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Analysis of the transient behavior of nucleation in the Fe40Ni40P14B6 glass
Journal of Alloys and Compounds. 2018. Vol. 744. P. 141–145.
Aronin A., Vasiliev S. V., Tkatch V., Kovalenko O. V., Rassolov S. G.
The experimental isothermal kinetic curves for the Fe40Ni40P14B6 glass measured in the temperature range from 617 to 662 K have been analyzed with using the analytical equation derived as a combination of the integral form of Kolmogorov’s equation of mass crystallization kinetics and the Kashchiev’s transient nucleation model. Two free parameters of the model have been estimated: i) the crystallization time that is inversely proportional to the rates of nucleation and growth (τc) and ii) the transient nucleation time (τns). For both the times, an Arrhenius-type temperature dependence has been established, with activation energies of 38300 and 70650 K, respectively. Both the Avrami exponent, n, and the τns/τc ratio decrease as the annealing temperature rises (from 6.79 to 4.36 and from 1.47 to 0.025, respectively). This fact indicates approaching to the steady state nucleation rate. The steady state nucleation rate in the Fe40Ni40P14B6 glass estimated with using the values of growth rate available in the literature increases from 1.5×1016 to 1.7×1017 m–3s–1. The values of the crystal/liquid interfacial energy calculated within the classical model of homogeneous nucleation are 0.152–0.156 J/m2 in the temperature range investigated.
Joás Grossi, Pisarev V., Journal of Physics: Condensed Matter 2022 Vol. 35 No. 1 Article 015401
In this work we use the two-temperature model coupled to molecular dynamics with sinks at the boundaries of the electronic subsystem to study crystal-growth rate in a quasi one-dimensional W crystal into a supercooled melt. The possibility of varying the extension of the electronic grid along with the sinks allows a more realistic description of ...
Added: November 1, 2022
Priezjev N., Journal of Non-Crystalline Solids 2022 Vol. 590 Article 121697
The effect of cyclic shear deformation on structural relaxation and yielding in binary glasses was examined using molecular dynamics simulations. We studied a binary mixture slowly cooled from the liquid phase to about half the glass transition temperature and then periodically deformed at small strain amplitudes during thousands of cycles. We found that the potential energy decays logarithmically upon ...
Added: May 16, 2022
Priezjev N., Computational Materials Science 2021 Vol. 200 P. 1–8
The effect of glass stability on the yielding transition and
mechanical properties of periodically deformed binary glasses is
investigated using molecular dynamics simulations. We consider a
binary mixture first slowly cooled below the glass transition
temperature and then mechanically annealed to deeper energy states
via small-amplitude oscillatory shear deformation. We show that upon
increasing glass stability, the shear modulus and ...
Added: May 23, 2021
Priezjev N., Journal of Non-Crystalline Solids 2021 Vol. 560
The influence of variable-amplitude loading on the potential energy
and mechanical properties of amorphous materials is investigated
using molecular dynamics simulations. We study a binary mixture that
is either rapidly or slowly cooled across the glass transition
temperature and then subjected to a sequence of shear cycles with
strain amplitudes above and below the yielding strain. It was found
that well ...
Added: January 12, 2021
Priezjev N., Metals 2021 Vol. 11 P. 67
The effect of tensile stress applied during cooling of binary glasses on the potential energy states and mechanical properties is investigated using molecular dynamics simulations. We study the three-dimensional binary mixture that was first annealed near the glass transition temperature and then rapidly cooled under tension into the glass phase. It is found that at ...
Added: December 30, 2020
Kirova E. M., Pisarev V., Journal of Crystal Growth 2019 Vol. 528 P. 125266
We present a molecular dynamics (MD) study of size effect on the crystal nuclei geometry, formation and growth in supercooled tantalum film. The process is studied in a set of MD trajectories that are obtained by ultrafast cooling from the stable liquid phase to the temperature below the glass transition temperature. We describe the nucleation ...
Added: June 29, 2020
Fleita D., Norman G., Pisarev V., Journal of Physics: Condensed Matter 2020 Vol. 32 No. 21 P. 214009
The previously discovered features of the temperature behaviour of four-point spatial correlators allow us to study transitions to metastable states. Similar integral characteristics simultaneously study microscopic effects (vortex formation and clustering) and the effect of these phenomena on the thermodynamics of the whole system. It is shown that spatial and temporal behaviour of correlators in ...
Added: February 18, 2020
Fleita D., Pisarev V., Norman G., Journal of Physics: Conference Series 2019 Vol. 1147 P. 012015
A possibility of a transition into a glassy state of binary alloys based on aluminum, nickel, and copper after ultrafast cooling has been investigated using the method of molecular dynamics. It was demonstrated that some 4-point correlators changed their behavior and depended on the parameters of the metastable alloy state. By analyzing the complex dynamics ...
Added: February 18, 2020
Aronin A., Zolotorevsky V. S., Bazlov A. I. et al., The Minerals, Metals & Materials Society 2019 Vol. 71 No. 11 P. 4079–4085
Deformation-induced crystallization behavior of the Al85Y8Ni5Co2 metallic glassy samples subjected to cold and hot rolling with 35% size reduction is studied in the present work. The formation of primary nanoscale α-Al particles is observed after rolling at 473 K, which is below the glass-transition and crystallization temperature. It is found that contrary to thermal crystallization ...
Added: November 25, 2019
Kirova E. M., Norman G., Pisarev V., Письма в Журнал экспериментальной и теоретической физики 2019 Т. 110 № 5 С. 343–347
It is shown that a sharp increase in viscosity, a change in the decay rate of correlations, and the appearance
of nonequilibrium and transverse sound in a thin film of aluminum melt during rapid cooling occur in the
same temperature range. The analysis is performed using the shear stress autocorrelation functions calculated by the molecular dynamics method. ...
