Atomistic modeling of heat treatment processes for tuning the mechanical properties of disordered solids

Priezjev, Nikolai V.

doi:10.1016/j.jnoncrysol.2019.03.031

Cited by 24 publications

(28 citation statements)

References 46 publications

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“…4 is comparable with energy changes found in Ref. [7] and the variation of the peak height was relatively small, the structural analysis was not performed in the present study.…”

Section: Resultssupporting

confidence: 89%

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Aging and rejuvenation during elastostatic loading of amorphous alloys: A molecular dynamics simulation study

Priezjev

2019

Computational Materials Science

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Using molecular dynamics simulations, we investigate the effect of uniaxial elastostatic compression on the potential energy, structural relaxation, and mechanical properties of binary glasses. We consider the three-dimensional Kob-Andersen binary mixture, which was initially cooled from the liquid state to the glass phase with a slow rate at zero pressure. The glass was then loaded with a static stress at the annealing temperature during extended time intervals. It is found that the static stress below the yielding point induces large-scale plastic deformation and significant rejuvenation when the annealing temperature is smaller than a fraction of the glass transition temperature. By contrast, aging effects become dominant at sufficiently small values of the static stress and higher annealing temperatures. The mechanical tests after the elastostatic compression have shown that both the elastic modulus and the yield stress decrease in rejuvenated samples, while the opposite trend was observed for relaxed glasses. These results might be useful for the thermomechanical processing of metallic glasses with optimized mechanical properties.

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“…4 is comparable with energy changes found in Ref. [7] and the variation of the peak height was relatively small, the structural analysis was not performed in the present study.…”

Section: Resultssupporting

confidence: 89%

“…7 and the peak value of the stress overshoot in Fig. 8 [7]. We lastly mention that the increase in σ Y as a function of t a at σ zz = 0 shown in Fig.…”

Section: Resultsmentioning

confidence: 69%

Aging and rejuvenation during elastostatic loading of amorphous alloys: A molecular dynamics simulation study

Priezjev

2019

Computational Materials Science

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“…It was previously found that the nonaffine measure is particularly well suited for identification of localized shear transformations in quiescent and deformed disordered solids [40][41][42]. More recently, the analysis of nonaffine displacements was used to elucidate the structural relaxation dynamics and yielding during time periodic deformation [14, 16, 18, 20-22, 27, 30, 31] and thermal processing [43][44][45][46][47] 8]. As shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

Alternating Shear Orientation During Cyclic Loading Facilitates Yielding in Amorphous Materials

Priezjev

2020

J. of Materi Eng and Perform

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The influence of alternating shear orientation and strain amplitude of cyclic loading on yielding in amorphous solids is investigated using molecular dynamics simulations. The model glass is represented via a binary mixture that was rapidly cooled well below the glass transition temperature and then subjected to oscillatory shear deformation. It was shown that periodic loading at strain amplitudes above the critical value first induces structural relaxation via irreversible displacements of clusters of atoms during a number of transient cycles, followed by an increase in potential energy due to the formation of a system-spanning shear band. Upon approaching the critical strain amplitude from above, the number of transient cycles required to reach the yielding transition increases. Interestingly, it was found that when the shear orientation is periodically alternated in two or three dimensions, the number of transient cycles is reduced but the critical strain amplitude remains the same as in the case of periodic shear along a single plane. After the yielding transition, the material outside the shear band continues strain-induced relaxation, except when the shear orientation is alternated in three dimensions and the glass is deformed along the shear band with the imposed strain amplitude every third cycle.

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“…Notably, it was recently demonstrated that upon triaxial compression at room temperature, metallic glasses can be rejuvenated and exhibit strain-hardening, which inhibits the formation of shear bands and catastrophic failure during uniaxial tension or compression tests [3,4]. In general, common methods to rejuvenate amorphous alloys and improve their plasticity include irradiation, cold rolling, high-pressure torsion, flash annealing [5][6][7][8], elastostatic loading [9][10][11][12][13][14][15][16][17][18], and more recently discovered, cryogenic thermal cycling [19][20][21]. It was originally shown that a particularly simple way to induce rejuvenation and improve mechanical properties of metallic glasses is to apply a static stress slightly below the macroscopic yield stress [9].…”

Section: Introductionmentioning

confidence: 99%

Atomistic modeling of heat treatment processes for tuning the mechanical properties of disordered solids

Cited by 24 publications

References 46 publications

Aging and rejuvenation during elastostatic loading of amorphous alloys: A molecular dynamics simulation study

Aging and rejuvenation during elastostatic loading of amorphous alloys: A molecular dynamics simulation study

Alternating Shear Orientation During Cyclic Loading Facilitates Yielding in Amorphous Materials

Accelerated rejuvenation in metallic glasses subjected to elastostatic compression along alternating directions

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