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1.
J Chem Phys ; 152(7): 074506, 2020 Feb 21.
Article En | MEDLINE | ID: mdl-32087649

Even though the viscosity is one of the most fundamental properties of liquids, the connection with the atomic structure of the liquid has proven elusive. By combining inelastic neutron scattering with the electrostatic levitation technique, the time-dependent pair-distribution function (i.e., the Van Hove function) has been determined for liquid Zr80Pt20. We show that the decay time of the first peak of the Van Hove function is directly related to the Maxwell relaxation time of the liquid, which is proportional to the shear viscosity. This result demonstrates that the local dynamics for increasing or decreasing the coordination number of local clusters by one determines the viscosity at high temperature, supporting earlier predictions from molecular dynamics simulations.

2.
J Chem Phys ; 148(20): 204502, 2018 May 28.
Article En | MEDLINE | ID: mdl-29865850

It is widely, although not universally, believed that there must be a connection between liquid dynamics and the structure. Previous supporting studies, for example, have demonstrated a link between the structural evolution in the liquid and kinetic fragility. Here, new results are presented that strengthen the evidence for a connection. By combining the results from high-energy synchrotron X-ray scattering studies of containerlessly processed supercooled liquids with viscosity measurements, an accelerated rate of structural ordering beyond the nearest neighbors in the liquid is demonstrated to correlate with the temperature at which the viscosity transitions from Arrhenius to super-Arrhenius behavior. This is the first confirmation of predictions from several recent molecular dynamics studies.

3.
J Chem Phys ; 146(15): 154506, 2017 Apr 21.
Article En | MEDLINE | ID: mdl-28433017

The thermal expansion coefficients, structure factors, and viscosities of twenty-five equilibrium and supercooled metallic liquids have been measured using an electrostatic levitation (ESL) facility. The structure factor was measured at the Advanced Photon Source, Argonne, using the ESL. A clear connection between liquid fragility and structural and volumetric changes at high temperatures is established; the observed changes are larger for the more fragile liquids. It is also demonstrated that the fragility of metallic liquids is determined to a large extent by the cohesive energy and is, therefore, predictable. These results are expected to provide useful guidance in the future design of metallic glasses.

4.
J Chem Phys ; 145(20): 204505, 2016 Nov 28.
Article En | MEDLINE | ID: mdl-27908127

The state-of-the-art experimental and atomistic simulation techniques were utilized to study the structure of the liquid and amorphous Ni62Nb38 alloy. First, the ab initio molecular dynamics (AIMD) simulation was performed at rather high temperature where the time limitations of the AIMD do not prevent to reach the equilibrium liquid structure. A semi-empirical potential of the Finnis-Sinclair (FS) type was developed to almost exactly reproduce the AIMD partial pair correlation functions (PPCFs) in a classical molecular dynamics simulation. This simulation also showed that the FS potential well reproduces the bond angle distributions. The FS potential was then employed to elongate the AIMD PPCFs and determine the total structure factor (TSF) which was found to be in excellent agreement with X-ray TSF obtained within the present study demonstrating the reliability of the AIMD for the simulation of the structure of the liquid Ni-Nb alloys as well as the reliability of the developed FS potential. The glass structure obtained with the developed potential was also found to be in excellent agreement with the X-ray data. The analysis of the structure revealed that a network of the icosahedra clusters centered on Ni atoms is forming during cooling the liquid alloy down to Tg and the Nb Z14, Z15, and Z16 clusters are attached to this network. This network is the main feature of the Ni62Nb38 alloy and further investigations of the properties of this alloy should be based on study of the behavior of this network.

5.
Anat Rec ; 223(1): 82-9, 1989 Jan.
Article En | MEDLINE | ID: mdl-2464959

Rhodamine-conjugated phalloidin staining was used to study the distribution of filamentous actin in the developing heart of embryonic chicks and rats during the morphogenetic period of cardiac septation. In the chick, intense fluorescence indicative of abundant filamentous actin was observed along the myocardium and in the mesenchymal condensations that formed within the aorticopulmonary septum at day 5. Such cellular condensations and concentration of filamentous actin were not seen in the atrioventricular cushions nor in the preseptation outflow tract. Similar results were found in the 14-day rat embryo. In electron micrographs, microfilament bundles with irregular dense bodies were seen in elongated mesenchymal cells between the valve sites of both species. Cell-cell contacts were observed between such elongated cells and myocyte processes protruding from the nearby myocardial sheath. These histochemical and ultrastructural observations suggest that such mesenchymal condensations serve a specialized mechanical tensile role during embryonic septation of cardiac outflow channels.


Cytoplasm/ultrastructure , Heart/embryology , Myocardium/ultrastructure , Organelles/ultrastructure , Actins/analysis , Animals , Chick Embryo , Female , Male , Microscopy, Electron , Phalloidine , Rats , Rats, Inbred Strains , Rhodamines , Staining and Labeling/methods
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