Crystal Dislocations Their Impact on Physical Properties of Crystals Edited by Peter Lagerlof Printed Edition of the Special Issue Published in Crystals www.mdpi.com/journal/crystals Crystal Dislocations: Their Impact on Physical Properties of Crystals Crystal Dislocations: Their Impact on Physical Properties of Crystals Special Issue Editor Peter Lagerlof MDPI • Basel • Beijing • Wuhan • Barcelona • Belgrade Special Issue Editor Peter Lagerlof Case Western Reserve University USA Editorial Office MDPI St. Alban-Anlage 66 4052 Basel, Switzerland This is a reprint of articles from the Special Issue published online in the open access journal Crystals (ISSN 2073-4352) from 2017 to 2018 (available at: https://www.mdpi.com/journal/crystals/special issues/Crystal Dislocations) For citation purposes, cite each article independently as indicated on the article page online and as indicated below: LastName, A.A.; LastName, B.B.; LastName, C.C. Article Title. 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Contents About the Special Issue Editor ...................................... vii Peter Lagerlof Crystal Dislocations: Their Impact on Physical Properties of Crystals Reprinted from: Crystals 2018, 8, 413, doi:10.3390/cryst8110413 .................... 1 Atsutomo Nakamura, Eita Tochigi, Ryota Nagahara, Yuho Furushima, Yu Oshima, Yuichi Ikuhara, Tatsuya Yokoi and Katsuyuki Matsunaga Structure of the Basal Edge Dislocation in ZnO Reprinted from: Crystals 2018, 8, 127, doi:10.3390/cryst8030127 .................... 4 Jianjun Bian, Hao Zhang, Xinrui Niu and Gangfeng Wang Anisotropic Deformation in the Compressions of Single Crystalline Copper Nanoparticles Reprinted from: Crystals 2018, 8, 116, doi:10.3390/cryst8030116 .................... 14 Jianwei Wang, Ting Sun, Weiwei Xu, Xiaozhi Wu and Rui Wang Interface Effects on Screw Dislocations in Heterostructures Reprinted from: Crystals 2018, 8, 28, doi:10.3390/cryst8010028 .................... 25 Sijie Li, Hongyun Luo, Hui Wang, Pingwei Xu, Jun Luo, Chu Liu and Tao Zhang Stable Stacking Faults Bounded by Frank Partial Dislocations in Al7075 Formed through Precipitate and Dislocation Interactions Reprinted from: Crystals 2017, 7, 375, doi:10.3390/cryst7120375 .................... 36 Peitang Wei, Cheng Lu, Huaiju Liu, Lihong Su, Guanyu Deng and Kiet Tieu Study of Anisotropic Plastic Behavior in High Pressure Torsion of Aluminum Single Crystal by Crystal Plasticity Finite Element Method Reprinted from: Crystals 2017, 7, 362, doi:10.3390/cryst7120362 .................... 42 Atsutomo Nakamura, Kensuke Yasufuku, Yuho Furushima, Kazuaki Toyoura, K. Peter D. Lagerl¨of and Katsuyuki Matsunaga Room-Temperature Plastic Deformation of Strontium Titanate Crystals Grown from Different Chemical Compositions Reprinted from: Crystals 2017, 7, 351, doi:10.3390/cryst7110351 .................... 53 Shahriyar Keshavarz, Zara Molaeinia, Andrew C. E. Reid and Stephen A. Langer Morphology Dependent Flow Stress in Nickel-Based Superalloys in the Multi-Scale Crystal Plasticity Framework Reprinted from: Crystals 2017, 7, 334, doi:10.3390/cryst7110334 .................... 62 Lin Hu, Rui-hua Nan, Jian-ping Li, Ling Gao and Yu-jing Wang Phase Transformation and Hydrogen Storage Properties of an La7.0Mg75.5Ni17.5 Hydrogen Storage Alloy Reprinted from: Crystals 2017, 7, 316, doi:10.3390/cryst7100316 .................... 84 Francesco Montalenti, Fabrizio Rovaris, Roberto Bergamaschini, Leo Miglio, Marco Salvalaglio, Giovanni Isella, Fabio Isa and Hans von K¨anel Dislocation-Free SiGe/Si Heterostructures Reprinted from: Crystals 2018, 8, 257, doi:10.3390/cryst8060257 .................... 92 v Kristof Szot, Christian Rodenbucher, ¨ Gustav Bihlmayer, Wolfgang Speier, Ryo Ishikawa, Naoya Shibata and Yuichi Ikuhara Influence of Dislocations in Transition Metal Oxides on Selected Physical and Chemical Properties Reprinted from: Crystals 2018, 8, 241, doi:10.3390/cryst8060241 ....................108 Jonathan Amodeo, S´ebastien Merkel, Christophe Tromas, Philippe Carrez, Sandra Korte-Kerzel, Patrick Cordier and J´erˆome Chevalier Dislocations and Plastic Deformation in MgO Crystals: A Review Reprinted from: Crystals 2018, 8, 240, doi:10.3390/cryst8060240 ....................185 Thomas Hadfield Simm Peak Broadening Anisotropy and the Contrast Factor in Metal Alloys Reprinted from: Crystals 2018, 8, 212, doi:10.3390/cryst8050212 ....................238 Eita Tochigi, Atsutomo Nakamura, Naoya Shibata and Yuichi Ikuhara α Dislocation Structures in Low-Angle