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Transition-Metal Dichalcogenides: Anisotropic Collective Charge Excitations in Quasimetallic 2D Transition-Metal Dichalcogenides (Adv. Sci. 10/2020)

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Advanced science 2020年第10期7卷 2070055-2070055页

作者： Chi Sin Tang Xinmao Yin Ming Yang Di Wu Jing Wu Lai Mun Wong Changjian Li Shi Wun Tong Yung-Huang Chang Fangping Ouyang Yuan Ping Feng Shi Jie Wang Dongzhi Chi Mark B. H. Breese Wenjing Zhang Andrivo Rusydi Andrew T. S. Wee Department of Physics Faculty of Science National University of Singapore S12 Science Drive 3 Singapore 117551 Singapore NUS Graduate School for Integrative Sciences and Engineering National University of Singapore 21 Lower Kent Ridge Singapore 119077 Singapore Singapore Synchrotron Light Source (SSLS) National University of Singapore 5 Research Link Singapore 117603 Singapore Institute of Materials Research and Engineering (IMRE) A*STAR (Agency for Science Technology and Research) 2 Fusionopolis Way Innovis Singapore 138634 Singapore International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology Shenzhen University Shenzhen 518060 China School of Physics and Electronics Central South University No. 932 South Lushan Road Changsha Hunan 410083 China Department of Materials Science & Engineering National University of Singapore 9 Engineering Drive 1 Singapore 117575 Singapore Bachelor Program in Interdisciplinary Studies National Yunlin University of Science and Technology 123 University Road Section 3 Douliou Yunlin 64002 Taiwan

In article number https://***/10.1002/advs.201902726 , Xinmao Yin, Andrew T. S. Wee, and co‐workers observe 1D mid‐IR range anisotropic plasmons in quasi‐metallic WSe 2 and MoS 2 monolayers. In‐depth analysis reveals that the long‐range inter‐chain coupling is responsible for the 1D‐charge dynamics and the plasmon energy is dictated by the effects of spin–orbit coupling. Detailed investigation into these collective modes in 2D‐chained systems opens new opportunities for novel device applications and holds significant implications to the underlying mechanism that governs superconductivity in 2D‐transition‐metal dichalcogenide systems.

关键词： anisotropic charge dynamics phase transitions plasmons spectroscopic ellipsometry transition-metal dichalcogenides

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The Alumina Film Nanomorphology Formed to Improve the Corrosion Resistance of Al-2.0 wt% Fe Alloy as Result of the Laser Surface Melting Technique Applied

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Advances in Chemical engineering and science 2017年第1期7卷 10-22页

作者： Moises Meza Pariona Katieli Tives Micene Graduate Program in Engineering and Materials Science State University of Ponta Grossa (UEPG) Ponta Grossa Brazil

The laser surface remelting (LSR) treatment was performed to Al-2.0 wt% Fe alloy with a 2 kW Yb-fiber laser (IPG YLR-2000S). The substrate and laser-treated material characterization were executed using different techniques. Among them, the microstructure was analyzed by optical microscope, SEM, low-angle X-ray diffraction (LAXRD) and the corrosion test was made in aerated solution of 0.1 M H2SO4 at a temperature of 25°C ± 0.5°C. As result was shown, the micrograph of LSR-treated material displaying can be a fine cellular structure and the existence of certain nano-porosities and a similar to a nano-dendritic growth was observed too. The characteristic of melted zone was constituted of metastable phases according to the result of x-rays and the behavior corrosion as a result of the LSR-treated sample, which it was shown to be more resistant to corrosion than the untreated sample. A comparative study was carried out of the cyclic polarization of the laser-treated and untreated samples, demonstrating that the reduction and oxidation reverse peaks were not observed and being the cyclic polarization behavior was of irreversible character in both samples, however, the LSR-treated sample propitious the passivity on the surface also reduced the corrosion phenomena. Wherefore, this type of laser-treated alloy can be applied in the aerospace, aeronautic and automobilist industries.

