Article
Physics, Multidisciplinary
Chao Yang, Jing Wang, Junsheng Wang, Yu Liu, Guomin Han, Haifeng Song, Houbing Huang
Summary: A multi-phase-field model was used to investigate the peritectic solidification of Fe-C alloy, showing the interactions between ferrite, austenite, and liquid phases, as well as the effects of carbon diffusion. The study revealed the influence of austenite nucleation position and clarified the formation mechanism of liquid phase channels and molten pools. This work contributes to understanding the micro-morphology and micro-segregation evolution mechanisms of Fe-C alloy during peritectic solidification.
Article
Mathematics, Applied
Qin Yang, Ang Zhang, Bin Jiang, Liang Gao, Zhipeng Guo, Jiangfeng Song, Shoumei Xiong, Fusheng Pan
Summary: Control of eutectic growth trajectory is technologically important. Convection affects eutectic growth by changing solute distribution and can lead to transitions between different eutectic patterns.
COMPUTERS & MATHEMATICS WITH APPLICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Marco Seiz, Michael Kellner, Britta Nestler
Summary: Solidification is a crucial process in alloy processing, and the resulting microstructure of alloys is typically composed of dendrites, eutectics, or both. The growth of these microstructures greatly affects materials properties, but little is known about the coupled growth of both microstructures. This study addresses this gap by developing a phase-field model that can simulate dendritic, eutectic, and dendritic-eutectic growth. Two-dimensional simulations demonstrate the presence of all three microstructures depending on composition and processing conditions. The impact of dendritic-eutectic growth on microstructural lengths, which determine materials properties, is investigated and hysteresis between eutectic growth and dendritic-eutectic growth is studied using solidification velocity jumps. Finally, qualitative three-dimensional simulations are conducted to examine morphological changes in the eutectic.
Article
Materials Science, Multidisciplinary
Umair Hussain, Gandham Phanikumar, Narasimhan Swaminathan
Summary: The multiphase field modelling is a powerful tool for understanding complex material transformation phenomena. The Ohno and Matsuura model, although consistent, faces challenges in numerical implementation due to the complicated nature of equations and the need for detailed understanding of the model parameters. This study utilizes an FEM based solver to investigate the use and impact of parameters on interface characteristics in a multiphase field model, and demonstrates how the model parameters can be adjusted to simulate common types of phase transformation.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Marco Seiz, Britta Nestler
Summary: The freeze casting process is a novel manufacturing method used for producing near net-shape parts and directed porous structures, with a wide range of pore shapes and sizes achievable by choosing different liquids and processing conditions. A phase-field model is developed to predict the resulting microstructure, linking thermodynamics with established theory. Directional solidification simulations are conducted to determine microstructural lengths and their linkages with processing parameters, establishing relationships between microstructure and processing conditions.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Huiqin Zhou, Hitoshi Miura, Yifan Dang, Yuma Fukami, Hisaki Takemoto, Shunta Harada, Miho Tagawa, Toru Ujihara
Summary: This study investigates the technological issues of solvent inclusions in the solution growth of silicon carbide and proposes methods to suppress their formation. Experimental observations and numerical simulations reveal that solvent inclusions are formed behind cellular structures. By increasing the carbon supply and diffusion coefficient, and adjusting the step height and solution flow direction, the formation of cellular structures can be suppressed. This study provides a comprehensive understanding of the formation process of cellular structures and solvent inclusions, and suggests a growth process to suppress their formation.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
J. F. Zhao, M. X. Li, H. P. Wang, B. Wei
Summary: The kinetic transition of solidification modes for refractory peritectic Nb54Ni46 alloy was investigated using melting spinning experiments, molecular dynamics simulation, and classical nucleation theory. The study revealed that the solidification mode shifts from peritectic solidification to direct precipitation of the peritectic phase with increasing roller speed. At higher roller speeds, nucleation of the peritectic phase is suppressed and the amorphous phase forms.
Article
Materials Science, Multidisciplinary
Chao Yang, Jing Wang, Hui Xing, Houbing Huang
Summary: A parabolic approximation scheme is proposed for the multi-phase-field simulation of non-isothermal solidification, offering improved efficiency and insights into the non-isothermal evolution of Ti-Al alloy solidification.
