Article
Materials Science, Multidisciplinary
Xu Wang, Wen Zhang, Yujie Zhong, Luchao Sun, Qiaodan Hu, Jingyang Wang
Summary: By introducing low energy GAP grain boundaries, single-crystal Al2O3/bi-crystal GAP eutectic ceramics were successfully prepared with ultra-low strain energy, showing potential for high-performance materials design.
Article
Engineering, Mechanical
Qinjia Wang, Yidong Wu, Jinbin Chen, Jinxia Song, Chengbo Xiao, Xidong Hui
Summary: This study demonstrates that B-induced improvement in low cycle fatigue (LCF) lifetime in single crystal superalloy turbine blades can be achieved by stabilising low angle grain boundaries (LAGB) through a delicate modulation of LAGB composition without using boride. The Binduced matrix softening featured by homogenous distribution of fatigue deform zones with high density of dislocations was also evidenced.
INTERNATIONAL JOURNAL OF FATIGUE
(2022)
Review
Materials Science, Multidisciplinary
Kozo Fujiwara, Lu-Chung Chuang, Kensaku Maeda
Summary: This review introduces some phenomena occurring during the solidification processes of multicrystalline Si and discusses the importance of crystal growth technology development for solar cell applications.
HIGH TEMPERATURE MATERIALS AND PROCESSES
(2022)
Article
Engineering, Mechanical
Markian P. Petkov, Elsiddig Elmukashfi, Edmund Tarleton, Alan C. F. Cocks
Summary: This study investigates the effects of grain-boundary sliding on the deformation behavior of polycrystalline aggregates using a computational framework that combines interface elements for sliding at grain boundaries and a crystal plasticity constitutive model. It is found that crystallographic orientation mismatch and anisotropic deformation play a significant role in determining the extent of grain boundary sliding. The study also quantifies the effects of grain boundary sliding on stress development within the grains and the increase in axial stress along transverse boundaries.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2021)
Article
Chemistry, Physical
A. Hassani, A. Khmich, A. Hasnaoui
Summary: Molecular dynamics simulations were used to investigate the structure of mismatched Al/Ni and Ag/Cu interfaces on low-index substrate surfaces. Embedded Atom Potentials were employed to mimic atomic interactions. The effect of substrate orientation on the adlayer structure was studied. Results showed that the adlayer on the (1 1 1) substrate exhibited a coincidence site lattice with a rotation (alpha) relative to the substrate, potentially containing dislocations and twin boundaries. Deposition of the adlayer on the substrate led to slight atom shuffling and dislocations in the substrate, producing rectangular structures. On the (001) substrate, the accommodation of a triangular structure on a square lattice (substrate) resulted in a shift of atomic rows and the formation of dislocations, with multiple square structures agglomerating to form a polycrystal with grain boundaries and vacancies. However, inward adsorption on the (1 1 0) substrate limited the extension of adsorbed atoms, resulting in linear cracks. Relaxation of atoms adsorbed on these cracks led to a change in vacancy shape from linear to staircase.
APPLIED SURFACE SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
T. S. Prithiv, Baptiste Gault, Yujiao Li, Dustin Andersen, Nathalie Valle, Santhana Eswara, Dirk Ponge, Dierk Raabe
Summary: The addition of boron (B) to steels significantly suppresses the austenite to ferrite phase transformation, increasing their hardenability. The mechanisms of B segregation and how exactly B suppresses the ferrite nucleation remain elusive.
Article
Materials Science, Multidisciplinary
Gashaw B. Bizana, Luis A. Barrales-Mora
Summary: Classical theories assume a linear correlation between grain boundary curvature and velocity, but recent experimental observations suggest a more complex relationship in polycrystalline materials. Molecular dynamics simulations of nanosized polycrystalline Al annealing were used to determine the velocity and curvature of approximately 12,000 grain boundaries. The study revealed differences in kinetics behavior at the grain and grain-boundary levels, with a clear correlation between grain boundary curvature and migration direction. However, when considering all grain boundaries, the correlation between velocity and curvature was found to be low, indicating the complexity of grain boundary migration. Factors such as grain boundary character, defect distributions, and stress distribution between neighboring grains were found to influence grain boundary migration behavior.
