arXiv subjects

Qianying Shi

Publications and source records attributed to Qianying Shi.

4 recordsLinked to original sources

arXiv2026

Phase-field simulations of nucleation, growth, and coarsening of $β_1$ precipitates in Mg-Nd alloys

The spatial distribution and morphology of precipitates formed during aging are key factors that determine the precipitation hardening response of various magnesium-rare earth alloys. In recent years, the use of high-performance computing clusters and massively parallel frameworks has enabled quantitative simulations of the evolution of individual and multiple precipitates at relevant length and time scales. However, predictive modeling of precipitate evolution remains challenging, in part because many key thermodynamic and kinetic parameters governing the underlying physics are either unknown or have a high degree of uncertainty. In this work, we developed a workflow in which experimental data were used to parameterize a phase-field model to perform two-dimensional (2D) simulations of concurrent nucleation and evolution of $β_1$ precipitates in magnesium-neodymium alloy during aging. Matrix composition and precipitate number density at different aging times were obtained from atom probe tomography and transmission electron microscopy measurements, respectively. We applied a stereological method to estimate the three-dimensional (3D) number densities from experimental cross-sectional transmission electron micrographs. The estimated 3D number density data were then converted to effective 2D number densities. The effective 2D number density and composition data were used to determine the required model parameters by minimizing the discrepancy between simulation and experimental results. The parameterized model allows for quantitative phase-field simulations of nucleation and growth of $β_1$ precipitates, which can be employed to optimize aging time to achieve a target number density of precipitates. This work highlights an approach to overcome the challenges associated with parameterizing a coupled phase-field and nucleation model.

cond-mat.mtrl-sci↗

arXiv2026

The influence of Y content on grain structure evolution in Mg-Y alloys

To advance the understanding of microstructural evolution behavior in Mg-rare earth alloys, the effect of yttrium (Y) addition on static recrystallization and grain growth in Mg alloys was systematically investigated in extruded Mg-1wt.%Y and Mg-7wt.%Y alloys. Y addition was found to significantly retard the microstructural evolution, primarily due to its solute drag effect arising from Y segregation at grain boundaries. The relative intensity of solute drag effects from different alloying elements in Mg alloys was further assessed from both thermodynamic and kinetic perspectives, considering their grain boundary segregation tendencies and diffusivities. Additionally, static recrystallization in Mg-Y alloys was observed to proceed via a two-stage behavior characterized with two distinct JMAK exponents, indicating the heterogeneous nucleation of recrystallized grains. Abnormal grain growth (AGG) behavior was observed in these Mg-Y alloys. Overall, this study highlights the critical role of Y segregation at grain boundaries in controlling recrystallization and grain growth kinetics in Mg-Y alloys. This provides new insights into the design of thermally stable Mg alloys with refined microstructures.

cond-mat.mtrl-sci↗

arXiv2026

Understanding the influence of yttrium on the dominant twinning mode and local mechanical field evolution in extruded Mg-Y alloys

Twinning is a primary deformation mechanism in Mg alloys. This study focuses on tension twins during uniaxial compression of Mg-Y alloys, with three key aspects: the orientation specificity of twin grains, the relative evolution of CRSS with increasing Y content, and the local stress and strain evolution at twin sites. Experimental characterization and crystal plasticity modeling were performed. In Mg-7wt.%Y, TT2-{112-1} tension twins were observed in addition to the common TT1-{101-2} twins. Increasing Y suppressed TT1 formation while promoting TT2 activity. A previously unreported group of crystallographic orientations with a higher global Schmid factor for slip was identified, which exhibited TT1 twinning with increasing compression strain. To elucidate Y effects on twin activity and local mechanical fields, both TT1 and TT2 tension twin modes were incorporated into PRISMS-Plasticity, an open-source, finite element-based crystal plasticity solver. Four binary Mg-Y alloys were modeled under compression, and statistical analysis was conducted to correlate initial orientations, stress-strain distributions, and twin activities as functions of Y concentration. The plasticity analysis revealed that increasing Y decreases the CRSS ratio of prismatic and pyramidal slip relative to TT1 twinning, while the slip-to-twin CRSS ratio for TT2 increases, thereby serving as a potential indicator of differential twin activity with Y addition in Mg alloys. Additionally, despite their small volume fraction, TT2 twin sites were predicted higher local strain accumulation locally, relative to the representative volume element and TT1 twins, suggesting their potential influence on localized phenomena such as recrystallization or twin nucleation. These findings provide insight into local mechanical behavior in Mg alloys and support alloy design for advanced engineering applications.

cond-mat.mtrl-sci↗

arXiv2024

Three-dimensional nucleation and growth of deformation twins in magnesium

At two-thirds the weight of aluminum, magnesium alloys have the potential to significantly reduce the fuel consumption of transportation vehicles. These advancements depend on our ability to optimize the desirable versus undesirable effects of deformation twins: three dimensional (3D) microstructural domains that form under mechanical stresses. Previously only characterized using surface or thin-film measurements, here, we present the first 3D in-situ characterization of deformation twinning inside an embedded grain over mesoscopic fields of view using dark-field X-ray microscopy supported by crystal plasticity finite element analysis. The results reveal the important role of triple junctions on twin nucleation, that twin growth behavior is irregular and can occur in several directions simultaneously, and that twin-grain and twin-twin junctions are the sites of localized dislocation accumulation, a necessary precursor to crack initiation.

cond-mat.mtrl-sci↗