Article
Physics, Multidisciplinary
Fabio Leoni, Fausto Martelli, C. Patrick Royall, John Russo
Summary: Glasses obtained from vapor deposition on a cold substrate have superior thermodynamic and kinetic stability compared to ordinary glasses due to the presence of locally favored structures (LFSs) that enhance stability near the free surface. Molecular dynamics simulations reveal that the occurrence of LFSs correlates with the stability of vapor deposited glasses, reaching a maximum at the optimal deposition temperature.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Qiang Luo, Zhengguo Zhang, Donghui Li, Peng Luo, Weihua Wang, Baolong Shen
Summary: The study explores the microscopic origin of the ultrastability of a Cu-Zr-Al metallic glass and finds that the enhanced degree of nanoscale-to-mesoscale structural/mechanical heterogeneity and the connection of stabilityfavored clusters play a crucial role. The increased fraction of stabilityfavored clusters promotes the formation of a stable percolating network, while the enhanced heterogeneity contributes to a more efficient and frustrated packing of the amorphous structure.
Article
Chemistry, Physical
Aparna Beena Unni, Robert Mroczka, Jerzy Kubacki, Karolina Adrjanowicz
Summary: This study investigates the presence of irreversibly adsorbed material in vapor deposited glasses and reveals the correlation between the variation of adsorbed material and the deviation of deposition rate and substrate temperature. The physical and chemical nature of the adsorbed material is characterized using multiple techniques.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Materials Science, Multidisciplinary
Syamal Praneeth Chilakalapudi, Shyam Katnagallu, Abhishek Sarkar, Penghui Cao, Wolfgang Wenzel, Horst Hahn
Summary: Metallic glasses prepared by cluster assembly method exhibit different atomic structures with higher local order compared to those quenched rapidly. Two distinct amorphous phases are identified in the cores of clusters and continuous network of interfaces. The results show that the short- and medium-range orders of cluster-assembled glasses can be tailored by varying the deposition energy.
Article
Multidisciplinary Sciences
Le Yang, Gabriele Vajente, Mariana Fazio, Alena Ananyeva, GariLynn Billingsley, Ashot Markosyan, Riccardo Bassiri, Kiran Prasai, Martin M. Fejer, Martin Chicoine, Francois Schiettekatte, Carmen S. Menoni
Summary: Glasses are non-equilibrium solids with properties highly dependent on their preparation methods. Vapor deposition at elevated temperatures can modify the atomic arrangement of strong network-forming GeO2 glass at medium range, increasing the population of six-membered GeO4 rings and reducing room temperature internal friction. This enhanced medium-range organization is important for designing interference coatings in gravitational wave interferometers.
Article
Chemistry, Physical
Junjie Yin, Christian Pedersen, Michael F. Thees, Andreas Carlson, Thomas Salez, James A. Forrest
Summary: We studied the liquid-like response of vapor-deposited glassy films of polystyrene with gold nanoparticles on the surface. The buildup of polymer material was measured over time and temperature for both as-deposited and rejuvenated films. The surface evolution of the films followed the characteristic power law of capillary-driven surface flows and showed enhanced behavior compared to bulk. The measured relaxation times and particle embedding provided insights into surface mobility and bulk dynamics.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Y. Tang, H. F. Zhou, X. D. Wang, Q. P. Cao, D. X. Zhang, J. Z. Jiang
Summary: The study investigated the effects of thermal cycling on structure and properties in metallic glasses, highlighting contrasting behaviors exhibited by Fe80P20 and Ni60Nb40 metallic glasses during thermal cycling treatment, which are not completely understood at the molecular level.
MATERIALS TODAY PHYSICS
(2021)
Article
Chemistry, Physical
Stephen Whitelam, Peter Harrowell
Summary: This study introduces a minimal model of anisotropic molecules that exhibit surface orientational order without bulk orientational order. By using evolutionary methods to design oscillatory protocols, the research demonstrates the potential for creating nonequilibrium structures with uniform order in this class of materials.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
X. Yuan, D. Sopu, J. Eckert
Summary: The local stress state in metallic glasses can be modulated without affecting their structure, leading to enhanced ductility and strain hardening during loading. The stress heterogeneity in metallic glasses results in shear band multiplication, ultimately enhancing their macroscopic ductility. Additionally, residual compressive stress significantly increases the strength of the glass and contributes to observed strain hardening.
