Article
Chemistry, Physical
Sourabh Kumar, Felix Zeller, Tim Stauch
Summary: This study introduces a general method to restore force-activated mechanophores to their deactivated form using hydrostatic pressure. The research shows that repeated activation and deactivation of mechanophores can be achieved through mechanical stretching and hydrostatic compression.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Physics, Condensed Matter
Daniel Stasko, Jaroslav Valenta, Marie Kratochvilova, Jiri Prchal, Petr Proschek, Milan Klicpera
Summary: The study focuses on the pressure-induced superconductivity in CeRhSi(3) and CeIrSi(3) compounds at higher pressures, revealing a gradual suppression of superconducting state with increasing pressure, forming a typical dome. It is expected that pressure-induced superconductivity will be completely suppressed between 4.5 and 5.0 GPa.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2021)
Article
Materials Science, Multidisciplinary
Chuanjie Cui, Rujin Ma, Emilio Martinez-Paneda
Summary: In this study, a new theoretical and numerical framework for modelling mechanically-assisted corrosion in elastic-plastic solids is presented. The model successfully captures pitting and stress corrosion cracking, as well as the pit-to-crack transition. For the first time, the role of mechanical straining as the electrochemical driving force is incorporated. The use of a phase field paradigm helps in accurately approximating complex SCC morphologies.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2021)
Article
Chemistry, Multidisciplinary
Cheng Dai, Vladimir Alexandru Stoica, Sujit Das, Zijian Hong, Lane W. Martin, Ramamoorthy Ramesh, John W. Freeland, Haidan Wen, Venkatraman Gopalan, Long-Qing Chen
Summary: This article discusses the phase transitions and domain evolutions of mesoscale topological structures in ferroic materials and investigates the behaviors of a supercrystal through experiments and simulations. The results demonstrate the potential for on-demand manipulation of the polar topology and transformations in supercrystals using electric fields.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Krzysztof Budny-Godlewski, Michal K. Leszczynski, Adam Tulewicz, Iwona Justyniak, Dawid Pinkowicz, Barbara Sieklucka, Krzysztof Kruczala, Zbigniew Sojka, Janusz Lewinski
Summary: Solution-based syntheses are commonly used in chemistry but have disadvantages, prompting the search for new mild and green synthetic methods. This study compared four different reaction media and found that solid-state approaches were stoichiometry sensitive, allowing for the selective synthesis of two adducts through simple stoichiometric control. Additionally, density functional theory calculations revealed structural and thermodynamic features of the adducts, showing unique non-redox active metal complexes supported by nitroxide radicals.
Article
Energy & Fuels
Keli Ding, Zengding Wang, Huazheng Duan, Lei Zhang, Wenhui Song, Hai Sun, Yongfei Yang, Jun Yao, Junjie Zhong
Summary: The effect of surface roughness on CO2 displacement in nanometer pores of shale was studied using direct numerical simulation. It was found that a rough surface results in shrinkage of the CO2 displacement path and slows down the overall displacement rate. The pinch-point effect in a rough nanochannel also impedes the smooth progression of the interface contact line, causing periodic velocity fluctuation that further hinders CO2 displacement.
Article
Chemistry, Physical
Lele Ren, Pengwen Guo, Mengmeng Jia, Junfeng Xiao, Dehuan Meng, Yudong Liu, Wei Wang, Di Guo, Zhong Lin Wang, Junyi Zhai
Summary: This study demonstrates the phase transformation from SrCoO2.5 to SrCoO3-delta modulated by nanoscale friction using atomic force microscopy. The phase transformation is reversible by applying a negative voltage. High-density data storage can be achieved by patterning the surface charge based on different phases at the nanoscale. This work opens a new way for regulating phase transformation and has significant implications for nano devices in high-density data storage.
Article
Chemistry, Multidisciplinary
Yuzhuo Zhang, Yanju Wang, Xiaoyu Yang, Lichen Zhao, Rui Su, Jiang Wu, Deying Luo, Shunde Li, Peng Chen, Maotao Yu, Qihuang Gong, Rui Zhu
Summary: A swift and eco-friendly synthesis route was developed for mass production of halide perovskites in the industry, leading to high-performance perovskite solar cells with superior carrier transport. Additionally, the synthesized powder exhibited superior storage stability for over 10 months, which is conducive to practical commercialization.
