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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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

应用物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

应用物理 · 物理学 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…

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,…

材料科学 · 物理学 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…

材料科学 · 物理学 2020-05-12 Ivan Lomakin , Miguel Castillo-Rodríguez , Xavier Sauvage