اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدDiffusion in a model metallic glass: heterogeneity and ageing
72
0
0.0
(
0
)
تأليف
H. R. Schober
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
We report results of molecular dynamics simulations of a binary Lennard-Jones system at zero pressure in the undercooled liquid and glassy states. We first follow the evolution of diffusivity and dynamic heterogeneity with temperature and show their correlation. In a second step we follow the ageing of a quenched glass. As diffusivity decreases with ageing, heterogeneity increases. We conclude that the heterogeneity is a property of the inherent diffusion of the relaxed state. The variations with aging time can be explained by annealing of quenched defect structures. This annealing has the same decay constants for both diffusivity and heterogeneity of both components.
قيم البحث
اقرأ أيضاً
We test a hypothesis for the origin of dynamical heterogeneity in slowly relaxing systems, namely that it emerges from soft (Goldstone) modes associated with a broken continuous symmetry under time reparametrizations. We do this by constructing coars
e grained observables and decomposing the fluctuations of these observables into transverse components, which are associated with the postulated time-fluctuation soft modes, and a longitudinal component, which represents the rest of the fluctuations. Our test is performed on data obtained in simulations of four models of structural glasses. As the hypothesis predicts, we find that the time reparametrization fluctuations become increasingly dominant as temperature is lowered and timescales are increased. More specifically, the ratio between the strengths of the transverse fluctuations and the longitudinal fluctuations grows as a function of the dynamical susceptibility, chi 4, which represents the strength of the dynamical heterogeneity; and the correlation volumes for the transverse fluctuations are approximately proportional to those for the dynamical heterogeneity, while the correlation volumes for the longitudinal fluctuations remain small and approximately constant.
Amorphous solids such as glass are ubiquitous in our daily life and have found broad applications ranging from window glass and solar cells to telecommunications and transformer cores. However, due to the lack of long-range order, the three-dimension
al (3D) atomic structure of amorphous solids have thus far defied any direct experimental determination without model fitting. Here, using a multi-component metallic glass as a proof-of-principle, we advance atomic electron tomography to determine the 3D atomic positions in an amorphous solid for the first time. We quantitatively characterize the short-range order (SRO) and medium-range order (MRO) of the 3D atomic arrangement. We find that although the 3D atomic packing of the SRO is geometrically disordered, some SRO connect with each other to form crystal-like networks and give rise to MRO. We identify four crystal-like MRO networks - face-centred cubic, hexagonal close-packed, body-centered cubic and simple cubic - coexisting in the sample, which show translational but no orientational order. These observations confirm that the 3D atomic structure in some parts of the sample is consistent with the efficient cluster packing model. Looking forward, we anticipate this experiment will open the door to determining the 3D atomic coordinates of various amorphous solids, whose impact on non-crystalline solids may be comparable to the first 3D crystal structure solved by x-ray crystallography over a century ago.
Cryogenic rejuvenation in metallic glasses reported in Ketov et al s experiment (Nature(2015)524,200) has attracted much attention, both in experiments and numerical studies. The atomic mechanism of rejuvenation has been conjectured to be related t
o the heterogeneity of the glassy state, but the quantitative evidence is still elusive. Here we use molecular dynamics simulations of a model metallic glass to investigate the heterogeneity in the local thermal expansion. We then combine the resulting spatial distribution of thermal expansion with a continuum mechanics calculation to infer the internal stresses caused by a thermal cycle. Comparing the internal stress with the local yield stress, we prove that the heterogeneity in thermomechanical response has the potential to trigger local shear transformations, and therefore to induce rejuvenation during a cryogenic thermal cycling.
We use computer simulation to investigate the topology of the potential energy $V({{bf R}})$ and to search for doublewell potentials (DWP) in a model glass . By a sequence of Newtonian and dissipative dynamics we find different minima of $V({{bf R}})
$ and the energy profile along the least action paths joining them. At variance with previous suggestions, we find that the parameters describing the DWPs are correlated among each others. Moreover, the trajectory of the system in the 3$N$-d configurational phase space follows a quasi-1-d manifold. The motion parallel to the path is characterized by jumps between minima, and is nearly uncorrelated from the orthogonal, harmonic, dynamics.
We introduce an efficient dynamical tree method that enables us, for the first time, to explicitly demonstrate thermo-remanent magnetization memory effect in a hierarchical energy landscape. Our simulation nicely reproduces the nontrivial waiting-tim
e and waiting-temperature dependences in this non-equilibrium phenomenon. We further investigate the condensation effect, in which a small set of micro-states dominates the thermodynamic behavior, in the multi-layer trap model. Importantly, a structural phase transition of the tree is shown to coincide with the onset of condensation phenomenon. Our results underscore the importance of hierarchical structure and demonstrate the intimate relation between glassy behavior and structure of barrier trees.
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