关键词： Al-2.0 wt% Fe Alloy Laser-Treated Microstructure Low-Angle X-Ray Diffraction Cyclical Polarization

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Polycrystalline ZrTe5 Parametrized as a Narrow-Band-Gap Semiconductor for Thermoelectric Performance

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Physical Review Applied 2018年第1期9卷 014025-014025页

作者： Samuel A. Miller Ian Witting Umut Aydemir Lintao Peng Alexander J. E. Rettie Prashun Gorai Duck Young Chung Mercouri G. Kanatzidis Matthew Grayson Vladan Stevanović Eric S. Toberer G. Jeffrey Snyder Department of Materials Science and Engineering Northwestern University Evanston Illinois 60208 USA Department of Chemistry Koç University Sariyer Istanbul 34450 Turkey Applied Physics Graduate Program Northwestern University Evanston Illinois 60208 USA Materials Science Division Argonne National Laboratory Argonne Illinois 60439 USA National Renewable Energy Laboratory Golden Colorado 80401 USA Department of Metallurgical and Materials Engineering Colorado School of Mines Golden Colorado 80401 USA Department of Chemistry Northwestern University Evanston Illinois 60208 USA Department of Electrical Engineering and Computer Science Northwestern University Evanston Illinois 60208 USA Department of Physics Colorado School of Mines Golden Colorado 80401 USA

The transition-metal pentatellurides HfTe5 and ZrTe5 have been studied for their exotic transport properties with much debate over the transport mechanism, band gap, and cause of the resistivity behavior, including a large low-temperature resistivity peak. Single crystals grown by the chemical-vapor-transport method have shown an n−p transition of the Seebeck coefficient at the same temperature as a peak in the resistivity. We show that behavior similar to that of single crystals can be observed in iodine-doped polycrystalline samples but that undoped polycrystalline samples exhibit drastically different properties: they are p type over the entire temperature range. Additionally, the thermal conductivity for polycrystalline samples is much lower, 1.5 Wm−1 K−1, than previously reported for single crystals. It is found that the polycrystalline ZrTe5 system can be modeled as a simple semiconductor with conduction and valence bands both contributing to transport, separated by a band gap of 20 meV. This model demonstrates to first order that a simple two-band model can explain the transition from n- to p-type behavior and the cause of the anomalous resistivity peak. Combined with the experimental data, the two-band model shows that carrier concentration variation is responsible for differences in behavior between samples. Using the two-band model, the thermoelectric performance at different doping levels is predicted, finding zT=0.2 and 0.1 for p and n type, respectively, at 300 K, and zT=0.23 and 0.32 for p and n type at 600 K. Given the reasonably high zT that is comparable in magnitude for both n and p type, a thermoelectric device with a single compound used for both legs is feasible.

关键词： Band gap Charge density waves Hall effect Semimetals Spin-orbit coupling Thermoelectric effects Chalcogenides Semiconductor compounds

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Dynamical charge structure factor of a one-dimensional ionic Hubbard model in the low-energy region

arXiv

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arXiv 2018年

作者： Komaki, Yuhei Iwase, Yuma Yanagimatsu, Shogo Muta, Yoshiyuki Maeshima, Nobuya Hino, Ken-ichi Doctoral Program in Materials Science Graduate School of Pure and Applied Sciences University of Tsukuba Tsukuba Ibaraki305-8573 Japan College of Engineering Sciences University of Tsukuba Tsukuba305-8573 Japan Center for Computational Sciences University of Tsukuba Tsukuba305-8577 Japan Division of Materials Science University of Tsukuba Tsukuba305-8573 Japan

We present a numerical study of the charge dynamical structure factor N(k, ω) of a one-dimensional (1D) ionic Hubbard model in the Mott insulator (MI) phase. We show that the low-energy spectrum of N(k, ω) is expressed in terms of the spin operators for the spin degrees of freedom. Numerical results for the spin degrees of freedom, obtained by the Lanczos diagonalization method, well reproduce the low-energy spectrum of N(k, ω) of the 1D ionic Hubbard model. In addition, we show that these spectral peaks probe the dispersion of the spin-singlet excitations of the system and are observed in the wide parameter region of the MI phase. Copyright © 2018, The Authors. All rights reserved.

