Article
Chemistry, Physical
Hiroshi Frusawa
Summary: This study focuses on the structure characteristics and degradation mechanism of densely packed spheres, obtaining a metastable DCF through the field-theoretic formulation of stochastic density functional theory and strong-coupling expansion method. The metastable DCF provides the emergence of soft modes at the particle scale, in quantitative agreement with simulation results.
Article
Multidisciplinary Sciences
Yao Yang, Jihan Zhou, Fan Zhu, Yakun Yuan, Dillan J. Chang, Dennis S. Kim, Minh Pham, Arjun Rana, Xuezeng Tian, Yonggang Yao, Stanley J. Osher, Andreas K. Schmid, Liangbing Hu, Peter Ercius, Jianwei Miao
Summary: This study developed an atomic electron tomography reconstruction method to experimentally determine the 3D atomic positions of an amorphous solid, successfully characterizing the short- and medium-range order of the 3D atomic arrangement. The research identified four types of crystal-like medium-range order and provided direct experimental evidence to support the efficient cluster packing model for metallic glasses.
Review
Chemistry, Physical
Giulio Biroli, Jean-Philippe Bouchaud, Francois Ladieu
Summary: The anomalous growth of the peak value of nonlinear susceptibilities is a signature of growing amorphous order in glassy systems, with spin-glasses as an example. Experimental results on supercooled liquids support the prediction of compact glassites increasing in volume with decreasing temperature or as the system ages, as explained within the random first-order transition (RFOT). The difficulty in explaining this behavior within purely kinetic theories of glass formation is clarified, despite recent claims to the contrary.
JOURNAL OF PHYSICAL CHEMISTRY B
(2021)
Article
Chemistry, Physical
Tianpei Ge, Zhaobo Wei, Xiaoli Zheng, Qun Xu
Summary: This study reports the facile bottom-up synthesis of 2D amorphous MoO3-x nanosheets using supercritical CO2 as a surface confining agent, with morphology tailored by adjusting pressure and enhanced surface plasma resonance exhibited. The prepared nanosheets show outstanding photothermal conversion performance, providing insights into the amorphization mechanism of 2D materials.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Joana F. C. Silva, Pedro S. Pereira Silva, Manuela Ramos Silva, Elvira Fantechi, Laura Chelazzi, Samuele Ciattini, M. Ermelinda S. Eusebio, Mario T. S. Rosado
Summary: Different methods were used to amorphize ranolazine, a poorly soluble drug, including mechanochemistry, quench-cooling, and solvent evaporation. Cryo-milling and quench-cooling produced amorphous phases with T(g) values lower than room temperature. New forms of ranolazine, named II and III, were discovered from the relaxation of the amorphous phase produced by cryo-milling. Polymorph I, the most stable crystal form, was solved for the first time. A binary co-amorphous mixture of ranolazine and tryptophan was created, which showed higher glass transition temperature, improved kinetic stability, and increased aqueous solubility. The thermal behavior of amorphous tryptophan obtained by cryo-milling was also studied.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
Xinyu Fan, Cai-Zhuang Wang, Kai-Ming Ho, M. S. Altman, Li Huang
Summary: In this study, using molecular dynamics simulations, the authors calculated the vibrational density of states and defined a softness parameter to investigate the behavior of soft particles in amorphous solids. They found that the softest particles are confined within rigid cages and form locally disordered structures, while the hard particles exhibit strong ordering.
Article
Physics, Multidisciplinary
Dor Shohat, Yaniv Friedman, Yoav Lahini
Summary: This study reveals the structural mechanism of logarithmic aging in disordered mechanical systems and emphasizes the importance of understanding the dynamic slow-down process.
Article
Physics, Multidisciplinary
I. Gershenzon, B. Lacroix-A-Chez-Toine, O. Raz, E. Subag, O. Zeitouni
Summary: We investigate the effect of introducing a weak nonlinear on-site potential on the average number of critical points N over bar in a many-body system with disordered two-body interactions. We find that this dramatically increases N over bar exponentially with system size and provides a comprehensive understanding of the organization of critical points. Our findings extend solvable spin-glass models to more realistic models and have implications for glassy systems, nonlinear oscillator networks, and many-body interacting systems.
