure synthesis is one of the most promising methods to produce MgB2 superconductive (SC) material. The available high-pressure apparatuses have working volume up to 100 cm3 which allows samples up to 60 mm in diameter to be…

During the last years, the scientific and industrial community has focused on the astonishing properties of Fe-Mn-Al-C steels. These high advanced steels allow high-density reductions about ~15% lighter than conventional steels, high…

Materials Science · Physics 2018-06-22 O. A. Zambrano

High-temperature alloy design requires a concurrent consideration of multiple mechanisms at different length scales. We propose a workflow that couples highly relevant physics into machine learning (ML) to predict properties of complex…

Materials Science · Physics 2020-09-04 Jian Peng , Yukinori Yamamoto , Jeffrey A. Hawk , Edgar Lara-Curzio , Dongwon Shin

As an essential attribute of organic compounds, polarity has a profound influence on many molecular properties such as solubility and phase transition temperature. Thin layer chromatography (TLC) represents a commonly used technique for…

The structural, electronic, and magnetic properties of (100)-oriented Co$_{2}$MnAl/MgO and Co$_{2}$MnAl/GaAs heterostructures are investigated using plane-wave pseudopotential density functional theory. For the Co$_{2}$MnAl/MgO, CoCo-MgMg,…

Materials Science · Physics 2025-08-25 Amar Kumar , Mitali , Sujeet Chaudhary , Sharat Chandra