关键词： Numerical methods

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Fluorescent phenylthiazoles: Application as latent fingermark and their cytotoxicity against NOK-SI cell line

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Chemical Data Collections 2021年 33卷

作者： Bruno Nunes da Rosa Kristiane de Cássia Mariotti Bruna Silveira Pacheco Caroline Carapina da Silva Neftalí Lenin Villarreal Carreño Caroline Nicolodi Tais Poletti Allison Carlos Assunção Silva Adriana Fernandes da Silva Janice Luehring Giongo Rodrigo de Almeida Vaucher Tiago Franco de Oliveira Claudio Martin Pereira de Pereira Laboratory of Lipidomics and Bioorganic Bioforensics Research Group Federal University of Pelotas 96010 900 Pelotas RS Brazil National Institute of Forensic Science and Technology (INCT Forensic) Porto Alegre (RS) Pelotas (RS) Brazil Identification Group Brazilian Federal Police 90610-093 Porto Alegre RS Brazil Materials Science and Engineering Technology Development Center Federal University of Pelotas 96010-000 Pelotas RS Brazil Post-Graduate Program in Dentistry Department of Restorative Dentistry Dental School Federal University of Pelotas 96010 Pelotas RS Brazil Laboratory of Biochemistry Research and Molecular Biology of Microorganisms (LaPeBBiOM) Federal University of Pelotas 96010-900 Pelotas RS Brazil Pharmacosciences Department Federal University of Health Sciences of Porto Alegre Porto Alegre RS Brazil

Fingerprints are unique to each individual who contributes to human identification in forensic cases. In this sense, the present work aimed to synthesize 1H-pyrazol-1-yl-4-phenylthiazoles and apply them as powder agents to reveal latent finger marks as an alternative and low cost related to powders found on the market. The compounds were characterized by infrared; fluorescence; 1H NMR; 13C NMR; laser diffractometer and SEM. In addition, cytotoxicity was also evaluated in oral keratinocytes showing high cell viability. The result of the hemolytic assay revealed that compound 2a does not present red cell cytotoxicity. The prepared powders were applied to fingermarks deposited on different surfaces providing quality visualization at level three so that human identification is possible.

关键词： Forensic chemistry Fingermark Thiazoles Cytotoxicity Development powder

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Computational analysis for the rational design of anti-amyloid beta (Aβ) antibodies

arXiv

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arXiv 2018年

作者： Greene, D'Artagnan Po, Theodora Pan, Jennifer Tabibian, Tanya Luo, Ray Department of Molecular Biology and Biochemistry University of California IrvineCA92697 United States Chemical and Materials Physics Graduate Program University of California IrvineCA92697 United States Department of Biomedical Engineering University of California IrvineCA92697 United States Department of Chemical Engineering and Materials Science University of California IrvineCA92697 United States

Alzheimer’s Disease (AD) is a neurodegenerative disorder that lacks effective treatment options. Anti-amyloid beta (Aβ) antibodies are the leading drug candidates to treat AD, but the results of clinical trials have been disappointing. Introducing rational mutations into anti-Aβ antibodies to increase their effectiveness is a way forward, but the path to take is unclear. In this study, we demonstrate the use of computational fragment-based docking and MMPBSA binding free energy calculations in the analysis of anti-Aβ antibodies for rational drug design efforts. Our fragment-based docking method successfully predicted the emergence of the common EFRH epitope, MD simulations coupled with MMPBSA binding free energy calculations were used to analyze scenarios described in prior studies, and we introduced rational mutations into PFA1 to improve its calculated binding affinity towards the pE3-Aβ3−8 form of Aβ. Two out of four proposed mutations stabilized binding. Our study demonstrates that a computational approach may lead to an improved drug candidate for AD in the future. Copyright © 2018, The Authors. All rights reserved.