Article
Materials Science, Multidisciplinary
Zhen Zhang, Simona Ispas, Walter Kob
Summary: In this study, atomistic computer simulations are used to establish a connection between the stress-strain relation and microscopic properties of silicate glasses. The mobility of modifiers is identified as the mechanism responsible for the complex dependence of stress on strain.
Article
Chemistry, Physical
Sarah E. Wolf, Sage Fulco, Aixi Zhang, Haoqiang Zhao, Patrick J. Walsh, Kevin T. Turner, Zahra Fakhraai
Summary: The density, molecular orientation, and molecular layering of vapor-deposited stable glasses are affected by substrate temperature. Nano-indentation experiments show that the elastic modulus and hardness of the glasses are influenced by these properties.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Lizhu Li, Amey R. Khanolkar, Julien Ari, Pierre Deymier, Pierre Lucas
Summary: The elastic properties of Ge-Se glasses decrease with increasing irradiation intensity, particularly in glasses with high coordination numbers. The kinetics observed during irradiation suggest a thermal origin rather than a photoinduced electronic process. Experimental evidence indicates that the observed photoelastic phenomena are more likely the result of laser heating.
Article
Multidisciplinary Sciences
Yi Jin, Aixi Zhang, Sarah E. Wolf, Shivajee Govind, Alex R. Moore, Mikhail Zhernenkov, Guillaume Freychet, Ahmad Arabi Shamsabadi, Zahra Fakhraai
Summary: The study reveals that under certain conditions, the density of thin vapor-deposited films of N,N'-bis(3-methylphenyl)-N,N'-diphenylbenzidine (TPD) can exceed their corresponding SCL density by as much as 3.5%, and can even exceed the crystal density. This high-density supercooled liquid (HD-SCL) phase is only favored in thin films and can rapidly transform back to the ordinary SCL state when film thickness exceeds 60 nm during vapor deposition.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2021)
Article
Chemistry, Multidisciplinary
Robert N. Enright, Laura C. Bradley
Summary: Materials with complex curvature and micro-structured surface topography can replicate surfaces observed in nature. The self-wrinkling process allows polymer films to grow on 3D substrates, mimicking natural processes more closely. The amount of compressive stress can be controlled by changing deposition conditions. The wrinkle roundness increases with interface curvature on liquid substrates. The choice of wrinkle pattern can be directed by stress concentration or substrate curvature. The lowest energy ridge wrinkle state on the inside of a torus is oriented around the major axis. Controlling the substrate shape allows for the generation of materials with contrived surface topography.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Di Xu, Xin Liu, Ji Wang, Qian-Qian Liu, Rong Fu, He Lin, Ling Chen, Li-Min Wang, Li-Ming Wu
Summary: In this study, two novel AZnP(3)O(9) glasses were obtained by melting single crystals with identical compositions. It was found that these glasses exhibit structural inheritance within a range of 5 angstroms from their single crystal counterparts, revealing the atomic structural origin of the fictive temperature for the first time.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Marco Benedetti, Enrico Ventura, Enzo Marinari, Giancarlo Ruocco, Francesco Zamponi
Summary: This study compares the Hebbian unlearning algorithm with a symmetric perceptron algorithm and finds that they have similar properties in terms of basin size and convergence region. The study also proposes a geometric interpretation of Hebbian unlearning and explores its potential applications in memory storage in materials.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Biochemistry & Molecular Biology
Matteo Bisardi, Juan Rodriguez-Rivas, Francesco Zamponi, Martin Weigt
Summary: The study proposes stochastic models of experimental protein evolution based on reconstructed data-driven fitness landscapes, predicting important features of experimentally evolved sequence libraries. It showcases the potential of the approach in determining protein structure from epistasis signals in experimental sequence libraries, offering a quantitative explanation for outcomes of recent experiments and enabling forecasts for future evolution experiments.
MOLECULAR BIOLOGY AND EVOLUTION
(2022)
Article
Chemistry, Physical
Patrick Charbonneau, Yi Hu, Joyjit Kundu, Peter K. Morse
Summary: The formulation of mean-field infinite-dimensional solution of hard sphere glasses is a significant advancement in theoretical physics. However, its relevance in understanding low-dimensional glass-forming liquids is still unclear. By revisiting simulation techniques and leveraging standard liquid-state theory, the study of hard sphere liquids up to d = 13 has become possible, helping to bridge the gap between different approaches.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Correction
Chemistry, Physical
Patrick Charbonneau, Yi Hu, Joyjit Kundu, Peter K. Morse
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Physics, Multidisciplinary
Giulio Biroli, Patrick Charbonneau, Giampaolo Folena, Yi Hu, Francesco Zamponi
Summary: This study reveals that the local dynamical fluctuations of particles in glass-forming models display divergent behavior around the glass transition due to nontrivial correlations between displacements along different directions. This phenomenon leads to the emergence of a divergent non-Gaussian parameter and provides a first-principle explanation for its growth around the glass transition without relying on multiparticle correlations.
