Laser-induced shock compression of monocrystalline copper: characterization and analysis
TL;DR: In this paper, a method for estimating dislocation densities is proposed, based on nucleation of loops at the shock front and their extension due to residual shear stresses behind the front.
About: This article is published in Acta Materialia.The article was published on 2003-03-14. It has received 219 citations till now. The article focuses on the topics: Slip (materials science) & Crystal twinning.
Citations
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TL;DR: In this paper, the effect of crystallographic orientation over the evolution of deformation pathway of single crystal copper under shock compression has been investigated for multimillion atom non-equilibrium molecular dynamics simulations.
29 citations
TL;DR: The statistical breaking position distributions of the nanowires have been investigated to give the effects of strain rate and crystallographic orientation on micro-atomic fluctuation in the symmetric stretching of thenanowires.
Abstract: The failure of the metallic nanowire has raised concerns due to its applied reliability in nanoelectromechanical system. In this article, the breaking failure is studied for the [100], [110], and [111] single-crystal copper nanowires at different strain rates. The statistical breaking position distributions of the nanowires have been investigated to give the effects of strain rate and crystallographic orientation on micro-atomic fluctuation in the symmetric stretching of the nanowires. When the strain rate is less than 0.26% ps-1, macro-breaking position distributions exhibit the anisotropy of micro-atomic fluctuation. However, when the strain rate is larger than 3.54% ps-1, the anisotropy is not obvious because of strong symmetric shocks.
28 citations
03 Apr 2019-Materials Science and Engineering A-structural Materials Properties Microstructure and Processing
TL;DR: In this article, the intrinsic mechanism of nanocrystallization, the evolution of dislocations and the formation of sub-grain boundaries were analyzed using Schmid's law and the von Mises yield criterion.
Abstract: Molecular dynamics simulations are performed to investigate nanocrystallization of -oriented monocrystal copper subjected to ultrafast laser shock compression. The differences between laser shock compression and direct mechanical shock compression are first studied. To reveal the intrinsic mechanism of nanocrystallization, the evolution of dislocations and the formation of sub-grain boundaries are presented and analyzed in detail. The nucleation of dislocations is analyzed using Schmid's law and the von Mises yield criterion. Dislocation evolution and the corresponding reactions are presented. To better understand the evolution of dislocations, typical thermophysical quantities, including stress and strain, are discussed in detail. The formation of dislocation cells, walls and entanglements due to interactions between dislocations is investigated, and the mechanism of the interactions is analyzed.
28 citations
TL;DR: In this article, a quantitative characterization of damage and substructural evolution in bicrystal copper reveals that the density of dislocation cells based on activation of available slip systems due to Schmid factor analysis influences damage nucleation in copper.
27 citations
12 May 2021
TL;DR: In this article, a suite of ab initio quantum molecular dynamics (QMD) simulations based on the Z methodology was used to refine the phase diagram of Smirnov, which combines both direct Z method and inverse Z method for the calculation of solid-solid phase boundaries.
Abstract: Copper has been considered as a common pressure calibrant and equation of state (EOS) and shock wave (SW) standard, because of the abundance of its highly accurate EOS and SW data, and the assumption that Cu is a simple one-phase material that does not exhibit high pressure (P) or high temperature (T) polymorphism. However, in 2014, Bolesta and Fomin detected another solid phase in molecular dynamics simulations of the shock compression of Cu, and in 2017 published the phase diagram of Cu having two solid phases, the ambient face-centered cubic (fcc) and the high-PT body-centered cubic (bcc) ones. Very recently, bcc-Cu has been detected in SW experiments, and a more sophisticated phase diagram of Cu with the two solid phases was published by Smirnov. In this work, using a suite of ab initio quantum molecular dynamics (QMD) simulations based on the Z methodology, which combines both direct Z method for the simulation of melting curves and inverse Z method for the calculation of solid–solid phase boundaries, we refine the phase diagram of Smirnov. We calculate the melting curves of both fcc-Cu and bcc-Cu and obtain an equation for the fcc-bcc solid–solid phase transition boundary. We also obtain the thermal EOS of Cu, which is in agreement with experimental data and QMD simulations. We argue that, despite being a polymorphic rather than a simple one-phase material, copper remains a reliable pressure calibrant and EOS and SW standard.
26 citations
References
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27 Sep 1994
TL;DR: In this paper, the authors present a method to produce dynamic deformation at high strain rates by using Shear Bands (Thermoplastic Shear Instabilities) and dynamic fracture.
