Article
Engineering, Chemical
Wenguang Nan, Wei Pin Goh, Mohammad Tarequr Rahman
Summary: An improved linear model for elasto-plastic and adhesive contact is developed, with new correlations proposed and validated for key parameters estimation. The newly proposed contact model is applied to analyze single particle contact behavior upon impact and bulk particle flow behavior, showing a more cohesive behavior when contact plastic deformation is considered.
Article
Agricultural Engineering
Vadym Chibrikov, Piotr Mariusz Pieczywek, Justyna Cybulska, Artur Zdunek
Summary: This study examines the effect of hemicellulose addition on the elasto-plastic response of BC-hemicellulose composite films. The results show that different types of hemicellulose and their concentrations have opposite effects on the plastic deformation, maximum stress, and maximum strain of the composite films.
INDUSTRIAL CROPS AND PRODUCTS
(2023)
Article
Materials Science, Multidisciplinary
Adwait Gaikwad, Pavan V. Kolluru
Summary: This study investigates the direct effects of hydrogen bonding on the mechanical properties of glassy state polymers. By studying the mechanical behavior of amorphous polyvinylpyrrolidone (PVP) fibers bonded with tannic acid (TA), it is found that hydrogen bonding can improve the ductility, toughness, and thermal stability of the materials.
MACROMOLECULAR MATERIALS AND ENGINEERING
(2023)
Article
Chemistry, Physical
Leicheng Zhang, Chen Zhao, Qinping Jian, Maochun Wu, Tianshou Zhao
Summary: The lithiated silicon-sulfur full battery developed in this work addresses the unstable solid-electrolyte interphase (SEI) on the silicon anode and the side reactions with highly soluble polysulfides by utilizing pomegranate-structured hosts for both the anode and cathode. This battery achieves high reversible capacity, superior rate capability, and long cycle life.
JOURNAL OF POWER SOURCES
(2021)
Article
Materials Science, Multidisciplinary
Yang Xiong, Bo Lu, Ying Zhao, Yicheng Song, Junqian Zhang
Summary: The unexpected formation of lithiated-silicon sponge during cyclic charge of lithium-ion batteries with silicon anodes has been observed. The severe hollowing of silicon electrodes leads to irreversible deformation and the generation of new surfaces, greatly affecting the structural integrity and cycling stability of the cells. However, understanding of lithiated-silicon sponge remains a challenge.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2023)
Article
Chemistry, Multidisciplinary
Jingxu Zheng, Yue Deng, Jiefu Yin, Tian Tang, Regina Garcia-Mendez, Qing Zhao, Lynden A. Archer
Summary: Control of crystallography in metal electrodeposit films is crucial for long battery lifetimes, with the ARB process demonstrating significant improvements in crystallographic uniformity and plating/stripping performance. This concept can potentially be applied to various metal chemistries to develop highly reversible thin metal anodes, highlighting opportunities for future battery advancements.
ADVANCED MATERIALS
(2022)
Article
Mechanics
Qianyu Shi, Hongjun Yu, Licheng Guo, Liulei Hao, Kai Huang
Summary: A new plastic phase-field model is proposed in this study, which can better predict crack propagation and patterns in compressive stress states for elastoplastic materials compared to the conventional model.
ENGINEERING FRACTURE MECHANICS
(2022)
Article
Engineering, Civil
Mohit Gupta, Harpreet Singh, Ashraf Nawaz Khan, Puneet Mahajan, R. T. Durai Prabhakaran, R. Alagirusamy
Summary: A novel ply based non-linear material constitutive model is proposed for mechanical characterization of plain woven composite, with the ability to decouple plasticity and progressive damage effects. The study on basalt plain woven composite plays a crucial role in understanding the material properties through mechanical characterization and experiments.