MATERIALS TODAY COMMUNICATIONS
(2021)
Article
Materials Science, Multidisciplinary
Yubao Xiao, Tie Liu, Yuxin Tong, Meng Dong, Jinshan Li, Jun Wang, Qiang Wang
Summary: The high magnetic field has a significant impact on the microstructural evolution of peritectic Al-Ni alloy during directional solidification, with a clear dependence on pulling speed. At low pulling speeds, the magnetic field triggers the appearance of the Al3Ni2 phase; at high speeds, it induces phase segregation and eutectic formation.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2021)
Article
Chemistry, Physical
Hui Fang, Qianyu Tang, Qingyu Zhang, Yiming Fan, Shiyan Pan, Markus Rettenmayr, Mingfang Zhu
Summary: In this study, a multi-phase cellular automaton (CA) model is used to simulate the quantitative behavior of peritectic phase transition. The effects of cooling rate/supersaturation and temperature on the kinetics of peritectic transformation in Fe-C alloys are investigated. The results show that supersaturation in the parent phases significantly affects the growth velocity of the L/gamma interface. The proposed CA model is then applied to simulate the microstructural evolution during peritectic reaction.
Article
Multidisciplinary Sciences
Ang Zhang, Bin Jiang, Zhipeng Guo, Jinglian Du, Qigui Wang, Fusheng Pan, Shoumei Xiong
Summary: The study investigates the thermal-solute-convection interaction during solidification through a high-performance numerical scheme. By utilizing a multilevel data structure and acceleration strategy, the computing efficiency is significantly improved, allowing for discussions on Al-Cu dendrite growth and its impact on microstructure evolution.
ADVANCED THEORY AND SIMULATIONS
(2021)
Article
Mathematics, Applied
Mikhail Vasin, Vladimir Ankudinov
Summary: The phase-field model combines the first-order phase transition model and gauge-field theory of glass transition to describe the competition between glass and crystal during solidification processes. A system of stochastic motion equations is presented to describe crystal-like short-range ordering and vitrification. The model successfully describes the glass-crystal competition during quenching with finite cooling speed and demonstrates the tendency towards amorphization with increased cooling rate.
MATHEMATICAL METHODS IN THE APPLIED SCIENCES
(2023)
Article
Mathematics, Applied
Mikhail Vasin, Vladimir Ankudinov
Summary: A theoretical model was proposed to describe the kinetics of competing phase formation and evolution, with numerical studies showing key properties relevant to experiments on metal amorphization. It was found that fast cooling leads to the favored selection of a disordered phase, followed by aging and continuous transition to a solid ordered phase. Further cooling leads to spinodal decomposition, with phase mobility playing a significant role in defect migration dynamics.
MATHEMATICAL METHODS IN THE APPLIED SCIENCES
(2022)
Article
Materials Science, Multidisciplinary
Jiahao Wang, Shiyan Pan, Yongshen Li, Xiaoping Shen, Qingyu Zhang, Di Jia
Summary: A quantitative multi-phase field model is used to simulate the peritectic reaction in Fe-Ni alloys at low undercoolings. The remelting of delta-ferrite and solute mixing contribute to rapid growth of gamma-platelet. A new Pe' clet number based on the lateral shift is introduced to quantify the rate of remelting and its impact on the reaction. The diffusion-controlled mechanism is investigated by studying the scaling relations between undercooling and tip properties.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Review
Materials Science, Multidisciplinary
Ang Zhang, Zhipeng Guo, Bin Jiang, Shoumei Xiong, Fusheng Pan
Summary: Recent advances in improving computational efficiency of phase-field simulations of solidification microstructures are summarized. The parallel progress of four typical approaches, including multigrid, adaptive mesh refinement method, semi-implicit Fourier spectral method, and graphical processing units (GPUs) architecture, is highlighted. Large-scale spatiotemporal simulations successfully cover essential aspects of multiphysics using these algorithms. The principles, applications, and comparison of the four algorithms are discussed, along with an outline of solidification theories and discretization methods.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Y. Liu, K. Zweiacker, C. Liu, J. T. McKeown, J. M. K. Wiezorek
Summary: The evolution of rapid solidification microstructure and solidification interface velocity of hypereutectic Al-20at.%Cu alloy after laser melting has been studied experimentally. It was found that the formation of microstructure was dominated by eutectic, alpha-cell, and banded morphology grains, and the growth modes changed with increasing interface velocity.