Article
Chemistry, Physical
Yu -Lin Chen, Yi-Ying Fang, Ming-Yen Lu, Pei Yuin Keng, Shou-Yi Chang
Summary: Ruthenium and molybdenum films were prepared with different thicknesses on various substrates. The microstructure, chemical compositions, bonding configurations, and interfacial adhesion were characterized. The study also examined the electrical resistivities with scaling and found that thermal annealing improved the properties by reducing intrinsic resistivity and grain boundary reflectivity. The results also suggested an inverse relationship between interface adhesion strength and interface permeability, which was influenced by the electronegativity of the metals.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Physical
Simon Sajan John, R. Abinaya, S. Harish, E. Senthil Kumar, J. Archana, M. Navaneethan
Summary: CoSb3 based skutterudites with unique crystal structure, high mobility, and high electrical conductivity show great potential as thermoelectric materials for mid-temperature applications. Lowering the thermal conductivity through the introduction of secondary phases/nanocomposites is an effective approach to enhance the thermoelectric performance. In this study, CoSb3 was synthesized by the solvothermal method, and its thermal conductivity was compared with that prepared by the arc melting technique. Laser-induced micro-Raman spectroscopy revealed a decrease in phonon lifetime due to local heat from high laser power. The presence of CoSb2 and semi-metallic Sb2O3 resulted in grain boundary/interface phonon scattering. Moreover, the influence of Umklapp process in phonon transport led to an ultra-low thermal conductivity reduction to 0.64 Wm-1K-1 at 753 K.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
F. H. Duan, Y. Lin, Q. Li, J. H. Luan, J. Lu, J. Pan, Y. Li
Summary: The study reveals that combining nanotwins, low-angle grain boundaries, and microalloying can result in superior combinations of high hardness and good thermal stability in Ni and Ni alloys.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Nanoscience & Nanotechnology
Ooraphan Chirayutthanasak, Rajchawit Sarochawikasit, Apiwat Wisitsorasak, Nopporn Rujisamphan, Timofey Frolov, Tomas Oppelstrup, Somsak Dangtip, Gregory S. Rohrer, Sutatch Ratanaphan
Summary: This study introduces a function for the grain boundary energy of tungsten, allowing the energy distribution of boundaries to be described by crystallographic parameters. The comparison between measured grain boundary areas and energies at difficult-to-determine misorientations shows inverse correlations, similar to observations in other metals.
SCRIPTA MATERIALIA
(2022)
Article
Materials Science, Multidisciplinary
Robert D. Moore, Timothy Beecroft, Gregory S. Rohrer, Christopher M. Barr, Eric R. Homer, Khalid Hattar, Brad L. Boyce, Fadi Abdeljawad
Summary: GB stiffness in Ni can be larger and more anisotropic than energy, with some boundary inclinations exhibiting negative stiffness. Results from this study are qualitatively consistent with experimental observations, providing new avenues for examining the plane normal dependency of GB properties in mesoscale treatments of GB migration and microstructural evolution.
Article
Materials Science, Multidisciplinary
Lin Wang, Zhipeng Long, Long Hou, Song Yan, Baode Sun, Xi Li
Summary: The effects of a high magnetic field on the evolution of the single-phase interface and the liquid-solid interface energy in Al-Cu alloy were investigated experimentally. It was found that the application of the magnetic field significantly promoted the migration of liquid droplets, accelerating the formation of the single-phase interface. The increase and decrease of the solid-liquid interface energy with the increase of the magnetic field were well explained based on the formation and interaction of the magnetic dipole at the solid-liquid interface. The magnetic-field-induced interface energy also affected the nucleation undercooling of different Cu alloys.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2023)
Article
Materials Science, Ceramics
Bryan Conry, Molly Kole, W. Ryan Burnett, Joel B. Harley, Michael R. Tonks, Michael S. Kesler, Amanda R. Krause
Summary: The role of anisotropic grain boundary energy in grain growth was investigated using textured microstructures. The textured microstructure exhibited faster growth and an increased population of low-angle boundaries compared to the untextured microstructure. AFM measurements showed that the grain boundary energy distribution narrowed and shifted to a lower average energy in the textured microstructure, while the energy distribution broadened in the untextured microstructure.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Physical
Xia Zhao, Min Wang, Xian-Chao Hao, Xiang-dong Zha, Ming Gao, Ying-Che Ma, Kui Liu
Summary: M23C6 carbides with a dendritic morphology were discovered for the first time in continuously cooled Alloy 690, mainly due to interfacial destabilization. The size of carbides, relative supersaturation, and constitutional undercooling are key factors influencing the formation of dendritic morphology. Additionally, the formation of dendritic morphology is sensitive to cooling rate and cannot occur at a rate lower than 2 degrees C/min.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Crystallography
Haruhiko Morito, Hisanori Yamane, Rie Y. Umetsu, Kozo Fujiwara
Summary: Type-II Na24Si136 clathrate octahedral single crystals surrounded by {111} facets were grown by evaporating Na from a molten mixture of Na4Si4 and Na9Sn4 at 823 K for 12 h. One of the obtained single crystals was used as a seed for the following single crystal growth of the type-II clathrate using the same method. The weight of the crystal grown with the seed was increased from 0.6 to 30.4 mg by repeating the seeded growth and was proportional to the surface area of the seed crystal.