THIN-WALLED STRUCTURES
(2021)
Article
Chemistry, Physical
Hee Tae Jeong, Jinho Jang, Dong Geun Lee, Dongwook Lee, Woo Jin Kim
Summary: Aluminum has been considered as a potential anode material for lithium-ion batteries due to its advantageous properties. This study introduces a strategy to enhance the mechanical stability of aluminum foil anode through grain refinement and strengthening. The research also presents a model to estimate invisible strain in real-time by monitoring the current during the lithiation process, providing a means to assess the structural integrity of the anode.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Materials Science, Multidisciplinary
Diao-Feng Li, Chun-Guang Bai, Zhi-Qiang Zhang, Hui-Bo Zhang, Nan Li, Jian Zhao
Summary: A novel compliant spinal fixation based on compliant mechanisms is designed to effectively reduce stress-shielding effect and adjacent segment degeneration (ASD), but it requires high properties of the used materials. Bulk metallic glasses (BMGs), as young biomaterials, demonstrate excellent comprehensive properties, making them attractive for compliant spinal fixation. In this study, the large deflection deformation behaviors of Zr61Ti2Cu25Al12 (at.%, ZT1) BMG beam were systematically investigated, including elastic, yielding, and plastic deformations. The theoretical nonlinear analytical solution curve predicts the load-deflection relation within the elastic deformation regime and assists in capturing the yielding event, serving as a powerful design tool for engineers. To accurately capture the beginning of the yielding event in biomedical implant applications, the concept of bending proof strength (sigma p,0.05%) with tiny permanent strain of 0.05% was proposed and determined, which is significant for setting the allowable operating limits of the basic flexible elements. The plastic deformation driven by the bending moment can be classified into two stages: the initial stage characterized by nucleation and intense interaction of shear bands, and the second stage dominated by the progressive propagation of shear bands and emergence of shear offsets. The plasticity of BMG beam structures depends on the BMG's inherent plastic zone size (rp), and when the half beam thickness is less than that of rp, the plastic deformation of BMGs behaves in a stable manner, effectively serving as the margin of safety.
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
(2024)
Article
Geosciences, Multidisciplinary
Evangelos Moulas, Yury Podladchikov, Konstantin Zingerman, Anatoly Vershinin, Vladimir Levin
Summary: Mineral inclusions can experience different stress conditions than their hosts due to differences in their thermo-elastic properties and the associated deformation. Finite volumetric deformation can explain the systematic differences amongst linear and non-linear elastic solutions. Plastic yielding and significant volume changes in mineral reactions can also affect stress predictions.
AMERICAN JOURNAL OF SCIENCE
(2023)
Article
Mechanics
Bao Qin, Zheng Zhong
Summary: A theoretical model for thermo-chemo-mechanically coupled problems considering plastic flow at large deformation is proposed, which predicts mechanical behavior of materials under thermal and chemical environments using chemical affinity and chemical potential as driving forces. A modified chemical kinetics is developed to satisfy the dissipation inequality, depending not only on species concentrations, but also on deformation, by incorporating the Eshelby stress into the chemical affinity to reflect the influence of deformation on the chemical kinetics.
INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES
(2021)
Article
Mechanics
Bao Qin, Zheng Zhong
Summary: This paper presents a coupled diffusion-reaction-deformation model for simulating the lithiation process of silicon electrodes in lithium ion batteries, which can describe the formation of the two-phase interface and the mechanical behaviors of Si electrodes during lithiation process.
ARCHIVE OF APPLIED MECHANICS
(2021)
Article
Materials Science, Multidisciplinary
Hamed Attariani, I. Valery Levitas
Summary: Oxidation is still a significant challenge in various industrial applications due to its coupled multi-physics nature. A general large-strain mechanochemical theory was developed to model anisotropic reaction/compositional strain, introducing a kinetic relationship between deviatoric reaction deformation rate and stress. The new model showed that deviatoric stress alters the chemical equilibrium constant and reaction rate through reaction-induced deviatoric stress.
Article
Chemistry, Physical
Benjamin E. Grossman-Ponemon, Ataollah Mesgarnejad, Alain Karma
Summary: Nanoporous silicon, created by liquid-metal-dealloying, exhibits higher capacity and extended cycle lifetimes in lithium-ion batteries. Using phase-field modeling, we investigate the elastoplastic swelling behavior and fracture of these nanoporous particles. Our simulations show that the network topology consisting of ligaments connected by bulbous, sphere-like nodes enhances mechanical stability.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Xueyou Zhang, Bo Wang, Yanzhou Ji, Fei Xue, Yi Wang, Long-Qing Chen, Ce-Wen Nan
Summary: Ferroelectric domain walls are crucial for determining the polarization switching kinetics and physical properties of ferroelectric materials. This study used first-principles calculations to evaluate the structures and energetics of different types of domain walls in PbTiO3 and BaTiO3. The results showed that the anisotropy of domain wall energy is higher in BaTiO3 than in PbTiO3 for the Ising-type 180 degrees walls. The emergence of Bloch component in PbTiO3 can lower the domain wall energy and reduce its anisotropy. This work provides a more accurate method for predicting the domain wall structures and energetics of ferroelectrics, which is important for developing domain wall nanoelectronics.