ADVANCED MATERIALS
(2022)
Article
Multidisciplinary Sciences
Ryota Kotani, Soichi Yokoyama, Shunpei Nobusue, Shigehiro Yamaguchi, Atsuhiro Osuka, Hiroshi Yabu, Shohei Saito
Summary: Understanding the transmission of nanoscale forces is crucial in polymer physics. Physical approaches have limitations in analyzing the local force distribution in condensed environments. This study presents a conformationally flexible dual-fluorescence force probe, enabling ratiometric analysis of the distribution of local forces in a stretched polymer chain network. Chemical control of the probe location reveals a higher local stress concentration at crosslinkers than at main chains, especially in a strain-hardening region.
NATURE COMMUNICATIONS
(2022)
Article
Materials Science, Multidisciplinary
Mahdi Javanbakht, Valery Levitas
Summary: This study investigates the athermal resistance to the motion of a phase interface caused by a precipitate. The coupled phase field and elasticity equations are solved to analyze the phase transformation process. The presence of precipitates leads to a significant difference in critical thermal driving forces between the direct and reverse phase transformations, resulting in hysteresis behavior. The critical thermal driving force increases with the precipitate concentration for both direct and reverse phase transformations, similar to the effect of solute atoms on athermal friction. Changes in the precipitate surface energy significantly affect the phase transformation morphology and critical thermal driving forces. The obtained results provide a better understanding of the athermal friction mechanism for phase interfaces at the nanoscale.
Article
Multidisciplinary Sciences
Juliette Slootman, C. Joshua Yeh, Pierre Millereau, Jean Comtet, Costantino Creton
Summary: A molecular design utilizing multiple interpenetrating networks and prestretched brittle filler network can significantly increase the fracture energy of an elastomer. Increasing the prestretch of the filler network results in a larger fracture energy, especially at high temperatures where viscoelasticity is inactive. The increase in fracture energy is mainly attributed to the dilution of highly stretched strands in the matrix, which effectively protects the material from damage and crack growth.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Physical
M. Krbal, A. Kolobov, M. Hanfland, P. Fons
Summary: Comparison between the crystallization of as-deposited and pressure-induced amorphous phases of Ge2Sb2Te5 under different pressures revealed that the pressure-induced amorphous phase crystallizes at lower temperatures than its as-deposited counterpart, and the crystallization temperature of pressure-induced amorphous Ge2Sb2Te5 increases with pressure. These results demonstrate that differences in nanoscale ordering in amorphous phases significantly influence crystallization and will guide the insightful development of phase-change devices.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Multidisciplinary
Tiannan Yang, Cheng Dai, Long-Qing Chen
Summary: We studied the thermodynamics of nanoscale polar structures in PbTiO3/SrTiO3 ferroelectric superlattices induced by above-bandgap optical excitation using a phase-field model. The light-excited carriers play a crucial role in the charge compensation and thermodynamic stabilization of the observed supercrystal. Different mechanical and electrical boundary conditions can stabilize other nanoscale polar structures by balancing short-range exchange interactions and long-range electrostatic and elastic interactions. This work provides insights into the formation and richness of nanoscale structures under light stimulation and offers theoretical guidance for manipulating their thermodynamic stability.
Article
Spectroscopy
DongFei Li, Shuo Zhang, Hongsheng Jia, Mingxing Song, Ying Zhang, Haibo Li, Mi Zhou
Summary: In this study, high pressure Raman research was conducted on lithium perchlorate crystal, and it was found that the crystal undergoes phase transformations under different pressure conditions, which has significant implications for its performance.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Materials Science, Multidisciplinary
Abash Sharma, Ebrahim Asadi, Mohamed Laradji
Summary: The present work develops a relatively simple phase field crystal model to investigate materials with nanoscale porous inclusions. The pore serves as a nucleation agent, promoting crystallization at its interface and leading to microstructural evolution of the solid in the supercooled liquid. The crystal details around the pore and the pore-material interface are explored, and the effect of multiple pores on crystallization kinetics is also studied.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2022)
Article
Thermodynamics
Mahdi Javanbakht, Hossein Rahbar, Milad Ashourian
Summary: In this paper, a nonlinear finite element approach is used to solve the time-dependent phase field or Ginzburg-Landau (GL) equation for phase transformations (PTs) at the nanoscale. The derived finite element formulation considers both the isolated and variable surface energy boundary conditions, allowing for surface-induced phenomena. Different time discretization methods are compared for computational efficiency, and both the exact and numerical approaches are used to calculate the tangential matrix for the unknown order parameter. The developed algorithm and code are verified with specific examples and proved to be effective for solving complex phase field problems at the nanoscale.