关键词： Antibodies

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Self-Compassion Around the World: Measurement Invariance of the Short Form of the Self-Compassion Scale (SCS-SF) Across 65 Nations, 40 Languages, Gender Identities, and Age Groups

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Mindfulness 2025年 1-28页

作者： Swami, Viren Tran, Ulrich S. Voracek, Martin Aavik, Toivo Ranjbar, Hamed Abdollahpour Adebayo, Sulaiman Olanrewaju Afhami, Reza Ahmed, Oli Aimé, Annie Akel, Marwan Al Halbusi, Hussam Alexias, George Ali, Khawla F. Alp-Dal, Nursel Alsalhani, Anas B. Álvarez-Solas, Sara Amaral, Ana Carolina Soares Andrianto, Sonny Aspden, Trefor Argyrides, Marios Aruta, John Jamir Benzon R. Atkin, Stephen Ayandele, Olusola Baceviciene, Migle Bahbouh, Radvan Ballesio, Andrea Barron, David Bellard, Ashleigh Bender, Sóley Sesselja Beydaǧ, Kerime Derya Birovljević, Gorana Blackburn, Marie-Ève Borja-Alvarez, Teresita Borowiec, Joanna Bozogáňová, Miroslava Bratland-Sanda, Solfrid Browning, Matthew H. E. M. Brytek-Matera, Anna Burakova, Marina Çakır-Koçak, Yeliz Camacho, Pablo Camilleri, Vittorio Emanuele Cazzato, Valentina Cerea, Silvia Chaiwutikornwanich, Apitchaya Chaleeraktrakoon, Trawin Chambers, Tim Chen, Qing-Wei Chen, Xin Chien, Chin-Lung Chobthamkit, Phatthanakit Choompunuch, Bovornpot Compte, Emilio J. Corrigan, Jennifer Cosmas, Getrude Cowden, Richard G. Czepczor-Bernat, Kamila Czub, Marcin da Silva, Wanderson Roberto Dadfar, Mahboubeh Dalley, Simon E. Dany, Lionel Datu, Jesus Alfonso D. de Carvalho, Pedro Henrique Berbert de Holanda Coelho, Gabriel Lins De Jesus, Avila Odia S. Debbabi, Sonia Harzallah Dhakal, Sandesh Di Bernardo, Francesca Dimitrova, Donka D. Dion, Jacinthe Dixson, Barnaby Donofrio, Stacey M. Drysch, Marius Du, Hongfei Dzhambov, Angel M. El-Jor, Claire Enea, Violeta Eskin, Mehmet Farbod, Farinaz Farrugia, Lorleen Fian, Leonie Fisher, Maryanne L. Folwarczny, Michał Frederick, David A. Fuller-Tyszkiewicz, Matthew Furnham, Adrian García, Antonio Alías Geller, Shulamit Ghisi, Marta Ghorbani, Alireza Martinez, Maria Angeles Gomez Gradidge, Sarah Graf, Sylvie Grano, Caterina Gyene, Gyöngyvér Hallit, Souheil Hamdan, Motasem Handelzalts, Jonathan E. Hanel, Paul H. P. Hawks, Steven R. Hekmati, Issa Helmy, Mai Hill, Tetiana Hina, Farah Holenweger, Geraldine Hřebíčková, Martina Ijabadeniyi, Olasupo Augustine Imam, Asma İ School of Psychology and Sport Science Anglia Ruskin University Cambridge United Kingdom Centre for Psychological Medicine Perdana University Kuala Lumpur Malaysia Department of Cognition Emotion and Methods in Psychology Faculty of Psychology University of Vienna Vienna Austria Institute of Psychology University of Tartu Tartu Estonia Department of Psychology Istinye University Istanbul Turkey Department of Psychology and Behavioural Studies Ekiti State University Ado-Ekiti Nigeria Department of Art Studies Tarbiat Modares University Tehran Iran Department of Psychology University of Chittagong Chattogram Bangladesh Department of Psychoeducation and Psychology Université du Québec en Outaouais Saint-Jérôme Canada INSPECT-LB: National Institute of Public Health Clinical Epidemiology and Toxicology Beirut Lebanon School of Pharmacy Lebanese International University Beirut Lebanon Department of Management Ahmed Bin Mohammad Military College Doha Qatar Faculty of Psychology Panteion University of Social and Political Sciences Athens Greece Royal College of Surgeons Ireland-Bahrain Adliya Bahrain Department of Midwifery Faculty of Health Sciences Munzur University Tunceli Turkey Department of Oral Medicine and Diagnostic Sciences Vision College of Dentistry and Nursing Vision Colleges Riyadh Saudi Arabia Facultad de Salud Universidad Internacional de La Rioja Logroño Spain Science and Technology of Southeast Minas Gerais Federal Institute of Education Barbacena Brazil Department of Psychology Universitas Islam Indonesia Yogyakarta Indonesia Department of Psychology Aberystwyth University Ceredigion United Kingdom Department of Psychology Neapolis University Pafos Paphos Cyprus Department of Psychology De La Salle University Manila Philippines Department of General Studies The Polytechnic Ibadan Nigeria Department of Psychology University of Ibadan Ibadan Nigeria Health Research and Innovation Science Centre Faculty of Health Sciences Klai