PHYSICAL REVIEW LETTERS
(2023)
Article
Multidisciplinary Sciences
Kiumars Aryana, Derek A. Stewart, John T. Gaskins, Joyeeta Nag, John C. Read, David H. Olson, Michael K. Grobis, Patrick E. Hopkins
Summary: By systematically tailoring the cross-linking network among the atoms, the authors successfully suppressed the thermal transport in amorphous chalcogenide alloy SiTe, reducing the thermal conductivity by nearly an order of magnitude. The experimental results demonstrate that the ultralow thermal conductivity is attributed to the suppressed contribution of extended modes of vibration, particularly propagons and diffusons. This mechanism could potentially lead to significant advancements in thermal management for data storage and energy scavenging applications.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Hao Wu, Xin Yao, Yue Gui, Hongxun Hao, Lian Yu
Summary: Crystal nucleation rates have been measured in the bulk and at the surface of acetaminophen melt. Form III nucleation occurs in the temperature range of 290-333 K, with the fastest nucleation rate observed at 318 K. Surface nucleation is significantly faster than bulk nucleation, highlighting the importance of the liquid/vapor interface.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Multidisciplinary Sciences
Pragya Shukla
Summary: This study provides a theoretical explanation for the qualitative universality of the ultrasonic attenuation coefficient at low temperatures by modeling and experimental observations of intermolecular interactions in amorphous systems.
SCIENTIFIC REPORTS
(2022)
Article
Physics, Multidisciplinary
Manuel Moratalla, Marta Rodriguez-Lopez, Cristian Rodriguez-Tinoco, Javier Rodriguez-Viejo, Rafael J. Jimenez-Rioboo, Miguel A. Ramos
Summary: Recent findings of structural glasses with extremely high stability have raised questions about the persistence of low-temperature glassy anomalies. By studying a specific type of ultrastable glass, it is shown that the suppression of two-level systems in glasses depends on the degree of stability, not on anisotropy.
COMMUNICATIONS PHYSICS
(2023)
Article
Multidisciplinary Sciences
Erin G. Teich, K. Lawrence Galloway, Paulo E. Arratia, Danielle S. Bassett
Summary: The study focuses on the nature of yield in amorphous materials under stress, investigating the evolution of local structural homogeneity on an individual particle level and its relation to rearrangement, memory, and macroscale rheological measurements. The research defines a structural metric called crystalline shielding which predicts rearrangement propensity and structural volatility of individual particles under shear, identifying localized regions where the material's memory of its preparation is preserved. This contributes to understanding how local structure relates to dynamic response and memory in disordered systems.
Article
Chemistry, Physical
Palak Patel, Mohit Sharma, Sarika Maitra Bhattacharyya
Summary: In polydisperse systems, the correlation between the structural order parameter (SOP) and dynamics depends on the number of species used to describe the system. The SOP at M = 1 shows the highest correlation with dynamics in highly polydisperse systems. The study also suggests that the Vibrality, an order parameter independent of structural information, can be a slightly better predictor of dynamics at high polydispersity due to its strong coupling with particle size.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Thermodynamics
G. P. Johari, Elpidio Tombari
Summary: The overshoot peak observed in the heat capacity, C-p, during the heating of glass is caused by the inadvertent inclusion of part of the C-p on the high temperature side of the peak into the entropy estimate of the liquid state. This affects the decrease of the liquid entropy with temperature and the downward curvature of the entropy-temperature plot. By using the heat capacity of the liquid during cooling and directly determining the ratio (C-p,C-liq /T), this artifact can be avoided. Experimental data on polymers and an orientationally-disordered crystal are analyzed and compared to previous studies.