PHYSICAL REVIEW LETTERS
(2022)
Correction
Multidisciplinary Sciences
Jeanne Trinquier, Guido Uguzzoni, Andrea Pagnani, Francesco Zamponi, Martin Weigt
NATURE COMMUNICATIONS
(2022)
Article
Physics, Multidisciplinary
Alessandro Manacorda, Francesco Zamponi
Summary: This article analyzes the gradient descent dynamics in complex energy landscapes, focusing on the case of soft repulsive particles in infinite spatial dimension. The study shows that the dynamics undergoes a jamming transition, characterized by the elimination of particle overlaps at low density and the persistence of overlaps at high density. Self-consistent dynamical equations are derived via mean field theory, and some progress towards their solutions is presented. The article also examines the jamming transition in the random Lorentz gas and discusses its analogy with the capacity transition in supervised learning.
JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL
(2022)
Article
Chemistry, Physical
Felix C. C. Mocanu, Ludovic Berthier, Simone Ciarella, Dmytro Khomenko, David R. R. Reichman, Camille Scalliet, Francesco Zamponi
Summary: The low-temperature behavior of amorphous solids is influenced by localized tunneling defects in the potential energy landscape. Computational models are used to study these defects and recent simulation work has generated stable glassy configurations for metallic glass models using the swap Monte Carlo algorithm. In this study, the glassy metabasins of a widely used model of metallic glasses are explored, and the depletion of tunneling defects with increased glass stability is observed.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Physics, Multidisciplinary
Saverio Rossi, Giulio Biroli, Misaki Ozawa, Gilles Tarjus, Francesco Zamponi
Summary: This study provides numerical evidence for the existence of a finite-disorder critical point that separates brittle and ductile yielding. The critical exponents in 2D and 3D are estimated.
PHYSICAL REVIEW LETTERS
(2022)
Article
Multidisciplinary Sciences
Misaki Ozawa, Yasutaka Iwashita, Walter Kob, Francesco Zamponi
Summary: A recent breakthrough in glass science involves the synthesis of ultrastable glasses using physical vapor deposition techniques. These glasses exhibit increased stability in terms of thermodynamics, kinetics, and mechanics, with significant implications for both fundamental research and practical applications. However, the current deposition technique is limited to specific types of glass-formers and can only produce thin film samples. In this study, a novel approach using random particle bonding is proposed to generate ultrastable glassy configurations in bulk materials. Computer simulations show the effectiveness of this method, which can be applied to various molecular and soft matter systems, offering great potential for the design of a wide range of ultrastable glasses.
NATURE COMMUNICATIONS
(2023)
Article
Computer Science, Artificial Intelligence
Simone Ciarella, Jeanne Trinquier, Martin Weigt, Francesco Zamponi
Summary: Several strategies using machine learning tools have been proposed to improve Monte Carlo sampling efficiency, but they are challenged by a class of problems that are exponentially hard to sample at low temperatures using conventional local Monte Carlo. We specifically studied the antiferromagnetic Potts model on a random graph, which reduces to the coloring of random graphs at zero temperature. We tested several machine-learning-assisted Monte Carlo approaches and found that they all failed. Our work provides important benchmarks for future proposals of smart sampling algorithms.
MACHINE LEARNING-SCIENCE AND TECHNOLOGY
(2023)
Article
Physics, Fluids & Plasmas
Giampaolo Folena, Giulio Biroli, Patrick Charbonneau, Yi Hu, Francesco Zamponi
Summary: This study investigates mean-field models of glasses using the replica method, revealing the fluctuation characteristics under thermodynamic limits. It analyzes the heterogeneous fluctuations between different states and achieves good quantitative agreement through numerical simulations.
Article
Chemistry, Physical
Marco Benedetti, Enrico Ventura, Enzo Marinari, Giancarlo Ruocco, Francesco Zamponi
Summary: This study compared the Hebbian unlearning algorithm with a supervised algorithm in neural networks, finding similarities in stability of stored memories and learning paths. The proposed geometric interpretation explained the optimal performance of the Hebbian unlearning algorithm.
JOURNAL OF CHEMICAL PHYSICS
(2022)