scholarly journals Configuration correlation governs slow dynamics of supercooled metallic liquids

2018 ◽  
Vol 115 (25) ◽  
pp. 6375-6380 ◽  
Author(s):  
Yuan-Chao Hu ◽  
Yan-Wei Li ◽  
Yong Yang ◽  
Peng-Fei Guan ◽  
Hai-Yang Bai ◽  
...  
Keyword(s):  
Glass Transition ◽  
Slow Dynamics ◽  
Theoretical Understanding ◽  
Correlation Lengths ◽  
Dynamic Correlation ◽  
Slowing Down ◽  
Metallic Liquids ◽  
Intrinsic Correlation ◽  
Scaling Analyses ◽  
Dynamics Simulations

The origin of dramatic slowing down of dynamics in metallic glass-forming liquids toward their glass transition temperatures is a fundamental but unresolved issue. Through extensive molecular dynamics simulations, here we show that, contrary to the previous beliefs, it is not local geometrical orderings extracted from instantaneous configurations but the intrinsic correlation between configurations that captures the structural origin governing slow dynamics. More significantly, it is demonstrated by scaling analyses that it is the correlation length extracted from configuration correlation rather than dynamic correlation lengths that is the key to determine the drastic slowdown of supercooled metallic liquids. The key role of the configuration correlation established here sheds important light on the structural origin of the mysterious glass transition and provides an essential piece of the puzzle for the development of a universal theoretical understanding of glass transition in glasses.

scholarly journals Non-Markovian Methods in Glass Transition

Polymers ◽  
2020 ◽  
Vol 12 (9) ◽  
pp. 1997
Author(s):  
Constantino Torregrosa Cabanilles ◽  
José Molina-Mateo ◽  
Roser Sabater i Serra ◽  
José María Meseguer-Dueñas ◽  
José Luis Gómez Ribelles
Keyword(s):  
Glass Transition ◽  
Complex Dynamics ◽  
Open Cluster ◽  
Relaxation Times ◽  
Dynamic Heterogeneity ◽  
Slowing Down ◽  
Markovian Dynamics ◽  
Glass Forming Materials ◽  
Dynamics Simulations ◽  
The Relationship

A model for the heterogeneity of local dynamics in polymer and other glass-forming materials is provided here. The fundamental characteristics of the glass transition phenomenology emerge when simulating a condensed matter open cluster that has a strong interaction with its heterogeneous environment. General glass transition features, such as non-exponential structural relaxations, the slowing down of relaxation times with temperature and specific off-equilibrium glassy dynamics can be reproduced by non-Markovian dynamics simulations with the minimum computer resources. Non-Markovian models are shown to be useful tools for obtaining insights into the complex dynamics involved in the glass transition phenomenon, including whether or not there is a need for a growing correlation length or the relationship between the non-exponentiality of structural relaxations and dynamic heterogeneity.

scholarly journals Translational and rotational critical-like behaviors in the glass transition of colloidal ellipsoid monolayers

2021 ◽  
Vol 7 (3) ◽  
pp. eabd1958
Author(s):  
Zhongyu Zheng ◽  
Ran Ni ◽  
Yuren Wang ◽  
Yilong Han
Keyword(s):  
Glass Transition ◽  
Degrees Of Freedom ◽  
Glass Transition Point ◽  
Nonspherical Particles ◽  
Correlation Lengths ◽  
Dynamic Correlation ◽  
Glassy Systems ◽  
Different Temperatures ◽  
Rotational Degrees Of Freedom ◽  
Polycrystalline Structures

Critical-like behaviors have been found in translational degrees of freedom near the glass transition of spherical particle systems mainly with local polycrystalline structures, but it is not clear if criticality exists in more general glassy systems composed of nonspherical particles without crystalline structures. Here, through experiments and simulations, we show critical-like behaviors in both translational and rotational degrees of freedom in monolayers of monodisperse colloidal ellipsoids in the absence of crystalline orders. We find rich features of the Ising-like criticality in structure and slow dynamics at the ideal glass transition point ϕ0, showing the thermodynamic nature of glass transition at ϕ0. A dynamic criticality is found at the mode-coupling critical point ϕc for the fast-moving clusters whose critical exponents increase linearly with fragility, reflecting a dynamic glass transition. These results cast light on the glass transition and explain the mystery that the dynamic correlation lengths diverge at two different temperatures.

