Polydisperse hard spheres: crystallization kinetics in small systems and role of local structure

被引:4
|
作者
Campo, Matteo [1 ,2 ]
Speck, Thomas [2 ]
机构
[1] Grad Sch Mat Sci Mainz, Staudinger Weg 9, D-55128 Mainz, Germany
[2] Johannes Gutenberg Univ Mainz, Inst Phys, Staudingerweg 7-9, D-55128 Mainz, Germany
来源
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT | 2016年
关键词
glasses (colloidal polymer; etc); nucleation; numerical simulations; GLASS; TRANSITION; DYNAMICS; LIQUIDS; MODEL;
D O I
10.1088/1742-5468/2016/08/084007
中图分类号
O3 [力学];
学科分类号
08 ; 0801 ;
摘要
We study numerically the crystallization of a hard-sphere mixture with 8% polydispersity. Although often used as a model glass former, for small system sizes we observe crystallization in molecular dynamics simulations. This opens the possibility to study the competition between crystallization and structural relaxation of the melt, which typically is out of reach due to the disparate timescales. We quantify the dependence of relaxation and crystallization times on density and system size. For one density and system size we perform a detailed committor analysis to investigate the suitability of local structures as order parameters to describe the crystallization process. We find that local structures are strongly correlated with generic bond order and add little information to the reaction coordinate.
引用
收藏
页数:13
相关论文
共 50 条
  • [41] ANALYSIS OF THE PROCESS-STRUCTURE-BEHAVIOR INTERACTION IN BIO-SOURCED POLYMERS: ROLE OF THE CRYSTALLIZATION KINETICS
    Boutaous, Mhamed
    Refaa, Zakariaa
    Zinet, Matthieu
    Xin, Shihe
    Bourgin, Patrick
    PROCEEDINGS OF THE ASME INTERNATIONAL MECHANICAL ENGINEERING CONGRESS AND EXPOSITION, 2014, VOL 7, 2015,
  • [42] The role of local disease perception in the selection of medicinal plants: A study of the structure of local medical systems
    Soares Ferreira Junior, Washington
    da Silva, Teresinha Goncalves
    Alencar Menezes, Irwin Rose
    Albuquerque, Ulysses Paulino
    JOURNAL OF ETHNOPHARMACOLOGY, 2016, 181 : 146 - 157
  • [43] Facile synthesis of hard carbon microspheres from polyphenols for sodium-ion batteries: insight into local structure and interfacial kinetics
    Asfaw, H. D.
    Tai, C. -W.
    Valvo, M.
    Younesi, R.
    MATERIALS TODAY ENERGY, 2020, 18 (18)
  • [44] Crystallization kinetics and the role of equilibrium in carbon capture systems with gas-liquid-solid equilibrium: Case study of AMP in NMP solution
    Sanku, Meher G.
    Svensson, Helena
    FLUID PHASE EQUILIBRIA, 2020, 511
  • [45] Small-angle scattering of interacting particles. II. Generalized indirect Fourier transformation under consideration of the effective structure factor for polydisperse systems
    Weyerich, B
    Brunner-Popela, J
    Glatter, O
    JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1999, 32 : 197 - 209
  • [46] Time-dependent crystallization in magma chambers and lava lakes cooled from above: The role of convection and kinetics on nonlinear dynamics of binary systems
    Alexandrov, D. V.
    Netreba, A. V.
    Malygin, A. P.
    INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 2012, 55 (04) : 1189 - 1196
  • [47] Competitiveness of Small Farms and Innovative Food Supply Chains: The Role of Food Hubs in Creating Sustainable Regional and Local Food Systems
    Berti, Giaime
    Mulligan, Catherine
    SUSTAINABILITY, 2016, 8 (07)
  • [48] Role of Self-Assembled Surface Functionalization on Nucleation Kinetics and Oriented Crystallization of a Small-Molecule Drug: Batch and Thin-Film Growth of Aspirin as a Case Study
    Artusio, Fiora
    Fumagalli, Francesco
    Valsesia, Andrea
    Ceccone, Giacomo
    Pisano, Roberto
    ACS APPLIED MATERIALS & INTERFACES, 2021, 13 (13) : 15847 - 15856
  • [49] Gender and Its Role in the Resilience of Local Medical Systems of the Fulni-o People in NE Brazil: Effects on Structure and Functionality
    Torres-Avilez, Wendy
    Borba do Nascimento, Andre Luiz
    Santoro, Flavia Rosa
    de Medeiros, Patricia Muniz
    Albuquerque, Ulysses Paulino
    EVIDENCE-BASED COMPLEMENTARY AND ALTERNATIVE MEDICINE, 2019, 2019
  • [50] Equilibrium and kinetics studies on bibrachial lariat aza-crown/Cu(II) systems reveal different behavior associated with small changes in the structure
    Castillo, Carmen E.
    Algarra, Andres G.
    Ferrer, Armando
    Angeles Manez, M.
    Basallote, Manuel G.
    Paz Clares, M.
    Soriano, Concepcion
    Teresa Albelda, M.
    Garcia-Espana, Enrique
    INORGANICA CHIMICA ACTA, 2014, 417 : 246 - 257