Article
Crystallography
Genki Takakura, Mukannan Arivanandhan, Kensaku Maeda, Lu-Chung Chuang, Keiji Shiga, Haruhiko Morito, Kozo Fujiwara
Summary: The study investigated dendrite growth in Si1-xGex (0 < x < 1) melts, discovering twin-related dendrites and faceted dendrite growth before crystal/melt interface instability during directional solidification.
Article
Crystallography
Keiji Shiga, Atsuko Takahashi, Lu-Chung Chuang, Kensaku Maeda, Haruhiko Morito, Kozo Fujiwara
Summary: The study observed the formation of twin boundaries during directional solidification of compound semiconductor InSb. A groove formed at the junction of a solid-liquid interface and a sigma 9 grain-boundary, with rapid growth occurring to fill the groove. Calculations of the change in free energy associated with nucleation at the grain-boundary groove showed a preferential twin nucleation at the bottom of the groove, consistent with direct observations.
JOURNAL OF CRYSTAL GROWTH
(2022)
Article
Crystallography
Keiji Shiga, Kensaku Maeda, Haruhiko Morito, Kozo Fujiwara
Summary: This study observed the morphological transformation of solid-liquid interfaces during directional solidification of pure antimony. The interface morphology depended on the direction of solidification, and the formation of zig-zag shaped faces was observed. The zig-zag faces were bounded by equivalent {1(1) over bar 02} planes.
JOURNAL OF CRYSTAL GROWTH
(2022)
Article
Nanoscience & Nanotechnology
Lu-Chung Chuang, Kensaku Maeda, Haruhiko Morito, Kozo Fujiwara
Summary: In this study, in situ observation was used to investigate the eutectic growth of Ni-Si alloy. The results showed that a regular lamellar eutectic structure was formed by two intermetallic phases. It was also observed that the phase boundaries migrated rapidly and the lamellae enlarged significantly during the cooling stage, indicating the inaccuracy of measuring the lamellae spacing after solidification.
SCRIPTA MATERIALIA
(2022)
Article
Chemistry, Physical
Jun Nozawa, Satoshi Uda, Hiromasa Niinomi, Junpei Okada, Kozo Fujiwara
Summary: This study explored the use of heteroepitaxial growth to control the structure of colloidal crystal films, observing different growth modes and revealing their processes. Colloidal heteroepitaxy was confirmed to be a useful technique for controlling structure and enabling the exploration of novel colloidal self-assembly structures.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Crystallography
Haruhiko Morito, Kohei Futami, Kozo Fujiwara
Summary: This study investigates the influence of Na-Sn flux composition on the morphology and size of Na-Si clathrate crystals. The use of a flux leads to larger crystals with faceted surfaces. A Na9Sn4 solid phase precipitation inhibits the growth of Na-Si clathrate crystals at a specific ratio. Furthermore, synthesis conditions for obtaining type I crystals by conventional thermal decomposition in vacuum were established.
Article
Crystallography
Shashank Shekhar Mishra, Lu-Chung Chuang, Kensaku Maeda, Jun Nozawa, Haruhiko Morito, Kozo Fujiwara
Summary: This study investigates the growth rate of the crystal/melt interface along different crystallographic orientations. By comparing the growth rate on the {110} plane with that on other planes, it is observed that the growth rate on the {110} plane is faster. These differences may be attributed to the growth mode.
JOURNAL OF CRYSTAL GROWTH
(2022)
Article
Multidisciplinary Sciences
Keisuke Fukuda, Satoru Miyamoto, Masahiro Nakahara, Shota Suzuki, Marwan Dhamrin, Kensaku Maeda, Kozo Fujiwara, Yukiharu Uraoka, Noritaka Usami
Summary: A simple and low-cost method for large-area semiconductor growth on crystalline silicon is proposed. The use of alloyed paste for screen printing and annealing can lead to flat SiGe films with higher Ge composition.
