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In-situ powder diffraction was used to study the annealing of dislocations in the archetypal hydrogen absorbers Pd and LaNi5. The relationship between dislocations and trapped hydrogen was explored using thermally induced desorption. It was…

Materials Science · Physics 2016-09-20 T. A. Webb , C. J. Webb , C. V. Tapia-Bastidas , E. MacA. Gray

We performed an X-ray diffraction experiment while palladium bulk absorbed and desorbed hydrogen to investigate the behavior of the crystalline lattice during the phase transition between the $\alpha$ phase and $\beta$ phase. Fast growth of…

Under high pressure conditions, Zr undergoes a phase transformation from its ambient equilibrium hexagonal close packed $\alpha$ phase to hexagonal $\omega$ phase. Upon returning to ambient conditions, the material displays hysteretic…

Defects play a key role in deciding the mechanisms and kinetics of phase transformations. In this paper, we show how dislocations influence phase separation in alloys with miscibility gap. Specifically, depending on the ratio of pipe…

Materials Science · Physics 2021-07-28 Arjun Varma R , Prita Pant , M P Gururajan

Annealing of Bi,Pb-2223/Ag composites in (O2+N2) atmosphere at 820-780C is believed to reduce the number of the accompanying phases, to make contacts between crystallites closer and to increase the critical current. The goals of this study…

Superconductivity · Physics 2013-06-06 T. P. Krinitsina , S. V. Sudareva , E. I. Kuznetsova , Yu. V. Blinova

Thermomechanical processing such as annealing is one of the main methods to tailor the mechanical properties of materials, however, much is unknown about the reorganization of dislocation structures deep inside macroscopic crystals that…

The theory of the dislocation motion in the periodic potential relief of the crystal lattice (the Peierls-Nabarro barriers) is reviewed. On the basis of the kink mechanism the temperature dependence of the flow stress is described for a…

Pattern Formation and Solitons · Physics 2007-05-23 B. V. Petukhov

Under high pressure, Zr undergoes a transformation from its ambient equilibrium hexagonal close packed $\alpha$ phase to a simple hexagonal $\omega$ phase. Subsequent unloading to ambient conditions does not see a full reversal to the…

Materials Science · Physics 2018-06-18 Stephen R. Niezgoda , Thaddeus Song En Low

Hydrogen arranges at dislocations in palladium to form nanoscale hydrides, changing the vibrational spectra. An ab initio hydrogen potential energy model versus Pd neighbor distances allows us to predict the vibrational excitations for H…

Materials Science · Physics 2011-06-01 Dallas R. Trinkle , Hyunsu Ju , Brent J. Heuser , Terrence J. Udovic

Modeling hydrogen diffusion and its absorption in traps is a fundamental first step towards the understanding and prediction of hydrogen embrittlement. In this study, a multiscale approach which includes DFT simulations, OkMC, and…

Materials Science · Physics 2025-12-22 Gonzalo Álvarez , Álvaro Ridruejo , Javier Segurado

Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…

Materials Science · Physics 2024-04-03 Nicolas Bertin , Wei Cai , Sylvie Aubry , Athanasios Arsenlis , Vasily V. Bulatov

Hydrogen embrittlement (HE) poses a significant challenge to the durability of materials used in hydrogen production and utilization. Disentangling the competing nanoscale mechanisms driving HE often relies on simulations and…

The properties of hydrogen at high pressure have wide implications in astrophysics and high-pressure physics. Its phase change in the liquid is variously described as a metallization, H2-dissociation, density discontinuity or plasma phase…

Materials Science · Physics 2020-03-17 Hua Y. Geng , Q. Wu , Miriam Marqués , Graeme J. Ackland

Single crystalline faceted Pd nanoparticles attached to a sapphire substrate were fabricated employing the solid state dewetting method. The as-dewetted nanoparticles tested in compression exhibited all features of dislocation…

Cadmium arsenide Cd$_3$As$_2$ hosts massless Dirac electrons in its ambient-conditions tetragonal phase. We report X-ray diffraction and electrical resistivity measurements of Cd$_3$As$_2$ upon cycling pressure beyond the critical pressure…

Results of X-ray diffraction experiments on solid oxygen at low temperature and at pressures up to 10 GPa are presented.A careful sample preparation and annealing around 240 K allowed to obtain very good diffraction patterns in the…

Materials Science · Physics 2009-11-07 Federico A. Gorelli , Mario Santoro , Lorenzo Ulivi , Michael Hanfland

Laser hardening of metals occurs under the influence of a shock wave, which changes the distribution and density of one-dimensional defects - dislocations. There is a relationship between the density of dislocations, the grain size and the…

Optics · Physics 2026-01-21 A. G. Sukharev

The strength of the lithosphere is typically modelled based on constitutive equations for steady-state flow. However, models of lithospheric flexure reveal differences in lithospheric strength that are difficult to reconcile based on such…

Defects and their interactions in crystalline solids often underpin material properties and functionality as they are decisive for stability, result in enhanced diffusion, and act as a reservoir of vacancies. Recently, lithium-rich layered…

Transition metal dichalcogenide (TMD) bilayers with an interlayer twist exhibit a moire super-period, whose effects can manifest in both structural and electronic properties. Atomic displacements can lead to reconstruction into domains of…

Materials Science · Physics 2025-10-23 Madeleine Phillips , C. Stephen Hellberg
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