THERMOCHIMICA ACTA
(2022)
Letter
Rheumatology
Martin Sebastian Winkler, Peter Korsten, Claudia Binder, Bjoern Tampe
ANNALS OF THE RHEUMATIC DISEASES
(2023)
Article
Materials Science, Multidisciplinary
Lun-Wei Liang, Shi-Cheng Dai, Yan Chen, Hai-Ying Wang, Yun-Jiang Wang, Lan-Hong Dai
Summary: Through extensive molecular dynamics simulations, an abnormal strain-rate-induced brittle-ductile-delamination transition in pearlitic steel with unique structure is revealed. The transition is mediated by nanoscale cavitation, dislocation nucleation, and collective delamination at different strain rates. This phenomenon challenges the conventional knowledge of material deformation and failure, and may have implications for the use of ultrastrong pearlitic steels in extreme environments.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Engineering, Multidisciplinary
LangTing Zhang, YaJuan Duan, YunJiang Wang, Yong Yang, JiChao Qiao
Summary: In this paper, it is demonstrated that cooling a BMG from the supercooled liquid region at laboratory rates can reverse the relaxation enthalpy lost during the preceding structural relaxation. Increasing the cooling rate enhances atomic mobility and dynamic mechanical relaxation intensity. This rejuvenation methodology facilitates tailoring the mechanical properties of BMGs and provides a comprehensive understanding of the rejuvenation mechanism.
SCIENCE CHINA-TECHNOLOGICAL SCIENCES
(2023)
Article
Materials Science, Multidisciplinary
J. Duan, Y. J. Wang, L. H. Dai, M. Q. Jiang
Summary: By conducting atomistic simulations on Cu50Zr50 metallic glasses, this study reveals that the plastic events before yield are correlated and mediated by robust elasticity. The temporal correlation analysis of the nonaffine displacement fields further demonstrates the short-lived strong but long-standing weak nature of elastic interactions. These findings provide fundamental insights into the atomic-scale nature of both elastic deformation and plastic instabilities, contributing to the development of elastoplastic constitutive models.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Zhen-Ya Zhou, Yang Sun, Liang Gao, Yun-Jiang Wang, Hai-Bin Yu
Summary: In this study, molecular dynamics simulations and metadynamics are used to investigate the atomic rearrangement mechanism in glass materials. It is shown that there is a correlation between string-like cooperative motions and plastic deformation in amorphous materials.
Article
Engineering, Mechanical
F. Zhu, G. H. Xing, G. J. Lyu, L. T. Zhang, Yun-Jiang Wang, Y. Yang, J. M. Pelletier, J. C. Qiao
Summary: Dynamic mechanical relaxation is an important metric for studying viscoelastic amorphous solids. The relaxation behavior of amorphous solids, due to their heterogeneous microstructure, often deviates from the Debye relaxation. The distribution of relaxation time based on the stretched exponential function or power law is commonly used to describe non-Debye relaxation, but its applicability to real amorphous materials is still under discussion.
INTERNATIONAL JOURNAL OF PLASTICITY
(2023)
Article
Chemistry, Physical
Shenggui Liu, Mindong Lyu, Cheng Yang, Minqiang Jiang, Chao Wang
Summary: The viscoelastic properties of three-dimensional graphene foams (GrFs) are investigated using a combination of dynamic mechanical analysis (DMA) and coarse-grained molecular dynamics (CGMD) simulations. The effects of factors such as GrFs density, temperature, loading frequency, oscillatory amplitude, and pre-strain on the storage and loss modulus are studied. The results show that both the storage and loss modulus are independent of temperature and frequency, and the storage modulus can be slightly weakened by increasing the loading amplitude. Furthermore, the viscoelastic properties of GrFs can be effectively tuned by the tensile/compressive pre-strain and density.
Article
Materials Science, Multidisciplinary
Xiao-Shi Wang, Yun-Jiang Wang
Summary: We provide a thermodynamic perspective on the disorder-order transition in high entropy materials based on absolute free energy calculations. We propose new physical quantities to signify this transition and discuss their interrelationships. The analysis recognizes the critical role of the anharmonic effect in driving the transition and helps us understand the formation mechanism of locally ordered structures.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Pedro A. Santos-Florez, Shi-Cheng Dai, Yi Yao, Howard Yanxon, Lin Li, Yun-Jiang Wang, Qiang Zhu, Xiao-Xiang Yu
Summary: We use a machine-learning force field and neural network to investigate the influence of chemical short-range order on the strengthening mechanism of the MoNbTaW alloy. The findings reveal the formation of locally ordered B2 clusters due to a significant attraction between Mo-Ta pairs. The presence of short-range order increases high-frequency phonon modes and introduces additional lattice friction to dislocation motion.