Added: October 21, 2019
Priezjev N., Journal of Non-Crystalline Solids 2019 Vol. 525 P. 119683
The effect of alternating shear orientation during cyclic loading on the relaxation dynamics in disordered solids is examined using molecular dynamics simulations. The model glass was initially prepared by rapid cooling from the liquid state and then subjected to cyclic shear along a single plane or periodically alternated in two or three dimensions. We showed ...
Added: August 19, 2019
Priezjev N., Computational Materials Science 2020 Vol. 174 P. 109477
The influence of thermal processing on the potential energy, atomic
structure, and mechanical properties of metallic glasses is examined
using molecular dynamics simulations. We study the three-dimensional
binary mixture, which was first relaxed near the glass transition
temperature, and then rapidly cooled deep into the glass phase. It
was found that glasses prepared at higher annealing temperatures are
relocated to higher ...
Added: August 1, 2019
Kirova E. M., Pisarev V., Journal of Physics: Conference Series 2019 Vol. 1147 No. 012014 P. 1–5
In this study, the glass transition criteria based on the viscosity change and on the transverse sound propagation, that were obtained for the aluminum melt, are validated on the aluminum–copper film. Molecular dynamics method is used to study the isobaric cooling process. The glass transition temperature is estimated from the dependence of the oscillation damping ...
Added: February 6, 2019
Priezjev N., Journal of Non-Crystalline Solids 2019 Vol. 518 P. 128–133
We investigate the effect of a single heat treatment cycle on the potential energy states and mechanical properties of metallic glasses using molecular dynamics simulations. We consider the three-dimensional binary mixture, which was initially cooled with a computationally slow rate from the liquid state to the solid phase at a temperature well below the glass ...
Added: January 28, 2019
Priezjev N., Liu Q., Computational Materials Science 2019 Vol. 161 P. 93–98
We study the effect of periodic, spatially uniform temperature variation on mechanical properties and structural relaxation of amorphous alloys using molecular dynamics simulations. The disordered material is modeled via a non-additive binary mixture, which is annealed from the liquid to the glassy state with various cooling rates and then either aged at constant temperature or ...
Added: November 6, 2018
Priezjev N., Journal of Non-Crystalline Solids 2019 Vol. 503-504 P. 131–138
The structural relaxation, potential energy states, and mechanical properties of a model glass subjected to thermal cycling are investigated using molecular dynamics simulations. We study a non-additive binary mixture which is annealed with different cooling rates from the liquid phase to a low temperature well below the glass transition. The thermal treatment is applied by ...
Added: August 20, 2018
Priezjev N., Computational Materials Science 2018 Vol. 153 P. 235–240
The effect of cyclic loading on relaxation dynamics and mechanical properties of metallic glasses is studied using molecular dynamics simulations. We consider the Kob-Andersen three-dimensional binary mixture rapidly cooled across the glass transition and subjected to thousands of tension-compression cycles in the elastic range. It was found that during cyclic loading at constant pressure, the ...
Added: April 20, 2018
Priezjev N., Makeev M., Journal of Non-Crystalline Solids 2018 Vol. 500 P. 1–10
The role of porous structure and glass density in the response behavior to compressive deformation of amorphous materials is investigated via molecular dynamics simulations. The disordered, porous structures were prepared by quenching a high-temperature binary mixture below the glass transition point into the phase coexistence region. With decreasing average glass density, the pore morphology in ...
Added: April 2, 2018
Priezjev N., Makeev M., Computational Materials Science 2018 Vol. 150 P. 134–143
The evolution of porous structure and mechanical properties of binary glasses under tensile loading were examined using molecular dynamics simulations. We consider vitreous systems obtained in the process of phase separation taking place after a rapid isochoric quench of a glass-forming liquid to temperatures below the glass transition point. The porous structure in undeformed samples ...
Added: April 2, 2018
Priezjev N., Computational Materials Science 2018 Vol. 150 P. 162–168
Non-equilibrium molecular dynamics simulations are performed to investigate the dynamic behavior of three-dimensional binary glasses prepared via an instantaneous quench across the glass transition. We found that with increasing strain amplitude up to a critical value, the potential energy approaches lower minima in steady state, whereas the amplitude of shear stress oscillations becomes larger. Below ...
Added: March 26, 2018
Priezjev N., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2015 Vol. 91 P. 032412
The effect of a local shear transformation on plastic deformation of a three-dimensional amorphous solid is studied using molecular dynamics simulations.We consider a spherical inclusion, which is gradually transformed into an ellipsoid of the same volume and then converted back into the sphere. It is shown that at sufficiently large strain amplitudes, the deformation of ...
Added: December 6, 2017
Priezjev N., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2017 Vol. 95 P. 023002-1–023002-7
Using molecular dynamics simulations, we study the transient response of a binary Lennard-Jones glass subjected to periodic shear deformation. The amorphous solid is modeled as a three-dimensional Kob-Andersen binary mixture at a low temperature. The cyclic loading is applied to slowly annealed, quiescent samples, which induces irreversible particle rearrangements at large strain amplitudes, leading to ...
Added: December 6, 2017
Priezjev N., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2016 Vol. 93 P. 013001-1–013001-5
The effect of oscillatory shear strain on nonaffine rearrangements of individual particles in a three-dimensional binary glass is investigated using molecular dynamics simulations. The amorphous material is represented by the Kob-Andersen mixture at the temperature well below the glass transition. We find that during periodic shear deformation of the material, some particles undergo reversible nonaffine ...
Added: December 6, 2017