Plasticity of hexagonal systems: Split slip modes and inverse Peierls relation in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>α</mml:mi></mml:math>-Ti

Kwaśniak, Piotr; Śpiewak, Piotr; Garbacz, Halina; Kurzydłowski, Krzysztof J.

doi:10.1103/physrevb.89.144105

Cited by 37 publications

(24 citation statements)

References 30 publications

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“…While deformation by twining is relatively well described, knowledge about dislocation nucleation and motion in Ti alloys is still very limited. The available reports show great capabilities of DFT in terms of dislocation nucleation prediction [4] and the substantial impact of alloying elements on SF stability [17,18], which in turn control the structure and mobility of dislocation cores [23,26,27]. Both restoring forces and SF energies of Ti alloys can be accurately determined by the GSFE calculations, and their changes are fundamental for understanding the solution strengthening mechanism.…”

Section: Introductionmentioning

confidence: 98%

“…Complex calculation of the a-Ti GSFE [4] revealed the existence of stable stacking fault (SF) configurations in all slip systems. The interplay of interstitial O with some of these faults was examined in Refs.…”

Section: Introductionmentioning

confidence: 99%

“…This unique phenomenon was correlated with the excess TB volume delocalized within 4e5 atomic planes, implying relatively large TB e solute interaction distance. It should also be noted that appropriate modification of the g curve calculation procedure [4] makes it possible to precisely determine the restoring forces of dislocations nucleation in all a-Ti slip systems. However, comprehensive GSFE studies of Ti based alloys are still unavailable.…”

Section: Introductionmentioning

confidence: 99%

“…Plastic deformation in a-Ti can be realized by four types of slip systems on three glide planes [3]: <1120> (0001) e <a> on the basal plane, I <1120> {1010} e <a> on prismatic plane, II <1120> {1011} e <a> on pyramidal plane, I <1123> {1011} e <cþa> on pyramidal plane (I and II symbols indicate larger and smaller interplanar distance, respectively [4]). The fifth deformation mode is twinning.…”

Section: Introductionmentioning

confidence: 99%

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Solid solution strengthening of hexagonal titanium alloys: Restoring forces and stacking faults calculated from first principles

2016

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Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Solid solution strengthening of hexagonal titanium alloys: Restoring forces and stacking faults calculated from first principles

2016

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“…Applying the new method to systems described by empirical potentials, the new γ-lines showed both qualitative and quantitative differences with those of the standard approach. The necessity of in-plane relaxation was also recognized in a few recent DFT calculations of the SF energy on some slip planes in Mg [11], Ti [12,13] and Zr [14,15,16,17], again showing strong effects of full relaxation on the predicted SF. While SF energy calculations with full relaxations are emerging, there has been no complete examination of the true stable SF energies, positions, and structures on all relevant slip planes across the family of hcp metals.…”

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confidence: 99%

Comprehensive first-principles study of stable stacking faults in hcp metals

2017

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The plastic deformation in hcp metals is complex, with the associated dislocation core structures and properties not well understood on many slip planes in most hcp metals. A first step in establishing the dislocation properties is to examine the stable stacking fault energy and its structure on relevant slip planes. However, this has been perplexing in the hcp structure due to additional in-plane displacements on both side of the slip plane. Here, density functional theory guided by crystal symmetry analysis is used to study all relevant stable stacking faults in 6 hcp metals (Mg, Ti, Zr, Re, Zn, Cd). Specially, the stable stacking fault energy, position, and structure on the Basal, Prism I and II, Pyramidal I and II planes are determined using all-periodic supercells with full atomic relaxation. All metals show similar stacking fault position and structure as dictated by crystal symmetry, but the associated stacking fault energy, being governed by the atomic bonding, differs significantly among them. Stacking faults on all the slip planes except the Basal plane show substantial out-of-plane displacements while stacking faults on the Prism II, Pyramidal I and II planes show additional in-plane displacements, all extending to multiple atom layers. The in-plane displacements are not captured in the standard computational approach for stacking faults, and significant differences are shown in the energies of such stacking faults between the standard approach and fully-relaxed case. The existence of well-defined stable stacking fault on the Pyramidal planes suggests zonal dislocations are unlikely. Calculations on the equilibrium partial separation further suggests c + a dissociation into three * Corresponding author Email address: zhaoxuan.wu@epfl.ch (Zhaoxuan Wu) Preprint submitted to Acta Materialia October 9, 2016This is a pre-print of the following article: Yin, Binglun; Wu, Zhaoxuan; Curtin, W.A. Acta Materialia 2017, 123, 223--234.. The formal publication is available at http://dx.doi.org/10.1016/j.actamat.2016.10.042 partials on the Pyramidal I plane is unlikely and c dissociation on Prism planes is unlikely to be stable against climb-dissociation onto the Basal planes in these metals.

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Nanostructured Bulk Titanium with Enhanced Properties—Strategies and Prospects for Dental Applications

Sotniczuk

Garbacz

2021

Adv Eng Mater

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Society is aging fast. The percentage of people aged above 65 years is forecast to rise from 12.4% (in 2000) to 23% by 2100. [1] The figures for 2030 for Europe and the United States are %20% and 30% respectively. [2] At present, almost 23% of US citizens over 65 are completely edentulous, creating great demand for dental replacements. [3] According to the compound annual growth rate (CAGR) forecast, the global dental market is expected to exceed $8 billion by the end of 2024, up from $4.46 billion in 2016. [1] Moreover, with rising life expectancy, modern implants have to serve much longer without requiring revision surgery. This is challenging, especially in the case of elderly people, who tend to suffer diseases that increase the risk of implant rejection. [2] Thus, advanced healthcare requires constant development in the design and fabrication of dental materials. Currently, commercially pure titanium (CP-Ti) is a leading metallic material in the global dental replacements market. [4] This is mainly due to its biocompatibility and high resistance to corrosion in body fluids. Those properties are governed by the presence of a passive layer on Ti surface, created by its strong tendency to oxidize. [5] Nanostructuring by large plastic deformation techniques is a promising approach to altering Ti properties that are essential for dental applications. [1,[6][7][8][9][10] While clinical trials have confirmed the successful application of dental implants fabricated from nanocrystalline Ti, [4,9] works are still ongoing to develop strategies aimed at enhancing biological response and antibacterial properties without impacting mechanical properties. [11][12][13][14] In this Review, we describe recent approaches taken to modify the properties of nanocrystalline Ti for biomedical applications. Our study focuses on the following aspects: (i) improving biomedical nano Ti properties through bulk and surface modifications, and (ii) the effect of microstructural changes induced by processing of nano Ti on the results of modifications. This analysis is prefaced by a brief description of the effect of nanostructure on Ti mechanical and functional properties.

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Plasticity of hexagonal systems: Split slip modes and inverse Peierls relation inα-Ti

Cited by 37 publications

References 30 publications

Solid solution strengthening of hexagonal titanium alloys: Restoring forces and stacking faults calculated from first principles

Solid solution strengthening of hexagonal titanium alloys: Restoring forces and stacking faults calculated from first principles

Comprehensive first-principles study of stable stacking faults in hcp metals

Nanostructured Bulk Titanium with Enhanced Properties—Strategies and Prospects for Dental Applications

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