CONTINUUM MECHANICS AND THERMODYNAMICS
(2022)
Article
Thermodynamics
Hooman Danesh, Mahdi Javanbakht, Mohammad Mohammadi Aghdam
Summary: In this study, the bending behavior of nanoscale beams was investigated using the 1D nonlocal integral Timoshenko beam theory and the 2D nonlocal integral elasticity theory. Two types of nonlocal kernels were utilized, and the governing equations were solved using the finite element method and the COMSOL code. The results revealed the main differences and similarities between the two theories at the nanoscale. The findings can be applied to the modeling of beam problems with nonlocal effects at the nanoscale.
CONTINUUM MECHANICS AND THERMODYNAMICS
(2023)
Article
Thermodynamics
Hooman Danesh, Mahdi Javanbakht, Emilio Barchiesi, Nahiene Hamila
Summary: In this paper, the authors use coupled phase field and local/nonlocal integral elasticity theories to investigate stress-induced martensitic phase transformations at the nanoscale. They focus on the limitations and contradictions of nonlocal integral elasticity caused by the boundary effect. They introduce a new nonlocal kernel, called the compensated two-phase kernel, to address this issue. Numerical experiments show that the compensated two-phase kernel produces similar results to local elasticity, while other nonlocal kernels fail to overcome the problem. The study also reveals that symmetrical models are not suitable for nonlocal integral elasticity-based phase field simulations. Overall, this research is important for better understanding nonlocal elasticity-based phase field problems.
CONTINUUM MECHANICS AND THERMODYNAMICS
(2023)
Article
Materials Science, Multidisciplinary
Hooman Danesh, Mahdi Javanbakht
Summary: This study investigates the free vibration behavior of nonlocal nanobeams using different kernel theories, finding a softening effect of the nonlocal parameter on natural frequencies. The 2D-NIET theory is more sensitive to the nonlocal parameter compared to NITBT.
MATHEMATICS AND MECHANICS OF SOLIDS
(2022)
Article
Materials Science, Multidisciplinary
Hooman Danesh, Mahdi Javanbakht
Summary: In this study, the thermodynamically consistent compensated two-phase (CTP) kernel is used for modeling stress-induced martensitic transformations through nonlocal integral elasticity. The advantages of the CTP kernel over previous kernels are demonstrated by solving the coupled Ginzburg-Landau and local/nonlocal elasticity equations. The study shows that the CTP kernel does not suffer from the numerical convergence issues of previous kernels, providing a better insight into its application at the nanoscale.
MECHANICS OF ADVANCED MATERIALS AND STRUCTURES
(2022)
Article
Computer Science, Interdisciplinary Applications
Mahdi Javanbakht, Sam Mirzakhani, Mohammad Silani
Summary: This paper investigates single and two variant martensitic transformations, including twinning, using the phase field approach. The study compares the local and nonlocal models with different kernels and analyzes various phase transformation examples. The results show that the compensated TP kernel (CTP) performs better than the well-known two-phase (TP) kernel and the local model in resolving certain issues.
ENGINEERING WITH COMPUTERS
(2023)
Article
Polymer Science
Parisa Niazi, Mahdi Javanbakht, Mehdi Karevan, Mohammad Reza Tavakoli
Summary: In this study, hollow glass microspheres (HGMs) were used as fillers to enhance the thermal properties of polyester resin. Experimental and numerical results showed that the thermal conductivity coefficient decreases with increasing HGM weight fraction, while the size and distribution of HGMs have no practical effect on the conductivity coefficient. Additionally, using the constant specific heat capacity and thermal conductivity coefficient of the matrix showed better agreement with the experiment results.