Article
Chemistry, Multidisciplinary
Lei Chen, Kuangshi Sun, Donghao Hu, Xianlong Su, Linna Guo, Jiamiao Yin, Yuetian Pei, Yiwei Fan, Qian Liu, Ming Xu, Wei Feng, Fuyou Li
Summary: Photochemical afterglow systems have attracted significant attention for their adjustable photophysical properties and potential applications. However, conventional photochemical afterglow lacks repeatability due to the consumption of energy cache units. In this study, we propose a novel strategy to achieve repeatable photochemical afterglow through the reversible storage of O-1(2). This strategy enables the generation of near-infrared afterglow with a lifetime over 10 s, and its initial intensity remains stable over 50 excitation cycles. Mechanism study confirms the repeatable photochemical afterglow is realized through singlet oxygen-sensitized fluorescence emission. The generality of this strategy is demonstrated, allowing for tunable afterglow lifetimes and colors through rational design. Furthermore, the repeatable photochemical afterglow is applied for attacker-misleading information encryption, providing repeatable readout.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Computer Science, Interdisciplinary Applications
Mae L. Sementilli, Matthew T. McGurn, James Chen
Summary: In this paper, a Volume of Fluid method with a Stratified Flow model is proposed to solve compressible multiphase flows with high parallel efficiency. The solver is a part of an open-source computing tool for studying fuel entrainment and combustion in paraffin-based hybrid rocket motors. The solver successfully reproduces shock tube cases and simulates two-dimensional shear and gravity-driven flows accurately. It also demonstrates near-ideal scaling and good performance in various scalability tests, implying improved computing efficiency for multiphase flow solvers.
INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS
(2023)
Article
Engineering, Mechanical
Tengwu He, Yuming Qi, Yanzhou Ji, Miaolin Feng
Summary: The influence of elemental segregation at grain boundaries on the mechanical properties of FeNiCrCoCu high entropy alloys under uniaxial load was explored using combined Monte Carlo and Molecular Dynamics simulations. The role of GB segregation was analyzed by comparing random and segregated configurations. It was found that the GB segregation trend is Ni.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2023)
Article
Multidisciplinary Sciences
Brandon F. F. Malone, Jason K. K. Perry, Paul Dominic B. Olinares, Hery W. W. Lee, James Chen, Todd C. C. Appleby, Joy Y. Y. Feng, John P. P. Bilello, Honkit Ng, Johanna Sotiris, Mark Ebrahim, Eugene Y. D. Chua, Joshua H. H. Mendez, Ed T. T. Eng, Robert Landick, Matthias Gotte, Brian T. T. Chait, Elizabeth A. A. Campbell, Seth A. A. Darst
Summary: This study used cryogenic-electron microscopy to observe the states of the SARS-CoV-2 replication-transcription complex bound to different natural nucleotide triphosphates (NTPs) and the active metabolite of the antiviral nucleoside analogue Remdesivir, Remdesivir triphosphate (RDV-TP), revealing the structural basis for NTP recognition and providing a theoretical basis for the design of antiviral drugs. The study also revealed the role of NiRAN in nucleotide recognition, strengthening the hypothesis of its involvement in the formation of the 5' RNA cap.
Article
Materials Science, Multidisciplinary
Rui Wang, Yanzhou Ji, Tian-Le Cheng, Fei Xue, Long-Qing Chen, You-Hai Wen
Summary: Oxide growth is a complex process involving reactive species transport, heterogeneous reactions, and microstructure evolution. We have developed a phase-field model to predict the growth kinetics of oxide in a multicomponent alloy during high temperature oxidation, with a focus on the transition from internal oxidation to external oxidation. We have analyzed and compared the predicted kinetics and oxide morphology with classical theories and an existing analytical model, discussing the assumptions and limitations of the analytical models. Additionally, we have demonstrated the importance of the morphology and distribution of initial oxide nuclei in the later stage oxide connectivity and transition to external oxidation.
Article
Materials Science, Multidisciplinary
Xueyou Zhang, Yanzhou Ji, Long-Qing Chen, Yi Wang
Summary: By conducting a first-principles investigation, we constructed 19 interfacial structure models including two spinel and one nonspinel γ-Al2O3 models, considering the possible orientation relationships with Al and different interfacial terminations. The Pinto model with (001)gamma||(111)Al orientation relation was found to have the lowest interfacial energy of 1.08 J/m2, attributed to the regularly distributed out-of-plane Al-O interfacial bonds. Our calculations provide the necessary interfacial structures and energetics for predicting the stabilities of the γ-Al2O3 film during oxidation of Al.
