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The adsorption of Ag$_3$ and Ag$_4$ clusters on the $\alpha$-Al$_2$O$_3$(0001) surface is explored with density functional theory. Within each adsorbed cluster, two different cluster-surface interactions are present. We find that silver…

Materials Science · Physics 2007-05-23 Elizabeth A. Sokol , Sara E. Mason , Valentino R. Cooper , Andrew M. Rappe

We investigated the effect of dissolved hydrogen on the microstructure evolution of nanocrystalline silicon. Through molecular dynamics simulations we characterize the local and overall structural features of several hydrogenated samples by…

Mesoscale and Nanoscale Physics · Physics 2010-11-15 Giorgia Fugallo , Alessandro Mattoni , Luciano Colombo

The anharmonic decay rates of atomic vibrations in amorphous silicon (a-Si) and paracrystalline silicon (p-Si), containing small crystalline grains embedded in a disordered matrix, are calculated using realistic structural models. The…

Disordered Systems and Neural Networks · Physics 2009-11-10 Jaroslav Fabian , Joseph L. Feldman , C. Stephen Hellberg , S. M. Nakhmanson

The wear-driven structural evolution of nanocrystalline Cu was simulated with molecular dynamics under constant normal loads, followed by a quantitative analysis. While the microstructure far away from the sliding contact remains unchanged,…

Materials Science · Physics 2017-09-06 Zhiliang Pan , Timothy J. Rupert

Nanocrystalline metals typically have high fatigue strengths, but low resistance to crack propagation. Amorphous intergranular films are disordered grain boundary complexions that have been shown to delay crack nucleation and slow crack…

An approach based on He scattering is used to develop an atomic-level structural model for an epitaxially grown disordered sub-monolayer of Ag on Pt(111) at 38K. Quantum scattering calculations are used to fit structural models to the…

Materials Science · Physics 2016-08-31 A. T. Yinnon , D. A. Lidar , R. B. Gerber , P. Zeppenfeld , M. A. Krzyzowski , G. Comsa

The effect of temperature modes and heating rates (Vh) on the shrinkage kinetics of submicron and fine aluminum oxide powders has been studied. The objects of research comprised (i) submicron alfa-Al2O3 powder, (ii) submicron alfa-Al2O3…

Various-thickness Ag islands were prepared on Si(111)-7$\times$7 using the one-step deposition at a high substrate temperature. An electronic state centered at -0.40$\sim$-0.15eV versus E$_{Fermi}$, detectable on the surface of the Ag…

Materials Science · Physics 2011-02-08 Fang Cheng , Xiong Zhou , Yang He , Qian Shen , Hailing Liang , Heng Li , Jianlong Li , Wei Ji , Kai Wu

Mixtures of Fe and Cu powders are cold-compacted and subsequently deformed with severe plastic deformation by high-pressure torsion, leading to bulk samples. The dilution of Fe in the Cu matrix is investigated with SQUID-magnetometry,…

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…

Results obtained from the optical absorption and photoluminescence (PL) spectroscopy experiments have shown the formation of excitons in the silver-exchanged glass samples. These findings are reported here for the first time. Further, we…

We report on the transient-enhanced shape transformation of nano-structured Si(001) surfaces upon in vacuo annealing at relatively low temperatures of 1175K - 1225K for a few minutes. We find dramatic surface mass transport concomitant with…

Materials Science · Physics 2009-11-10 H. Lichtenberger , M. Muehlberger , F. Schaffler

The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding (ARB) are studied at 25C and 400C. Cu/Nb NMMs with individual layer thicknesses between 7 and 63…

Temperature modulated Alternating Differential Scanning Calorimetric (ADSC) studies show that Se rich Ge0.15Se0.85-xAgx (0 <= x <= 0.20) glasses are microscopically phase separated, containing Ag2Se phases embedded in a Ge0.15Se0.85…

Materials Science · Physics 2009-11-11 Pulok Pattanayak , S. Asokan

To study the size and strain rate dependency of copper polycrystalline microstructures, a multi-layered copper/Al$_2$O$_3$ thin film was deposited on a Si substrate using a hybrid deposition system (combining physical vapour and atomic…

Severe plastic deformation using high-pressure torsion of ternary Cu-based materials (CuFeCo and CuFeNi) was used to fabricate bulk samples with a nanocrystalline microstructure. The goal was to produce materials featuring the granular…

Materials Science · Physics 2022-08-26 M. Kasalo , S. Wurster , M. Stückler , M. Zawodzki , L. Weissitsch , R. Pippan , A. Bachmaier

Peritectic melting of Ti--Ag has been shown experimentally to form bicontinuous structures, but the mechanism remains unclear. Here we use phase-field simulations to show that these structures arise from a morphological instability of…

Materials Science · Physics 2026-05-26 Mingwang Zhong , Alain Karma

We present an original approach for predicting the static recrystallization texture development during annealing of deformed crystalline materials. The microstructure is considered as a population of subgrains and grains whose sizes and…

Materials Science · Physics 2021-02-22 Arthur Després , Jean-Denis Mithieux , Chad. W. Sinclair

The dynamics of the release of stored energy during annealing along two different crystallographic planes i.e.{111} and {220} in deformed copper have been investigated using in-situ X-ray diffraction measurements at 458K and 473K…

Materials Science · Physics 2016-10-12 S. Dey , N. Gayathri , M. Bhattacharya , P. Mukherjee

When the sulfur element is hyperdoped into crystalline silicon to a supersaturated density of 1020 cm-3, it can enhance the sub-bandgap light absorption of silicon from 0 to 70%, with the antireflection of surface dome structures. On the…

Materials Science · Physics 2015-06-19 Ke-Fan Wang , Shengchun Qu , Yuanxu Wang , Zhanguo Wang