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The non-equilibrium atom-by-atom growth of Cu-rich Cu-Zr thin films has been investigated by a combination of magnetron sputter deposition and molecular dynamics simulations. We focus on the role of Zr in the transition from large solid…

Materials Science · Physics 2024-09-11 Jiri Houska , Mariia Zhadko , Radomir Cerstvy , Deepika Thakur , Petr Zeman

The ability of amorphous intergranular films to mitigate damage formation at grain boundaries is studied with molecular dynamics simulations. We find that such films can alter both crack nucleation and crack growth rates by efficiently…

Materials Science · Physics 2015-01-22 Zhiliang Pan , Timothy J. Rupert

Metal powders with hierarchical nanostructures are always designed and fabricated by dealloying with or without combination of other manufacturing processes. However, they are mainly nanoporous metal powder and its derivations, and their…

Applied Physics · Physics 2019-09-17 Li Chenguang , Zhang Mingwei , Ruan Mianmian , Wang Jun , Liang Jiamiao , Zhang Deliang

Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct…

Materials Science · Physics 2009-10-31 J. Schiøtz , T. Vegge , K. W. Jacobsen

This paper is devoted to studying the recrystallization of 100 nm thick polycrystalline films of copper and silver. It is found that in copper films deposited by the thermal evaporation method onto a substrate at room temperature, a bimodal…

Materials Science · Physics 2025-02-04 S. Petrushenko , S. Dukarov , M. Fijalkowski , V. Sukhov

Pulsed laser deposition from a Nd:YAG laser was employed in production of hundreds of nanometer thick quasicrystalline Ti-Zr-Ni films on glass substrate. The influence of deposition temperature Ts on the structure, morphology and…

Materials Science · Physics 2020-10-26 Valerie Brien , A. Dauscher , P. Weisbecker , J. Ghanbaja , F Machizaud

Grain boundary engineering via dopant segregation can dramatically change the properties of a material. For metallic systems, most current studies concerning interfacial segregation and subsequent transitions of grain boundary structure are…

Materials Science · Physics 2018-12-26 Yang Hu , Timothy J. Rupert

A Cu-Cr composite was processed by severe plastic deformation to investigate the role of interphase boundaries on the grain size reduction mechanisms. The as-deformed material exhibits a grain size of only 20nm. This gives rise to a…

Materials Science · Physics 2008-12-18 Xavier Sauvage , Peter Jessner , François Vurpillot , Reinhard Pippan

Nanoparticle reinforced alloys offer the potential of high strength, high temperature alloys. While promising, during rapid solidification processes, alloys suffer from nanoparticle clustering, which can discount any strength benefit. An…

Materials Science · Physics 2024-01-23 Bryan Kinzer , Rohini Bala Chandran

Nanoporous metals allow for tailoring composition and surface-to-volume ratio, both aspects critical for applications in catalysis. Here, Ag70Au30 (2 at. %) films with a face-centered cubic structure were deposited at 400{\deg}C, either…

Nanocrystalline bulk materials are desirable for many applications as they combine mechanical strength and specific electronic transport properties. Our bottom up approach starts with tailored nanoparticles. Compaction and thermal treatment…

Mesoscale and Nanoscale Physics · Physics 2015-05-20 D. Schwesig , G. Schierning , R. Theissmann , N. Stein , N. Petermann , H. Wiggers , R. Schmechel

Hybrid Monte Carlo (MC)/molecular dynamics (MD) simulations are conducted to study the microstructures of nanocrystalline (nc) Cu/Ag alloys with various Ag concentrations. When the Ag concentration is below 50 Ag atoms/nm!, an increase in…

Materials Science · Physics 2017-04-05 A. Li , I. Szlufarska

Nanocrystalline materials are defined by their fine grain size, but details of the grain boundary character distribution should also be important. Grain boundary character distributions are reported for ball milled, sputter deposited, and…

Materials Science · Physics 2016-01-27 David B. Bober , Amirhossein Khalajhedayati , Mukul Kumar , Timothy J. Rupert

It was recently reported that segregation of Zr to grain boundaries (GB) in nanocrystalline Cu can lead to the formation of disordered intergranular films [1,2]. In this study we employ atomistic computer simulations to study how the…

Materials Science · Physics 2018-02-23 Valery Borovikov , Mikhail I. Mendelev , Alexander H. King

The nanocrystalline-amorphous textures are commonly observed in the coatings synthesized by energetic deposition.This work reports a theoretical study towards binary Cu-C phase separation.By performing a MD simulation using the LAMMPS…

Materials Science · Physics 2023-07-18 Jiajian Guan , Qin Jiang , Yue He , Xu Zhang , Bin Liao , Wei Gao , Lizhao Qin

Nanoporous thin-films are an important class of materials, offering a way to observe fundamental surface and bulk processes with particles larger than individual atoms, but small enough to interact significantly with each other through…

Materials Science · Physics 2016-03-22 Jeffrey G. Ulbrandt , Yang Li , Randall L. Headrick

Nanocrystalline pure FCC metals and some alloys are known to exhibit abnormal grain growth. Addition of solutes, such as W, has led to improved grain size stability in nanocrystalline Ni. While several groups have investigated grain growth…

Applied Physics · Physics 2024-10-22 Keerti Pandey , Aman Prasad

Practical applications of nanocrystalline metallic thin films are often limited by instabilities. In addition to grain growth, the thin film itself can become unstable and collapse into islands through solid-state dewetting. Selective…

Materials Science · Physics 2020-02-04 Jennifer D. Schuler , Guild Copeland , Khalid Hattar , Timothy J. Rupert , Samuel A. Briggs

Pulsed Laser Deposition allows to obtain W and W-Ta alloy coatings with different nanostructures, monitored by X-ray diffraction. The correlation between such structures and the elastic properties is investigated for amorphous-like,…

Materials Science · Physics 2017-10-24 E. Besozzi , D. Dellasega , A. Pezzoli , C. Conti , M. Passoni , M. G. Beghi

A complex study of aging kinetics for both coarse-grained and nanostructured by severe plastic deformation Cu -- 2 wt% Be alloy is reported. It is shown that aging of a coarse-grained alloy leads to continuous formation of nanosized CuBe…

Materials Science · Physics 2020-05-12 Ivan Lomakin , Miguel Castillo-Rodríguez , Xavier Sauvage