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  1. Free, publicly-accessible full text available November 1, 2025
  2. Abstract

    Refractory complex concentrated alloys (RCCAs) show potential as the next-generation structural materials due to their superior strength in extreme environments. However, RCCAs processed by metal additive manufacturing (AM) typically suffer from process-related challenges surrounding laser material interaction defects and microstructure control. Multimodalin situtechniques (synchrotron X-ray imaging and diffraction and infrared imaging) and melt pool-level simulations were employed to understand rapid solidification pathways in two representative RCCAs: (i) multi-phase BCC + HCP Ti0.4Zr0.4Nb0.1Ta0.1and (ii) single-phase BCC Ti0.486V0.375Cr0.111Ta0.028. As expected, laser material interaction defects followed similar systematic trends in process parameter space for both alloys. Additionally, both alloys formed a single-phase (BCC) microstructure after rapid solidification processing. However, significant differences in microstructure selection between these alloys were discovered, where Ti0.4Zr0.4Nb0.1Ta0.1showed a mixture of equiaxed and columnar grains, while Ti0.486V0.375Cr0.111Ta0.028was dominated by columnar growth. These behaviors were well described by the influence of undercooling effects on columnar-to-equiaxed transition (CET). Distinct microstructure formation in each alloy was verified through CET predictions via analytical melt pool simulations, which showed a ~ 5 × increase degrees in undercooling for Ti0.4Zr0.4Nb0.1Ta0.1compared to Ti0.486V0.375Cr0.111Ta0.028. Overall, these results show that microstructure control based on modulating the freezing range must be balanced with process considerations which resist defect formation, such as solidification crack formation in RCCAs.

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  3. Despite the critical role of sintering phenomena in constraining the long-term durability of nano-sized particles, a clear understanding of nanoparticle sintering has remained elusive due to the challenges in atomically tracking the neck initiation and discerning different mechanisms. Through the integration of in-situ transmission electron microscopy and atomistic modeling, this study uncovers the atomic dynamics governing the neck initiation of Pt-Fe nanoparticles via a surface self-diffusion process, allowing for coalescence without significant particle movement. Real-time imaging reveals that thermally activated surface morphology changes in individual nanoparticles induce significant surface self-diffusion. The kinetic entrapment of self-diffusing atoms in the gaps between closely spaced nanoparticles leads to the nucleation and growth of atomic layers for neck formation. This surface self-diffusion-driven sintering process is activated at a relatively lower temperature compared to the classic Ostwald ripening and particle migration and coalescence processes. The fundamental insights have practical implications for manipulating the morphology, size distribution, and stability of nanostructures by leveraging surface self-diffusion processes. 
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    Free, publicly-accessible full text available November 1, 2025
  4. Free, publicly-accessible full text available September 1, 2025
  5. One-dimensional lepidocrocite, 1DL, titania, TiO2, is a recently discovered form of this ubiquitous oxide that is of interest in a variety of applications ranging from photocatalysis to water purification, among others. The fundamental building blocks of these materials are snippets (30 nm long) of individual 1DLs that self-assemble into nanobundle, NB, structures. These NBs can then be driven to self-assemble into quasi-two-dimensional, 2D, sheets, films, or free-flowing mesoscopic particles. Here, we use analytical atomic-resolution scanning transmission electron microscopy (STEM) and first-principles density functional theory (DFT) calculations to demonstrate that the arrangement of the neighboring NFs can be altered through ion exchange with Li, Na, and tetramethylammonium hydroxide (TMA) cations. Moreover, using cryogenic electron energy-loss spectroscopy (EELS), we show that the introduction of different ion species results in a change in the local occupancy of the TiO2 t2g and eg orbitals. Both experimental findings are predicted by ground-state energy simulations of two-dimensional lepidocrocite TiO2. 
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  6. Abstract

    Drought stress poses a substantial challenge to plant growth and agricultural productivity worldwide. Upon water depletion, plants activate an abscisic acid (ABA) signaling pathway, leading to stomatal closure to reduce water loss. The MYB family of transcription factors plays diverse roles in growth, development, stress responses, and biosynthesis, yet their involvement in stomatal regulation remains unclear. Here, we demonstrate that ABA significantly upregulates the expression of MYB41, MYB74, and MYB102, with MYB41 serving as a key regulator that induces the expression of both MYB74 and MYB102. Through luciferase assays, chromatin immunoprecipitation (ChIP) assays, and electrophoretic mobility shift assays (EMSA), we reveal that MYB41 engages in positive feedback regulation by binding to its own promoter, thus amplifying its transcription in Arabidopsis (Arabidopsis thaliana). Furthermore, our investigation showed that MYB41 recruits BRAHMA (BRM), the core ATPase subunit of the SWI/SNF complex, to the MYB41 promoter, facilitating the binding of HISTONE DEACETYLASE 6 (HDA6). This recruitment triggers epigenetic modifications, resulting in reduced MYB41 expression characterized by elevated H3K27me3 levels and concurrent decreases in H3ac, H3K27ac, and H3K14ac levels in wild-type plants compared to brm knockout mutant plants. Our genetic and molecular analyses show that ABA mediates autoregulation of the MYB41-BRM module, which intricately modulates stomatal movement in A. thaliana. This discovery sheds light on a drought response mechanism with the potential to greatly enhance agricultural productivity.

     
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  7. Free, publicly-accessible full text available March 26, 2025
  8. In this work, we performed in situ nanoindentation in TEM to capture the real-time 〈c + a〉 dislocation and twinning activities in pure Mg during loading and unloading. We demonstrated that the screw component of 〈c + a〉 dislocations glides continuously, while the edge components rapidly become sessile during loading. The twin tip propagation is intermittent, whereas the twin boundary migration is more continuous. During unloading, we observed the elastic strain relaxation causes both 〈c + a〉 dislocation retraction and detwinning. Moreover, we note that the plastic zone comprised of 〈c + a〉 dislocations in Mg is well-defined, which contrasts with the diffused plastic zones observed in face-centered cubic metals under the nanoindentation impressions. Additionally, molecular dynamics simulations were performed to study the formation and evolution of deformation-induced crystallographic defects at the early stages of indentation. We observed that, in addition to 〈a〉 dislocations, the I1 stacking fault bounded with a 〈1/2c+p〉 Frank loop can be generated from the plastic zone ahead of the indenter, and potentially serve as a nucleation source for abundant 〈c + a〉 dislocations observed experimentally. These new findings are anticipated to provide new knowledge on the deformation mechanisms of Mg, which are difficult to obtain through conventional ex situ approaches. These observations may serve as a baseline for simulation work that investigate the dynamics of 〈c + a〉 dislocation slip and twinning in Mg and alloys. 
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  9. Abstract Refractory multi-principal element alloys (RMPEAs) are promising materials for high-temperature structural applications. Here, we investigate the role of short-range ordering (SRO) on dislocation glide in the MoNbTi and TaNbTi RMPEAs using a multi-scale modeling approach. Monte carlo/molecular dynamics simulations with a moment tensor potential show that MoNbTi exhibits a much greater degree of SRO than TaNbTi and the local composition has a direct effect on the unstable stacking fault energies (USFEs). From mesoscale phase-field dislocation dynamics simulations, we find that increasing SRO leads to higher mean USFEs and stress required for dislocation glide. The gliding dislocations experience significant hardening due to pinning and depinning caused by random compositional fluctuations, with higher SRO decreasing the degree of USFE dispersion and hence, amount of hardening. Finally, we show how the morphology of an expanding dislocation loop is affected by the applied stress. 
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