Article
Engineering, Mechanical
Yunjian Bai, Yadong Li, Yun-jiang Wang, Kun Zhang, Quanyu Jiang, Zishang Liu, Zheng Hu, Bingchen Wei
Summary: Laminated structures with novel wavy-shaped interfaces can significantly enhance the performance of high-entropy alloys (HEAs) while maintaining excellent ductility. The extra strengthening resulting from local chemical variation near the interfaces is the main reason for this enhancement. The Mortise-Tenon architecture not only provides additional interface strengthening but also preserves the work hardening ability in the early stage of deformation.
INTERNATIONAL JOURNAL OF PLASTICITY
(2023)
Article
Materials Science, Ceramics
Y. Gao, G. Ding, C. Yang, B. B. Zhang, C. J. Shi, L. H. Dai, M. Q. Jiang
Summary: Stress overshoot is a sign of structural rejuvenation in metallic glasses, but a heavily-aged Zr-based metallic glass can rejuvenate without showing any stress overshoot. The rejuvenation is contributed by complex structural rearrangements over short- and medium-range order scales. The mechanical stability and structural disorder do not decrease synchronously.
JOURNAL OF NON-CRYSTALLINE SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Xiao-Shi Wang, Yun-Jiang Wang
Summary: It is commonly accepted that plasticity in crystalline solids is accompanied by the collapse of the softest vibrational mode. However, recent developments in multi-principal element alloys have complicated this scenario with the introduction of essential local chemical inhomogeneity. Computational metrics were developed to study the phonon features and instability pathway in a ternary CoCrNi alloy. The presence of chemical short-range order (CSRO) increases anharmonicity in the alloy and enhances elastic stability. Phonon instability occurs through the annihilation of the softest mode, as well as the simultaneous softening of several low-frequency modes, leading to the onset of plasticity.
Article
Physics, Multidisciplinary
Jia-Le Tao, Zeng-Yu Yang, Yun-Jiang Wang
Summary: In this paper, an interpretable machine-learning strategy is used to quantify the intensity of the boson peak in amorphous solids. The study utilizes a dataset of over 1600 glass samples prepared with different cooling rates. The obtained knowledge provides insight into the rationalization of the boson peak in terms of pure structural information in amorphous solids.
PHYSICAL REVIEW RESEARCH
(2023)
Article
Chemistry, Physical
S. Y. Liang, L. T. Zhang, B. Wang, Y. J. Wang, E. Pineda, J. C. Qiao
Summary: This study focuses on the influence of the thermomechanical protocol on the aging or rejuvenation of glass by decoupling the thermal and mechanical processes. The results show that Labased metallic glass exhibits material hypomnesia, with a clearer rejuvenation trend observed after imposing increasing amplitude strain oscillations. There is a threshold value of the oscillation amplitude that separates the effects of the protocol into acceleration of aging or rejuvenation. This study reveals the correlation between the thermomechanical properties of metallic glass and the previous application of strain oscillations of various amplitudes, providing an effective tool for regulating the structural state of metallic glasses through a simple-operated method.
Article
Materials Science, Multidisciplinary
Qi Hao, Eloi Pineda, Yun-Jiang Wang, Yong Yang, Ji-Chao Qiao
Summary: The stress relaxation dynamics of La60Ni15Al25 metallic glass in ribbon and bulk samples were studied. It was observed that the stress decay of deep glass is mediated by beta relaxation, which contributes about 5% to the total stress. The characteristic time of stress relaxation near the glass transition coincides with that of alpha relaxation, suggesting a direct relationship between the two relaxation processes. A possible atomic mechanism involving both relaxation and deformation is proposed based on the evolution of shear transition zone. The findings provide a strategy to detect beta relaxation associated phenomena and clarify the roles of relaxation modes in the nonelastic deformation of amorphous matters.