SCIENTIFIC REPORTS
(2022)
Article
Materials Science, Multidisciplinary
Keiji Shiga, Yuichiro Murakami, Naoki Omura
Summary: The effect of electromagnetic stirring on the area and shape of intermetallic compounds in Al-Si-Fe alloys was studied during solidification. The phases formed were not influenced by electromagnetic stirring. Above a coil current frequency of 10 Hz, electromagnetic stirring caused fragmentation of dendritic a-Al, leading to coarsening of fi-Al9Fe2Si2 between fragmented a-Al grains. At a coil current frequency above 80 Hz, electromagnetic stirring decreased the aspect ratio of fi-Al9Fe2Si2 in Al-10%Si-1%Fe, while no such decrease was observed in other alloy compositions.
MATERIALS TRANSACTIONS
(2023)
Article
Physics, Multidisciplinary
Ayumi Moriya, Kosuke Nakayama, Tappei Kawakami, Kensaku Maeda, Atsuya Tokuyama, Seigo Souma, Chaoyu Chen, Jose Avila, Maria Carmen Asensio, Miho Kitamura, Koji Horiba, Hiroshi Kumigashira, Takashi Takahashi, Kozo Fujiwara, Kouji Segawa, Takafumi Sato
Summary: We conducted micro-/nanofocused angle-resolved photoemission spectroscopy (ARPES) on cleaved single-crystal surfaces of bismuth to investigate the spatially resolved electronic states. The dominant area of the cleaved surface exhibited the well-known Rashba-spin-split surface state, while the steplike region showed distinctly different band structure and fermiology originating from the hard-to-cleave surface. This unexpected mixture of electronic states is attributed to a twin boundary between crystal planes.
PHYSICAL REVIEW RESEARCH
(2023)
Review
Materials Science, Multidisciplinary
Kozo Fujiwara, Lu-Chung Chuang, Kensaku Maeda
Summary: This review introduces some phenomena occurring during the solidification processes of multicrystalline Si and discusses the importance of crystal growth technology development for solar cell applications.
HIGH TEMPERATURE MATERIALS AND PROCESSES
(2022)
Article
Nanoscience & Nanotechnology
Jie Zhang, Xiaoyang Chen, MingJian Ding, Jiaqiang Chen, Ping Yu
Summary: This study enhances the compositional inhomogeneity of relaxor ferroelectric thin films to improve their dielectric temperature stability. The prepared films exhibit a relatively high dielectric constant and a very low variation ratio of dielectric constant over a wide temperature range.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xiaoyu Chen, Ranran Zhang, Hao Zou, Ling Li, Qiancheng Zhu, Wenming Zhang
Summary: Polyaniline-manganese dioxide composites exhibit high conductivity, long discharge platform, and stable circulation, and the specific capacity is increased by providing additional H+ ions to participate in the reaction.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xutao Huang, Yinping Chen, Jianjun Wang, Gang Lu, Wenxin Wang, Zan Yao, Sixin Zhao, Yujie Liu, Qian Li
Summary: This study aims to establish a novel approach to better understand and predict the behavior of materials with multi-scale lamellar microstructures. High-resolution reconstruction and collaborative characterization methods are used to accurately represent the microstructure. The mechanical properties of pearlite are investigated using crystal plasticity simulation and in-situ scanning electron microscopy tensile testing. The results validate the reliability of the novel strategy.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Cheng Chen, Fanchao Meng, Jun Song
Summary: This study systematically investigated the unfaulting mechanism of single-layer interstitial dislocation loops in irradiated L12-Ni3Al. The unfaulting routes of the loops were uncovered and the symmetry breaking during the unfaulting processes was further elucidated. A continuum model was formulated to analyze the energetics of the loops and predict the unfaulting threshold.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Darshan Bamney, Laurent Capolungo
Summary: This work investigates the formation of adjoining twin pairs (ATPs) at grain boundaries (GBs) in hexagonal close-packed (hcp) metals, focusing on the co-nucleation (CN) of pairs of deformation twins. A continuum defect mechanics model is proposed to study the energetic feasibility of CN of ATPs resulting from GB dislocation dissociation. The model reveals that CN is preferred over the nucleation of a single twin variant for low misorientation angle GBs. Further analysis considering GB character and twin system alignment suggests that CN events could be responsible for ATP formation even at low m' values.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Bing Han, Zhengqian Fu, Guoxiang Zhao, Xuefeng Chen, Genshui Wang, Fangfang Xu
Summary: This study investigates the behavior of electric-field induced antiferroelectric to ferroelectric (AFE-FE) phase transition and reveals the evolution of atomic displacement ordering as the cause for the transition behavior changing from sharp to diffuse. The novel semi-ordered configuration results from the competing interaction between long-range displacement modulation and compositional inhomogeneity, which leads to a diffuse AFE-FE transition while maintaining the switching field.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Akib Jabed, Golden Kumar