Slow Dynamics Due to the Metal-Nonmetal Transition in Liquids

2003 ◽  
Vol 217 (7) ◽  
pp. 803-816 ◽  
Author(s):  
Makoto Yao ◽  
Hirotaka Kohno ◽  
Hiroaki Kajikawa
Keyword(s):  
Relaxation Time ◽  
Glass Transition ◽  
Liquid Glass ◽  
Sound Attenuation ◽  
Slow Dynamics ◽  
Anomalous Increase ◽  
Relaxation Strength ◽  
Transition Range ◽  
Liquid Dynamics ◽  
Nonmetal Transition

AbstractIt is well known that the liquid dynamics slows down on approaching the liquid-gas critical point or the liquid-glass transition. Recently we have found by the sound attenuation measurements that the metal-nonmetal (M-NM) transition also induces slow dynamics. In the M-NM transition range of expanded liquid Hg, we have observed anomalous increase in the sound attenuation due to the structural relaxation process. Assuming a simple Debye-type relaxation, we have estimated that the relaxation time should be of the order of nanoseconds and revealed that the relaxation strength has a broad maximum in the M-NM transition range. Moreover, two types of anomalies have been observed also in the semiconductor-metal (S-M) transition range of liquid Te-Se mixtures. We present the recent experimental results of the sound attenuation measurements and discuss briefly the mechanisms of the slow dynamics in the metal-nonmetal transition range of liquids.

Spin clusters and low-energy excitations in rare earth kagome systems

2017 ◽  
Vol 31 (01) ◽  
pp. 1630010
Author(s):  
M. J. R. Hoch
Keyword(s):  
Rare Earth ◽  
Muon Spin ◽  
Correlation Lengths ◽  
Dynamic Correlation ◽  
The Past ◽  
Spin Resonance ◽  
Muon Spin Resonance ◽  
Spin Clusters ◽  
Dependent Correlation ◽  
Model Approach

The rare earth kagome systems R3Ga5SiO[Formula: see text] (R = Nd or Pr), which are weakly frustrated antiferromagnets, do not exhibit long-range order at temperatures down to 40 mK as revealed by neutron scattering. The neutron experiments provide evidence for the emergence at low temperatures of correlated spins in nanoscale cluster regions with magnetic field-dependent correlation lengths. A variety of techniques have been used to determine the magnetic and thermal properties of these systems. In particular, high-field electron spin resonance (ESR), nuclear magnetic resonance (NMR) and muon spin resonance ([Formula: see text]SR) experiments have established that dynamic correlation of spins remains significant at temperatures well above 1 K. ESR provides evidence for spin wave excitations in spin clusters and the spectra have been interpreted using a Heisenberg model approach. While Nd[Formula: see text] (J = 9/2) is a Kramers ion Pr[Formula: see text] (J = 4) is not. This difference leads to contrasts in the magnetic properties of the two systems. This review surveys the information that has been obtained on the properties of these kagome materials over the past decade.

Crystal to Glass Transition and Melting in Two Dimensions

1993 ◽  
Vol 321 ◽  
Author(s):  
M. Li ◽  
W. L. Johnson ◽  
W. A. Goddard
Keyword(s):  
Glass Transition ◽  
Intermediate Phase ◽  
Orientational Order ◽  
Finite Size ◽  
Two Dimensions ◽  
Size Difference ◽  
Two Dimensional ◽  
Atomic Size ◽  
Bond Orientational Order ◽  
Dynamics Simulations

ABSTRACTThermodynamic properties, structures, defects and their configurations of a two-dimensional Lennard-Jones (LJ) system are investigated close to crystal to glass transition (CGT) via molecular dynamics simulations. The CGT is achieved by saturating the LJ binary arrays below glass transition temperature with one type of the atoms which has different atomic size from that of the host atoms. It was found that for a given atomic size difference larger than a critical value, the CGT proceeds with increasing solute concentrations in three stages, each of which is characterized by distinct behaviors of translational and bond-orientational order correlation functions. An intermediate phase which has a quasi-long range orientational order but short range translational order has been found to exist prior to the formation of the amorphous phase. The destabilization of crystallinity is observed to be directly related to defects. We examine these results in the context of two dimensional (2D) melting theory. Finite size effects on these results, in particular on the intermediate phase formation, are discussed.