Abstract: Dynamic Deformation and Waves. Elastic Waves. Plastic Waves. Shock Waves. Shock Waves: Equations of State. Differential Form of Conservation Equations and Numerical Solutions to More Complex Problems. Shock Wave Attenuation, Interaction, and Reflection. Shock Wave-Induced Phase Transformations and Chemical Changes. Explosive-Material Interactions. Detonation. Experimental Techniques: Diagnostic Tools. Experimental Techniques: Methods to Produce Dynamic Deformation. Plastic Deformation at High Strain Rates. Plastic Deformation in Shock Waves. Shear Bands (Thermoplastic Shear Instabilities). Dynamic Fracture. Applications. Indexes.
2,609 citations
"Laser-induced shock compression of ..." refers background or methods in this paper
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...The dislocation density can be expressed as a function of pressure, P, through one of the equations obtained directly from the Rankine–Hugoniot equations and the equation of state [22]:...
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...In a similar manner, the residual temperature, TR, can be obtained from [22]:...
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TL;DR: An improved description of copper and ironcylinder impact (Taylor) test results has been obtained through the use of dislocation-mechanics-based constitutive relations in the Lagrangian material dynamics computer program EPIC•2.
Abstract: An improved description of copper‐ and iron‐cylinder impact (Taylor) test results has been obtained through the use of dislocation‐mechanics‐based constitutive relations in the Lagrangian material dynamics computer program EPIC‐2. The effects of strain hardening, strain‐rate hardening, and thermal softening based on thermal activation analysis have been incorporated into a reasonably accurate constitutive relation for copper. The relation has a relatively simple expression and should be applicable to a wide range of fcc materials. The effect of grain size is included. A relation for iron is also presented. It also has a simple expression and is applicable to other bcc materials but is presently incomplete, since the important effect of deformation twinning in bcc materials is not included. A possible method of acounting for twinning is discussed and will be reported on more fully in future work. A main point made here is that each material structure type (fcc, bcc, hcp) will have its own constitutive beha...
1,718 citations
TL;DR: In this article, a constitutive expression for the twinning stress in BCC metals is developed using dislocation emission from a source and the formation of pile-ups, as rate-controlling mechanism.
1,366 citations
TL;DR: In this paper, a periodic relation between shear stress and atomic shear displacement is assumed to hold along the most highly stressed slip plane emanating from a crack tip, which allows some small slip displacement to occur near the tip in response to small applied loading and, with increase in loading, the incipient dislocation configuration becomes unstable and leads to a fully formed dislocation which is driven away from the crack.
Abstract: Dislocation nucleation from a stressed crack tip is analyzed based on the Peierls concept. A periodic relation between shear stress and atomic shear displacement is assumed to hold along the most highly stressed slip plane emanating from a crack tip. This allows some small slip displacement to occur near the tip in response to small applied loading and, with increase in loading, the incipient dislocation configuration becomes unstable and leads to a fully formed dislocation which is driven away from the crack. An exact solution for the loading at that nucleation instability is developed via the J -integral for the case when the crack and slip planes coincide, and an approximate solution is given when they do not. Solutions are also given for emission of dissociated dislocations, especially partial dislocation pairs in fcc crystals. The level of applied stress intensity factors required for dislocation nucleation is shown to be proportional to √γ us , where γ us , the unstable stacking energy, is a new solid state parameter identified by the analysis. It is the maximum energy encountered in the block-like sliding along a slip plane, in the Burgers vector direction, of one half of a crystal relative to the other. Approximate estimates of γ us are summarized and the results are used to evaluate brittle vs ductile response in fcc and bcc metals in terms of the competition between dislocation nucleation and Griffith cleavage at a crack tip. The predictions seem compatible with known behavior and also show that in many cases solids which are predicted to first cleave under pure mode I loading should instead first emit dislocations when that loading includes very small amounts of mode II and III shear. The analysis in this paper also reveals a feature of the near-tip slip distribution corresponding to the saddle point energy configuration for cracks that are loaded below the nucleation threshold, as is of interest for thermal activation.
1,320 citations
01 Jan 1940
TL;DR: In this paper, the size of a dislocation and critical shear stress for its motion were calculated for a single dislocation with respect to the size and motion of the dislocation.
Abstract: Calculations are made of the size of a dislocation and of the critical shear stress for its motion.
1,226 citations