Article
Materials Science, Multidisciplinary
Bharat Gwalani, Julian Escobar, Miao Song, Jonova Thomas, Joshua Silverstein, Andrew Chihpin Chuang, Dileep Singh, Michael P. Brady, Yukinori Yamamoto, Thomas R. Watkins, Arun Devaraj
Summary: Castable alumina forming austenitic alloys exhibit superior creep life and oxidation resistance at high temperatures. This study reveals the mechanism behind the enhanced creep performance of these alloys by suppressing primary carbide formation and offers a promising alloy design strategy for high-temperature applications.
Article
Materials Science, Multidisciplinary
Jian Song, Qi Zhang, Songsong Yao, Kunming Yang, Houyu Ma, Jiamiao Ni, Boan Zhong, Yue Liu, Jian Wang, Tongxiang Fan
Summary: Recent studies have shown that achieving an atomically flat surface for metals can greatly improve their oxidation resistance and enhance their electronic-optical applications. Researchers have explored the use of graphene as a covering layer to achieve atomically flat surfaces. They found that high-temperature deposited graphene on copper surfaces formed mono-atomic steps, while annealed copper and transferred graphene on copper interfaces formed multi-atomic steps.
Article
Materials Science, Multidisciplinary
Jennifer A. Glerum, Jon-Erik Mogonye, David C. Dunand
Summary: Elemental powders of Al, Ti, Sc, and Zr are blended and processed via laser powder-bed fusion to create binary and ternary alloys. The microstructural analysis and mechanical testing show that the addition of Ti results in the formation of primary precipitates, while the addition of Sc and Zr leads to the formation of fine grain bands. The Al-0.25Ti-0.25Zr alloy exhibits comparable strain rates to Al-0.5Zr at low stresses, but significantly higher strain rates at higher stresses during compressive creep testing. Finite element modeling suggests that the connectivity of coarse and fine grain regions is a critical factor affecting the creep resistance of the alloys.
Article
Materials Science, Multidisciplinary
P. Jannotti, B. C. Hornbuckle, J. T. Lloyd, N. Lorenzo, M. Aniska, T. L. Luckenbaugh, A. J. Roberts, A. Giri, K. A. Darling
Summary: This work characterizes the thermo-mechanical behavior of bulk nanocrystalline Cu-Ta alloys under extreme conditions. The experiments reveal that the alloys exhibit unique mechanical properties, behaving differently from conventional nanocrystalline Cu. They do not undergo grain coarsening during extrusion and exhibit behavior similar to coarse-grained Cu.
Article
Materials Science, Multidisciplinary
Yiqing Wei, Jingwei Li, Daliang Zhang, Bin Zhang, Zizhen Zhou, Guang Han, Guoyu Wang, Carmelo Prestipino, Pierric Lemoine, Emmanuel Guilmeau, Xu Lu, Xiaoyuan Zhou
Summary: This study proposes a new strategy to modify microstructure by phase regulation, which can simultaneously enhance carrier mobility and reduce lattice thermal conductivity. The addition of Cu in layered SnSe2 induces a phase transition that leads to increased grain size and reduced stacking fault density, resulting in improved carrier mobility and lower lattice thermal conductivity.
Article
Materials Science, Multidisciplinary
Jia Chen, Zhengyu Zhang, Eitan Hershkovitz, Jonathan Poplawsky, Raja Shekar Bhupal Dandu, Chang-Yu Hung, Wenbo Wang, Yi Yao, Lin Li, Hongliang Xin, Honggyu Kim, Wenjun Cai
Summary: In this study, the structural origin of the pH-dependent repassivation mechanisms in multi-principal element alloys (MPEA) was investigated using surface characterization and computational simulations. It was found that selective oxidation in acidic to neutral solutions leads to enhanced nickel enrichment on the surface, resulting in reduced repassivation capability and corrosion resistance.
Article
Materials Science, Multidisciplinary
X. Y. Xu, C. P. Huang, H. Y. Wang, Y. Z. Li, M. X. Huang
Summary: The limited slip systems of magnesium (Mg) and its alloys hinder their wide applications. By conducting tensile straining experiments, researchers discovered a rate-dependent transition in the dislocation mechanisms of Mg alloys. At high strain rates, glissile dislocations dominate, while easy-glide dislocations dominate at low strain rates. Abundant glissile dislocations do not necessarily improve ductility.