Objectives: The 12-item Self-Compassion Scale–Short Form (SCS–SF) is a widely used instrument for the assessment of self-compassion. To date, there have been few examinations of this instrument’s psychometric properties, particularly across nations and languages. Therefore, we used data from the Body Image in Nature Survey (BINS) to assess measurement invariance of the SCS–SF across nations, languages, gender identities, and age groups. Methods: Participants (N = 56,968) from 65 nations completed the SCS–SF in 40 languages. Using these data, we tested various hypothesised models of the SCS–SF in the total sample and, using multi-group confirmatory factor analysis, tested for invariance of the optimal model across national groups, languages, gender identities, and age groups. Results: In the total dataset, we found that an 11-item, 2-factor model (i.e., SCS-11) provided best fit to the data, with the two factors tapping distinct constructs of compassionate and uncompassionate self-responding. The SCS-11 was found to be partially scalar invariant across national groups and languages, and fully scalar invariant across gender identities and age groups. There was wide variation in latent means for the two factors, particularly across national groups and languages. Further analyses showed negligible associations between the two factors and sociodemographic variables, including marital status, financial security, and urbanicity. Conclusions: Our results suggest that it may be possible to derive a stable 2-factor model of the SCS–SF for use in cross-cultural research, but also highlight the likelihood of cross-national and cross-linguistic variations in the way that self-compassion is understood. © The Author(s) 2025.

关键词： Cross-cultural Measurement invariance Multi-group confirmatory factor analysis (MG-CFA) Self-Compassion Scale Short Form

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Analyses of protein cores reveal fundamental differences between solution and crystal structures

arXiv

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arXiv 2019年

作者： Mei, Zhe Treado, John D. Grigas, Alex T. Levine, Zachary A. Regan, Lynne O'Hern, Corey S. Integrated Graduate Program in Physical & Engineering Biology Yale University New HavenCT06520 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Mechanical Engineering & Materials Science Yale University New HavenCT06520 United States Graduate Program in Computational Biology & Bioinformatics Yale University New HavenCT06520 United States Department of Pathology Yale University New HavenCT06520 United States Department of Molecular Biophysics and Biochemistry Yale University New HavenCT06520 United States Institute of Quantitative Biology Biochemistry and Biotechnology Center for Synthetic and Systems Biology School of Biological Sciences University of Edinburgh Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