Article
Dentistry, Oral Surgery & Medicine
Shreyas Oza, Gordon Lai, Ove A. Peters, James Chen, Bekir Karabucak, Raymond Scott, Johnah C. Galicia
Summary: This study aimed to evaluate the impact of 3D printed models on endodontic surgical treatment planning and assess the effect on operator confidence. The results showed that the use of 3D printed models significantly improved the accuracy of bone landmark detection, prediction of osteotomy location, determination of osteotomy size, angle of instrumentation, involvement of critical structures in flap reflection, and involvement of vital structures during curettage. Moreover, it significantly increased the operator's confidence.
JOURNAL OF ENDODONTICS
(2023)
Article
Materials Science, Ceramics
Jason Sun, Yu Chen, Joseph J. Marziale, Eric A. Walker, David Salac, James Chen
Summary: A three-way coupled thermo-mechanical fracture model is presented to predict the damage of brittle ceramics, in particular a-SiC, over a wide range of temperatures (20-1400?). The model is implemented in MOOSE and divided into three modules: elasticity, damage phase field, and heat conduction. Validation tests are conducted for flexural strength and fracture toughness. The simulation results are in agreement with the experimental data. The parallel computing capabilities of the model are also considered in scalability tests.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Chemistry, Organic
Alma R. Perez, Evan C. Bornowski, Lei Chen, John P. Wolfe
Summary: The synthesis of indanes containing substituted cyanomethyl groups at C2 has been achieved through Pd-catalyzed coupling reactions. Alkenyl triflates were used to generate partially saturated analogues via similar transformations. The use of a preformed BrettPhosPd(allyl)(Cl) complex as a precatalyst was crucial for the success of these reactions.
Article
Multidisciplinary Sciences
Jin Young Kang, Tatiana V. Mishanina, Yu Bao, James Chen, Eliza Llewellyn, James Liu, Seth A. Darst, Robert Landick
Summary: Transcriptional pausing is an important mechanism for regulating cellular RNA synthesis. The interactions between DNA, RNA, and RNA polymerase can cause reversible conformational changes, leading to the formation of ePECs. The existence of multiple ePEC conformations has broad implications for transcriptional regulation.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Chemistry, Physical
Leqi Lin, Vashin Gautham Nanjangud Thyagaraja, Renoy Ranjith, Ruizhe Yang, Simone Ciampi, James Chen, Jun Liu
Summary: In this study, a new mechanism for efficient degradation of organic pollutants in water systems is demonstrated. Utilizing the tribovoltaic effect, electron-hole pairs are generated by mechanical energy at dynamic metal semiconductor contacts, leading to the generation of highly reactive radicals and the degradation of dye molecules. This mechano-catalysis mechanism offers versatile material selection and mechanical stimuli, suggesting its significance in cost-effective water treatment and green chemical synthesis.
Article
Materials Science, Multidisciplinary
Nazmul Huda, James Chen, Adrian P. Gerlich
Summary: Spot joints between aluminum and steel sheets were produced by cold metal transfer arc welding using an AlSi3Mn alloy low melting point filler wire. The thickness of the joint interface was significantly reduced by using optimal welding conditions, leading to better joint properties. Tensile shear and fatigue tests were conducted to evaluate the spot joints, revealing interfacial, sheet, and mixed-mode fractures in fatigue conditions.
FORCES IN MECHANICS
(2023)
Article
Chemistry, Multidisciplinary
Zhiyang Wang, Long-Qing Chen
Summary: This study reports the formation of polar skyrmion crystals with two-dimensional hexagonal symmetry in PbTiO3/SrTrO3 superlattices. A temperature-electric field topological phase diagram is constructed to demonstrate the stabilization of polar skyrmion crystals. The research shows the potential of manipulating topological phase transitions and long-range order through external fields.
Article
Mechanics
Rozie Zangeneh, Paul E. Desjardin, James Chen
Summary: The understanding of phenomena occurring in the turbulent boundary layer with surface blowing is currently limited, with significant disagreements in describing primary quantities. In this study, direct numerical simulations were used to investigate turbulent boundary layers with uniform surface mass transfers and scale the velocity profile. The analysis showed that higher mass transfer rates resulted in increased turbulent kinetic energy and significantly extended production rate in the inner layer. The findings provide insights for developing a functional law of the wall and a law of wake.