Article
Materials Science, Multidisciplinary
M. S. Szczerba, M. J. Szczerba
Summary: Inverse temperature dependences of the detwinning stress were observed in face-centered cubic deformation twins in Cu-8at.%Al alloy. The detwinning stress increased with temperature when the pi detwinning mode was involved, but decreased when the pi/3 mode was involved. The dual effect of temperature on the detwinning stress was due to the reduction of internal stresses pre-existing within the deformation twins. The complete reduction of internal stresses at about 530 degrees C led to the equivalence of the critical stresses of different detwinning modes and a decrease in the yield stress anisotropy of the twin/matrix structure.
Article
Materials Science, Multidisciplinary
Taowen Dong, Tingting Qin, Wei Zhang, Yaowen Zhang, Zhuoran Feng, Yuxiang Gao, Zhongyu Pan, Zixiang Xia, Yan Wang, Chunming Yang, Peng Wang, Weitao Zheng
Summary: The interaction between the electrode and the electric double layer (EDL) significantly influences the energy storage mechanism. By studying the popular alpha-Fe2O3 electrode and the EDL interaction, we find that the energy storage mechanism of the electrode can be controlled by modulating the EDL.
Article
Materials Science, Multidisciplinary
Matthew R. Barnett, Jun Wang, Sitarama R. Kada, Alban de Vaucorbeil, Andrew Stevenson, Marc Fivel, Peter A. Lynch
Summary: The elastic-plastic transition in magnesium alloy Mg-4.5Zn exhibits bursts of deformation, which are characterized by sudden changes in grain orientation. These bursts occur in a coordinated manner among nearby grains, with the highest burst rate observed at the onset of full plasticity. The most significant burst events are associated with twinning, supported by the observation of twinned structures using electron microscopy. The bursts are often preceded and followed by a stasis in peak movement, indicating a certain "birth size" for twins upon formation and subsequent growth at a later stage.
Article
Materials Science, Multidisciplinary
Vaidehi Menon, Sambit Das, Vikram Gavini, Liang Qi
Summary: Understanding solute segregation thermodynamics is crucial for investigating grain boundary properties. The spectral approach and thermodynamic integration methods can be used to predict solute segregation behavior at grain boundaries and compare with experimental observations, thus aiding in alloy design and performance control.
Article
Materials Science, Multidisciplinary
Feiyu Qin, Lei Hu, Yingcai Zhu, Yuki Sakai, Shogo Kawaguchi, Akihiko Machida, Tetsu Watanuki, Yue-Wen Fang, Jun Sun, Xiangdong Ding, Masaki Azuma
Summary: This study reports on the negative and zero thermal expansion properties of Cd2Re2O7 and Cd1.95Ni0.05Re2O7 materials, along with their ultra-low thermal conductivity. Through investigations of their structures and phonon calculations, the synergistic effect of local structure distortion and soft phonons is revealed as the key to achieving these distinctive properties.
Article
Materials Science, Multidisciplinary
Thomas Beerli, Christian C. Roth, Dirk Mohr
Summary: A novel testing system for miniature specimens is designed to characterize the plastic response of materials for which conventional full-size specimens cannot be extracted. The system has an automated operation process, which reduces the damage to specimens caused by manual handling and improves the stability of the test results. The experiments show that the miniature specimens extracted from stainless steel and aluminum have high reproducibility, and the results are consistent with those of conventional-sized specimens. A correction procedure is provided to consider the influence of surface roughness and heat-affected zone caused by wire EDM.
Article
Materials Science, Multidisciplinary
Rani Mary Joy, Paulius Pobedinskas, Nina Baule, Shengyuan Bai, Daen Jannis, Nicolas Gauquelin, Marie-Amandine Pinault-Thaury, Francois Jomard, Kamatchi Jothiramalingam Sankaran, Rozita Rouzbahani, Fernando Lloret, Derese Desta, Jan D'Haen, Johan Verbeeck, Michael Frank Becker, Ken Haenen
Summary: This study investigates the influence of film microstructure and composition on the Young's modulus and residual stress in nanocrystalline diamond thin films. The results provide insights into the mechanical properties and intrinsic stress sources of these films, and demonstrate the potential for producing high-quality nanocrystalline diamond films under certain conditions.