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Tight-binding molecular dynamics simulations shed light into the fracture mechanisms and the ideal strength of tetrahedral amorphous carbon and of nanocomposite carbon containing diamond crystallites, two of the hardest materials. It is…

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…

Strength, ductility, and failure properties of metals are tailored by plastic deformation routes. Predicting these properties requires modeling of the structural dynamics and stress evolution taking place on several length scales. Progress…

Nanoalloys (or alloy nanoparticles) are an important class of materials that are promising for their functional properties. However, designing synthesis protocols to control their structure and chemical ordering is rather challenging. Part…

Materials Science · Physics 2026-03-25 Manoj Settem , Emanuele Telari , Antonio Tinti , Riccardo Ferrando , Alberto Giacomello

Molecular dynamics simulations on tensile deformation of initially defect free single crystal copper nanowire oriented in <001>{100} has been carried out at 10 K under adiabatic and isothermal loading conditions. The tensile behaviour was…

Materials Science · Physics 2014-11-10 G. Sainath , V. S. Srinivasan , B. K. Choudhary , M. D. Mathew , T. Jayakumar

Due to their exceptional mechanical and chemical properties and their natural abundance, cellulose nanocrystals (CNCs) are promising building blocks of sustainable polymer composites. However, the rapid gelation of CNC dispersions has…

Applied Physics · Physics 2021-08-20 Abhinav Rao , Thibaut Divoux , Crystal Owens , A. John Hart

Effects of nanostructured defects of copper solid surface on the bubble growth in liquid argon have been investigated through a hybrid atomistic-continuum method. The same solid surfaces with five different nanostructures, namely, wedge…

Fluid Dynamics · Physics 2017-08-18 Yijin Mao , Bo Zhang , Chung-Lung Chen , Yuwen Zhang

This study investigated, experimentally and numerically, the fracturing behavior of thermoset polymer structures featuring cracks and sharp u-notches. It is shown that, even for cases in which the sharpness of the notch would suggest…

Soft Condensed Matter · Physics 2018-12-17 Yao Qiao , Marco Salviato

Uniform macroscopic samples of nanoporous metal with high deformability have so far been limited to precious metals such as Au, Pd and Pt. Here we propose nanoporous Copper-Nickel (npCN) as a nanoporous base metal that can be made with mm…

Materials Science · Physics 2018-06-25 Lukas Lührs , Jörg Weissmüller

Understanding of the complex mechanical behavior of metal-organic frameworks (MOF) beyond their elastic limit will allow the design of real-world applications in chemical engineering, optoelectronics, energy conversion apparatus, and…

Materials Science · Physics 2022-10-25 Zhixin Zeng , Yuan Xiao , Jeffrey M. Wheeler , Jin-Chong Tan

This paper focuses on the development of the atomistic framework for determining the lower scale mechanical parameters of single components of a metal matrix composite for final application to a micromechanical damage model. Here, the…

Materials Science · Physics 2024-03-11 Marcin Maździarz , Szymon Nosewicz

The structural evolution of a nano-powder by repeated dispersion and settling can lead to characteristic fractal substructures. This is shown by numerical simulations of a two-dimensional model agglomerate of adhesive rigid particles. The…

Materials Science · Physics 2009-11-13 Thomas Schwager , Dietrich E. Wolf , Thorsten Poeschel

While the mechanical behavior of noble nanoporous metals has been the subject of numerous studies, less is known about their recently developed refractory-based counterparts. Here we report on the mechanical properties, deformation…

Materials Science · Physics 2024-02-20 N. Vazquez von Bibow , E. N. Millán , C. J. Ruestes

Copper nanolines fabricated by the damascene process are commonly used as interconnects in advanced electronic devices. The copper resistivity increases above the bulk value because of confinement, in detriment of performance. Recent…

Mesoscale and Nanoscale Physics · Physics 2009-06-23 T. E. Huber , P. Trottman , J. B. Halpern

Nanostructured silicon is a promising material for thermoelectric conversion, because the thermal conductivity in silicon nanostructures can be strongly reduced with respect to that of bulk materials. We present thermal conductivity…

Mesoscale and Nanoscale Physics · Physics 2018-07-04 Giovanni Pennelli , Elisabetta Dimaggio , Massimo Macucci

It is now possible to create perfect crystal nanowires of many metals. The deformation of such objects requires a good understanding of the processes involved in plasticity at the nanoscale. Isotropic compression of such nanometre scale…

Materials Science · Physics 2019-06-05 Con J. Healy , Graeme J. Ackland

LSCF is a promising candidate for the cathode in SOFCs. Understanding the microstructural characteristics is crucial to its application because they predominately determine the performance and durability of the porous cathodes and hence of…

Materials Science · Physics 2015-02-10 Zhangwei Chen

Detailed microstructure characterisation and in-situ micropillar compression were coupled with crystal plasticity-based finite element modelling (CP-FEM) to study the micro-mechanisms of plastic anisotropy in lamellar TiAl alloys. The…

We investigate the role of microstructural bridging on the fracture toughness of composite materials. To achieve this, a new computational framework is presented that integrates phase field fracture and cohesive zone models to simulate…

Applied Physics · Physics 2022-01-11 W. Tan , E. Martínez-Pañeda

This paper investigates the effects of plasticity on the effective fracture toughness. A layered material is considered as a modelling system. An elastic-plastic phase-field model and a surfing boundary condition are used to study how the…

Computational Engineering, Finance, and Science · Computer Science 2020-10-15 Stella Brach