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Segregation and dissolution behavior of Mg alloyed with Ca and Al are studied by performing density functional theory calculations considering an extensive set of surface structures and compositions. Combining ab initio surface science…

Materials Science · Physics 2026-04-03 Jing Yang , K. B. Sravan Kumar , Mira Todorova , Jörg Neugebauer

Solvent exchange is a controlled process for dilution-induced phase separation. This work utilizes the solvent exchange method to reveal the effect of the mixing dynamics on the asphaltene precipitation process under 20 different mixing…

Fluid Dynamics · Physics 2022-09-02 Jia Meng , Chiranjeevi Kanike , Somasekhara Goud Sontti , Arnab Atta , Xiaoli Tan , Xuehua Zhang

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

Complexions are phase-like interfacial features that can influence a wide variety of properties, but the ability to predict which material systems can sustain these features remains limited. Amorphous complexions are of particular interest…

Materials Science · Physics 2017-08-22 Jennifer D. Schuler , Timothy J. Rupert

The excellent mechanical properties of the Ni-based superalloy IN718 mainly result from coherent $\gamma''$ precipitates. Due to a strongly anisotropic lattice misfit between the matrix and the precipitate phase, the particles exhibit…

Materials Science · Physics 2020-02-26 Felix Schleifer , Markus Holzinger , Yueh-Yu Lin , Uwe Glatzel , Michael Fleck

The thermodynamics of H/{\alpha}-Zr solid solution and zirconium hydride phases were studied using density functional theory. Disorder in {\zeta}, {\gamma} and {\delta} hydrides and solid solutions were modelled using a statistically…

Materials Science · Physics 2015-04-01 S. C. Lumley , R. W. Grimes , S. T. Murphy , P. A. Burr , A. Chroneos , P. R. Chard-Tucke , M. R. Wenman

Jerky flow in solids results from collective dynamics of dislocations which gives rise to serrated deformation curves and a complex evolution of the strain heterogeneity. A rich example of this phenomenon is the Portevin-Le Chatelier effect…

Materials Science · Physics 2021-04-16 T. A. Lebedkina , D. A. Zhemchuzhnikova , M. A. Lebyodkin

In this paper, we study the effects of $\theta ^\prime$-Al$_2$Cu plate-like precipitates on the plasticity of Al-Cu micro-pillars, with a sample size allowing the precipitates to cross the entire micro-pillar. {100}-slip traces are…

Materials Science · Physics 2019-07-29 Peng Zhang , Jian-Jun Bian , Chong Yang , Jin-Yu Zhang , Gang Liu , Jérôme Weiss , Jun Sun

Microstructural analysis of a Mg-Zn alloy deformed at room temperature by high-pressure torsion (HPT) indicates that fine-scale precipitation occurs even without post-deformation heat treatment. Small-angle X-ray scattering detects…

Alloying magnesium (Mg) with rare earth elements such as yttrium (Y) has been reported to activate the pyramidal <c + a> slip systems and improve the plasticity of Mg at room temperature. However, the origins of such dislocations and their…

Materials Science · Physics 2018-01-01 Zhigang Ding , Wei Liu , Hao Sun , Shuang Li , Dalong Zhang , Yonghao Zhao , Enrique J. Lavernia , Yuntian Zhu

Particulate reinforcement of polymeric matrices is a powerful technique for tailoring the mechanical and degradation properties of bioresorbable implant materials. Dispersion of inorganic particles is critical to achieving optimal…

Soft Condensed Matter · Physics 2021-12-15 Reece N. Oosterbeek , Xiang C. Zhang , Serena M. Best , Ruth E. Cameron

Patterning of precipitates along dislocation lines arising from nonequilibrium segregation during ion irradiation is investigated in model binary alloys. Lattice kinetic Monte Carlo simulations reveal that the competition between solute…

Materials Science · Physics 2026-03-24 N. Saunders , R. S. Averback , P. Bellon

Linear complexions are defect phases that form in the presence of dislocations and thus are promising for the direct control of plasticity. In this study, atomistic simulations are used to model the effect of linear complexions on…

Materials Science · Physics 2023-03-23 Divya Singh , Vladyslav Turlo , Daniel S. Gianola , Timothy J. Rupert

The spatial distribution and morphology of precipitates formed during aging are key factors that determine the precipitation hardening response of various magnesium-rare earth alloys. In recent years, the use of high-performance computing…

Materials Science · Physics 2026-02-23 Lingxia Shi , Stephen DeWitt , David Montiel , Qianying Shi , John Allison , Katsuyo Thornton

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

This work unravels the atomic details of the interaction of solute atoms with nanoscale crystalline defects. The complexity of this phenomenon is elucidated through detailed atom probe tomographic investigations on epitaxially-strained,…

Materials Science · Physics 2021-12-22 Samik Mukherjee , Simone Assali , Oussama Moutanabbir

The recrystallized grain size and texture in alloys can be controlled via the microchemistry state during thermomechanical processing. The influence of concurrent precipitation on recovery and recrystallization is here analyzed by directly…

Materials Science · Physics 2023-02-17 Håkon W. Ånes , Antonius T. J. van Helvoort , Knut Marthinsen

Whilst it has long been known that disorder profoundly affects transport properties, recent measurements on a series of solid solution 3d-transition metal alloys reveal two orders of magnitude variations in the residual resistivity. Using…

Materials Science · Physics 2019-03-18 Sai Mu , G. D. Samolyuk , S. Wimmer , M. C. Troparevsky , S. Khan , S. Mankovsky , H. Ebert , G. M. Stocks

During plastic deformation, metals change shape while continuously becoming stronger. The microscopic origin of these processes lies in the proliferation and movement of line defects, dislocations, and the subsequent self-organisation and…

To assess long-term structural integrity under operational conditions in nuclear reactors, SS 316LN with varying nitrogen content is subjected to thermal aging for 20000 hours at 650{\deg}C. While the annealing twins and heterogeneous grain…

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