Grain Boundaries of -Al2O3 Reprinted from: Crystals 2018, 8, 133, doi:10.3390/cryst8030133 ....................269 Yohichi Kohzuki Study on Dislocation-Dopant Ions Interaction in Ionic Crystals by the Strain-Rate Cycling Test during the Blaha Effect Reprinted from: Crystals 2018, 8, 31, doi:10.3390/cryst8010031 ....................283 vi About the Special Issue Editor K. Peter D. Lagerlof received his Ph.D. from Case Western Reserve University in 1984. Following a post-doctoral fellowship at CWRU, he worked at Chalmers University of Technology and the Swedish Ceramic Institute in Gothenburg, Sweden, and in 1987 joined the faculty at CWRU as an Assistant Professor; he was promoted to Associate Professor in 1994. His major interest is in the mechanical properties of ceramic materials, particularly how low temperature deformation twinning is related to deformation via dislocation slip at elevated temperatures. This relationship was studied both theoretically and experimentally in sapphire (α-Al2O3), and was generalized to other materials systems, including bcc metals and other ceramics. He has over 80 publications in peer-reviewed journals. vii crystals Editorial Crystal Dislocations: Their Impact on Physical Properties of Crystals Peter Lagerlof Department of Materials Science and Engineering, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106-7204, USA; [email protected]; Tel.: +1-216-368-6488 Received: 1 November 2018; Accepted: 1 November 2018; Published: 3 November 2018 It is rare to find technical applications involving a material of any crystal structure that is not impacted by dislocations—which affect the material’s mechanical properties, interfaces, martensitic phase transformations, crystal growth, and electronic properties, to name a few. In many systems the properties are controlled by the formation of partial dislocations separated by a stacking fault; for example, plastic deformation via dislocation slip and plastic deformation via deformation twinning. In other systems the electronic properties are affected by acceptor or donor states associated with changes of the electronic state of atoms corresponding to the dislocation core of perfect or partial dislocations. Crystal growth often occurs at growth ledges, which can be associated with dislocations. This Special Issue on “Crystal Dislocations: Their Impact on Physical Properties of Crystals” covers a broad range of physical properties involving dislocations and their impact on crystal properties, and contains a mixture of review articles and original contributions. The influence of dislocations on properties in transition metal oxides was reviewed by Szot et al. [1]. Their review focuses on the important role of dislocations in the insulator-to-metal transition and for redox processes in prototypic binary and ternary oxides (such as TiO2 and SrTiO3) examined using transition electron microscopy (TEM) and scanning probe microscopy (SPM) techniques combined with classical etch pits methods. Since dislocations play a critical role in the plastic deformation of materials, several contributions deal with a detailed understanding of dislocations and their influence on the mechanical properties of materials. The plastic deformation in magnesium oxide crystals, MgO, being an archetypal ionic ceramic with refractory properties of interest in several fields of applications such as ceramic materials fabrication, nanoscale engineering, and earth sciences, was reviewed by Amodeo et al. [2]. Their review describes how a combined approach of macro-mechanical tests, multi-scale modeling, nano-mechanical tests, and high-pressure experiments and simulations have helped to improve the understanding of the mechanical behavior of MgO and elementary dislocation-based processes. The structure of the basal edge dislocations in ZnO was examined by Nakamura et al. [3]. The dislocation core structure was observed using scanning transmission electron microscopy (STEM) at atomic resolution, and it was found that a basal edge dislocation dissociated into 1/3 1100 and 1/3 1010 partial dislocations on the (0001) plane, separated by a stacking fault with a stacking fault energy of 0.14 J/m2. The importance of stoichiometry on the mechanical properties of SrTiO3 was also examined by Nakamura et al. [4] through studies of the room-temperature plasticity of strontium titanate crystals grown from source materials having varying Sr/Ti ratios. It was found that the flow stresses of SrTiO3 crystals grown from a powder with a