There have been several studies suggesting that protein structures solved by NMR spectroscopy and x-ray crystallography show significant differences. To understand the origin of these differences, we assembled a database of high-quality protein structures solved by both methods. We also find significant differences between NMR and crystal structures|in the root-mean-square deviations of the Cα atomic positions, identities of core amino acids, backbone and sidechain dihedral angles, and packing fraction of core residues. In contrast to prior studies, we identify the physical basis for these differences by modelling protein cores as jammed packings of amino-acid-shaped particles. We find that we can tune the jammed packing fraction by varying the degree of thermalization used to generate the packings. For an athermal protocol, we find that the average jammed packing fraction is identical to that observed in the cores of protein structures solved by x-ray crystallography. In contrast, highly thermalized packing-generation protocols yield jammed packing fractions that are even higher than those observed in NMR structures. These results indicate that thermalized systems can pack more densely than athermal systems, which suggests a physical basis for the structural differences between protein structures solved by NMR and x-ray crystallography. Copyright © 2019, The Authors. All rights reserved.

关键词： X ray crystallography

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Vectorial Holograms: Full‐Color Complex‐Amplitude Vectorial Holograms Based on Multi‐Freedom Metasurfaces (Adv. Funct. Mater. 21/2020)

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Advanced Functional materials 2020年第21期30卷

作者： Zi‐Lan Deng Mingke Jin Xuan Ye Shuai Wang Tan Shi Junhong Deng Ningbin Mao Yaoyu Cao Bai‐Ou Guan Andrea Alù Guixin Li Xiangping Li Guangdong Provincial Key Laboratory of Optical Fiber Sensing and Communications Institute of Photonics Technology Jinan University Guangzhou 510632 P. R. China Department of Materials Science and Engineering Shenzhen Institute for Quantum Science and Engineering Southern University of Science and Technology Shenzhen 518055 P. R. China Photonics Initiative Advanced Science Research Center City University of New York 85 St. Nicholas Terrace New York NY 10031 USA Physics Program The Graduate Center City University of New York 365 Fifth Avenue New York NY 10016 USA Department of Electrical Engineering City College of New York New York NY 10031 USA

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Processing-dependent thermal stability of a prototypical amorphous metal oxide

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Physical Review materials 2018年第5期2卷 053401-053401页

作者： Li Zeng Mahyar M. Moghadam D. Bruce Buchholz Ran Li Denis T. Keane Vinayak P. Dravid Robert P. H. Chang Peter W. Voorhees Tobin J. Marks Michael J. Bedzyk Graduate Program in Applied Physics Northwestern University Evanston Illinois 60208 USA Department of Materials Science and Engineering Northwestern University Evanston Illinois 60208 USA Northwestern Synchrotron Research Center Argonne Illinois 60439 USA Department of Chemistry Northwestern University Evanston Illinois 60208 USA Department of Physics and Astronomy Northwestern University Evanston Illinois 60208 USA

Amorphous metal oxides (AMOs) are important candidate materials for fabricating next-generation thin-film transistors. While much attention has been directed toward the synthesis and electrical properties of AMOs, less is known about growth conditions that allow AMOs to retain their desirable amorphous state when subjected to high operating temperatures. Using in situ x-ray scattering and level-set simulations, we explore the time evolution of the crystallization process for a set of amorphous In2O3 thin films synthesized by pulsed-laser deposition at deposition temperatures (Td) of −50, −25, and 0 °C. The films were annealed isothermally and the degree of crystallinity was determined by a quantitative analysis of the time-evolved x-ray scattering patterns. As expected, for films grown at the same Td, an increase in the annealing temperature TA led to a shorter delay prior to the onset of crystallization, and a faster crystallization rate. Moreover, when lowering the deposition temperature by 25 °C, a 40 °C increase in annealing temperature is needed to achieve the same time interval for the crystals to grow from 10 to 90% volume fraction of the sample. Films grown at Td=0∘C exhibited strong cubic texture after crystallization. A level-set method was employed to quantitatively model the texture that develops in the microstructures and to determine key parameters, such as the interface growth velocity, the nucleation density, and the activation energy. The differences observed in the crystallization processes are attributed to the changes in the atomic structure of the oxide and possible nanocrystalline inclusions that formed during the deposition of the amorphous phase.

关键词： Annealing Crystallization Electron diffraction Laser ablation Numerical techniques X-ray diffraction

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