Summary: This study demonstrates that cryogenic rejuvenation promotes homogeneous-like flow and increases ductility in metallic glass samples. Conversely, annealing has the opposite effect, resulting in a smoother fracture surface.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Xin Ji, Yan Chong, Satoshi Emura, Koichi Tsuchiya
Summary: A heterogeneous microstructure in Ti-15Mo-3Al alloy with heterogeneous distributions of Mo element and omega(iso) precipitates has achieved a four-fold increase in tensile ductility without a loss of tensile strength, by blocking the propagation of dislocation channels and preventing the formation of micro-cracks.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Amit Samanta, Prasanna Balaprakash, Sylvie Aubry, Brian K. Lin
Summary: This study proposes a combined large-scale first principles approach with machine learning and materials informatics to quickly explore the chemistry-composition space of advanced high strength steels (AHSS). The distribution of aluminum and manganese atoms in iron is systematically explored using first principles calculations to investigate low stacking fault energy configurations. The use of an automated machine learning tool, DeepHyper, speeds up the computational process. The study provides insights into the distribution of aluminum and manganese atoms in systems containing stacking faults and their effects on the equilibrium distribution.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Guowei Zhou, Yuanzhe Hu, Zizheng Cao, Myoung Gyu Lee, Dayong Li
Summary: In this work, a physics-constrained neural network is used to predict grain-level responses in FCC material by incorporating crystal plasticity theory. The key feature, shear strain rate of slip system, is identified based on crystal plasticity and incorporated into the loss function as physical constitutive equations. The introduction of physics constraints accelerates the convergence of the neural network model and improves prediction accuracy, especially for small-scale datasets. Transfer learning is performed to capture complex in-plane deformation of crystals with any initial orientations, including cyclic loading and arbitrary non-monotonic loading.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Pengfei Yang, Qichang Li, Zhongying Wang, Yuxiao Gao, Wei Jin, Weiping Xiao, Lei Wang, Fusheng Liu, Zexing Wu
Summary: In this study, the HER performance of Ru-based catalysts is significantly improved through the dual-doping strategy. The obtained catalyst exhibits excellent performance in alkaline freshwater and alkaline seawater, and can be stably operated in a self-assembled overall water splitting electrolyzer.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Ilias Bikmukhametov, Garritt J. Tucker, Gregory B. Thompson
Summary: Depositing a Ni-1at. % P film can facilitate the formation of multiple quintuple twin junctions, resulting in a five-fold twin structure and a pentagonal pyramid surface topology. The ability to control material structures offers opportunities for creating novel surface topologies, which can be used as arrays of field emitters or textured surfaces.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Zening Yang, Weiwei Sun, Zhengyu Sun, Mutian Zhang, Jin Yu, Yubin Wen
Summary: Multicomponent oxides (MCOs) have wide applications and accurately predicting their thermal expansion remains challenging. This study introduces an innovative attention-based deep learning model, which achieves improved performance by using two self-attention modules and demonstrates adaptability and interpretability.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Ze Liu, Cai Chen, Yuanxun Zhou, Lanting Zhang, Hong Wang
Summary: This study attempts to address the gap in cooling rates between thin film deposition and bulk metallic glass (BMG) casting by correlating the glass-forming range (GFR) determined from combinatorial materials chips (CMCs) with the glass-forming ability (GFA) of BMG. The results show that the full-width at half maximum (FWHM) of the first sharp diffraction peak (FSDP) is a good indicator of BMG GFA, and strong positive correlations between FWHM and the critical casting diameter (Dmax) are observed in various BMG systems. Furthermore, the Pearson correlation coefficients suggest possible similarities in the GFA natures of certain BMG pairs.
SCRIPTA MATERIALIA
(2024)
Article
Nanoscience & Nanotechnology
Mike Schneider, Jean-Philippe Couzinie, Amin Shalabi, Farhad Ibrahimkhel, Alberto Ferrari, Fritz Koermann, Guillaume Laplanche
Summary: This work aims to predict the microstructure of recrystallized medium and high-entropy alloys, particularly the density and thickness of annealing twins. Through experiments and simulations, a database is provided for twin boundary engineering in alloy development. The results also support existing theories and empirical relationships.
SCRIPTA MATERIALIA
(2024)