Editorial Material
Thermodynamics
Francesco Dell'Isola, Valery I. Levitas, Valery P. Matveenko
CONTINUUM MECHANICS AND THERMODYNAMICS
(2023)
Article
Engineering, Multidisciplinary
Hossein Jafarzadeh, Gholam Hossein Farrahi, Valery I. Levitas, Mahdi Javanbakht
Summary: Phase field theory for fracture is developed at large strains with a correct introduction of surface stresses at nanoscale. The expression for surface stresses is consistent with the sharp surface approach and is a result of geometric nonlinearities. The study provides important connections between material parameters and presents a complete system of equations in both deformed and undeformed configurations.
INTERNATIONAL JOURNAL OF ENGINEERING SCIENCE
(2022)
Article
Nanoscience & Nanotechnology
Mahdi Javanbakht, Shekoofeh Salehi Eskandari, Mohammad Silani
Summary: In this study, the melting of long Al nanowires is investigated using a phase field model. The coupled system of equations including the Ginzburg-Landau equation for solidification/melting transformation, the kinetic equation for deviatoric transformation strain, and the elasticity equations are solved to obtain the evolution of the melt solution. The results provide insights into the premelting and melting processes of metallic nanowires under different loading conditions and structural defects.
Article
Materials Science, Multidisciplinary
Mahdi Javanbakht, Valery Levitas
Summary: This study investigates the athermal resistance to the motion of a phase interface caused by a precipitate. The coupled phase field and elasticity equations are solved to analyze the phase transformation process. The presence of precipitates leads to a significant difference in critical thermal driving forces between the direct and reverse phase transformations, resulting in hysteresis behavior. The critical thermal driving force increases with the precipitate concentration for both direct and reverse phase transformations, similar to the effect of solute atoms on athermal friction. Changes in the precipitate surface energy significantly affect the phase transformation morphology and critical thermal driving forces. The obtained results provide a better understanding of the athermal friction mechanism for phase interfaces at the nanoscale.
Article
Thermodynamics
Anup Basak, Valery I. Levitas
Summary: This paper revisits the nanoscale multiphase phase-field model for stress and temperature-induced multivariant martensitic transformation under large strains developed by the authors. It resolves the issues related to the gradient energy and coupled kinetic equations and develops a thermodynamically consistent model. The model considers N + 1 order parameters to describe austenite and N martensitic variants, taking into account the energies of the interfaces and a kinetic relationship for the rate of the order parameters. A large strain-based finite element method is used to simulate a 3D complex twins within twins microstructure, and a comparative study is presented.
CONTINUUM MECHANICS AND THERMODYNAMICS
(2023)
Article
Materials Science, Multidisciplinary
Ensiye Bakhtiyari, Mahdi Javanbakht, Mohsen Asle Zaeem
Summary: A phase-field approach is used to examine the evolution of edge dislocations in single crystals at the nanoscale. The research investigates the characteristics of an advanced phase-field approach for dislocation evolution and makes advancements to improve its accuracy. The model and numerical procedure are verified through calculations that demonstrate good agreement with existing theoretical solutions. The study also explores different methods to prevent dislocation widening and investigates the sample size effect on dislocation evolution.
MATHEMATICS AND MECHANICS OF SOLIDS
(2023)
Article
Thermodynamics
Alireza Fallahnejad, Emilio Barchiesi, Mahdi Javanbakht, Ali Akbar Sharif Nami
Summary: In this paper, the effects of nanovoid inelastic surface stress and A-M interface inelastic stress on martensitic growth at the nanovoid surface were investigated. The phase field approach was used to generate a nanovoid and capture the evolution of martensite. The results showed that the nanovoid changed the morphology and decreased the transformation rate, and both the AM interface and nanovoid inelastic surface stresses decreased the transformation rate.
CONTINUUM MECHANICS AND THERMODYNAMICS
(2023)
Article
Multidisciplinary Sciences
Valery I. Levitas, Achyut Dhar, K. K. Pandey
Summary: This study investigates the effects of stress and plastic strain tensors on various phenomena under high pressures in diamond-anvil cells. The authors suggest a coupled experimental-analytical-computational approach to measure these tensors and friction rules in the material using synchrotron X-ray diffraction. The results are in good agreement with experiments and open opportunities for quantitative high-pressure/stress science.
NATURE COMMUNICATIONS
(2023)