Strong Liquid Behavior of Zr-Ti-Cu-Ni-Be Bulk Metallic Glass Forming Alloys

1996 ◽  
Vol 455 ◽  
Author(s):  
Ralf Busch ◽  
Andreas Masuhr ◽  
Eric Bakke ◽  
William L. Johnson
Keyword(s):  
Glass Transition ◽  
Melting Point ◽  
Metallic Glass ◽  
Bulk Metallic Glass ◽  
Supercooled Liquid ◽  
Glass Transition Region ◽  
Glass Forming ◽  
Liquid Behavior ◽  
Metallic Liquids ◽  
Microscopic Origin

ABSTRACTThe viscosities of the Zr46.75Ti8.25Cu7.5Ni10Be27.5 and the Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass forming liquids was determined from the melting point down to the glass transition in the entire temperature range of the supercooled liquid. The temperature dependence of the viscosity in the supercooled liquid obeys the Vogel-Fulcher-Tammann (VFT) relation. The fragility index D is about 20 for both alloys and the ratio between glass transition temperature and VFT temperature is found to be 1.5. A comparison with other glass forming systems shows that these bulk metallic glass formers are strong liquids comparable to sodium silicate glass. Furthermore, they are the strongest among metallic glass forming liquids. This behavior is a main contributing factor to the glass forming ability since it implicates a higher viscosity from the melting point down to the glass transition compared to other metallic liquids. Thus, the kinetics in the supercooled liquid is sluggish and yields a low critical cooling rate for glass formation. The relaxation behavior in the glass transition region of the alloys is consistent with their strong glassy nature as reflected by a stretching exponent that is close to 0.8. The microscopic origin of the strong liquid behavior of bulk metallic glass formers is discussed.

scholarly journals Prediction of Second Melting Temperatures Already Observed in Pure Elements by Molecular Dynamics Simulations

Materials ◽  
2021 ◽  
Vol 14 (21) ◽  
pp. 6509
Author(s):  
Robert F. Tournier ◽  
Michael I. Ojovan
Keyword(s):  
Glass Transition ◽  
Heating Rate ◽  
Homogeneous Nucleation ◽  
Glassy State ◽  
Singular Values ◽  
Md Simulations ◽  
Melting Temperatures ◽  
Heating And Cooling ◽  
Dynamics Simulations ◽  
Universal Law

A second melting temperature occurs at a temperature Tn+ higher than Tm in glass-forming melts after heating them from their glassy state. The melting entropy is reduced or increased depending on the thermal history and on the presence of antibonds or bonds up to Tn+. Recent MD simulations show full melting at Tn+ = 1.119Tm for Zr, 1.126Tm for Ag, 1.219Tm for Fe and 1.354Tm for Cu. The non-classical homogeneous nucleation model applied to liquid elements is based on the increase of the Lindemann coefficient with the heating rate. The glass transition at Tg and the nucleation temperatures TnG of glacial phases are successfully predicted below and above Tm. The glass transition temperature Tg increases with the heating rate up to Tn+. Melting and crystallization of glacial phases occur with entropy and enthalpy reductions. A universal law relating Tn+ and TnG around Tm shows that TnG cannot be higher than 1.293Tm for Tn+= 1.47Tm. The enthalpies and entropies of glacial phases have singular values, corresponding to the increase of percolation thresholds with Tg and TnG above the Scher and Zallen invariant at various heating and cooling rates. The G-phases are metastable up to Tn+ because the antibonds are broken by homogeneous nucleation of bonds.

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