Yifan Wang

All Publications

• X-ray induced grain boundary formation and grain rotation in Bi2Se3 SCRIPTA MATERIALIA Katagiri, K., Kozioziemski, B., Folsom, E., Goede, S., Wang, Y., Appel, K., Chalise, D., Cook, P. K., Eggert, J., Howard, M., Kim, S., Konopkova, Z., Makita, M., Nakatsutsumi, M., Nielsen, M. M., Pelka, A., Poulsen, H. F., Preston, T. R., Reddy, T., Schwinkendrof, J., Seiboth, F., Simons, H., Wang, B., Yang, W., Zastrau, U., Kim, H., Dresselhaus-Marais, L. E. 2025; 256

  View details for DOI 10.1016/j.scriptamat.2024.116416

  View details for Web of Science ID 001342787300001

• Anomalous temperature dependence of elastic limit in metallic glasses. Nature communications Wang, Y., Liu, J., Jiang, J. Z., Cai, W. 2024; 15 (1): 171

  Abstract

  Understanding the atomistic mechanisms of inelastic deformation in metallic glasses (MGs) remains challenging due to their amorphous structure, where local carriers of plasticity cannot be easily defined. Using molecular dynamics (MD) simulations, we analyzed the onset of inelastic deformation in CuZr MGs, specifically the temperature dependence of the elastic limit, in terms of localized shear transformation (ST) events. We find that although the ST events initiate at lower strain with increasing temperature, the elastic limit increases with temperature in certain temperature ranges. We explain this anomalous behavior through the framework of an energy-strain landscape (ESL) constructed from high-throughput strain-dependent energy barrier calculations for the ST events identified in the MD simulations. The ESL reveals that the anomalous behavior is caused by the transition of ST events from irreversible to reversible with increasing temperature. An analytical formulation is developed to predict this transition and the temperature dependence of the elastic limit.

  View details for DOI 10.1038/s41467-023-44048-7

  View details for PubMedID 38167242

  View details for PubMedCentralID PMC10761975

• Strong and ductile nanoscale Ti-1Fe dual-phase alloy via deformation twinning SCRIPTA MATERIALIA Liu, C., Chen, J., Wang, Y., Ding, W., Tao, Q., Chen, G., Cai, W., Qin, M., Qu, X. 2023; 237

  View details for DOI 10.1016/j.scriptamat.2023.115720

  View details for Web of Science ID 001066804100001

• Strong and ductile niobium-based refractory alloy via deformable zirconia nanoparticles INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS Chen, J., Liu, C., Wang, Y., Ding, W., Tao, Q., Chen, G., Cai, W., Qin, M., Qu, X. 2024; 118

  View details for DOI 10.1016/j.ijrmhm.2023.106451

  View details for Web of Science ID 001109032500001

• Correlating chemistry and mass transport in sustainable iron production. Proceedings of the National Academy of Sciences of the United States of America Zheng, X., Paul, S., Moghimi, L., Wang, Y., Vilá, R. A., Zhang, F., Gao, X., Deng, J., Jiang, Y., Xiao, X., Wu, C., Greenburg, L. C., Yang, Y., Cui, Y., Vailionis, A., Kuzmenko, I., Llavsky, J., Yin, Y., Cui, Y., Dresselhaus-Marais, L. 2023; 120 (43): e2305097120

  Abstract

  Steelmaking contributes 8% to the total CO2 emissions globally, primarily due to coal-based iron ore reduction. Clean hydrogen-based ironmaking has variable performance because the dominant gas-solid reduction mechanism is set by the defects and pores inside the mm- to nm-sized oxide particles that change significantly as the reaction progresses. While these governing dynamics are essential to establish continuous flow of iron and its ores through reactors, the direct link between agglomeration and chemistry is still contested due to missing measurements. In this work, we directly measure the connection between chemistry and agglomeration in the smallest iron oxides relevant to magnetite ores. Using synthesized spherical 10-nm magnetite particles reacting in H2, we resolve the formation and consumption of wüstite (Fe1-xO)-the step most commonly attributed to whiskering. Using X-ray diffraction, we resolve crystallographic anisotropy in the rate of the initial reaction. Complementary imaging demonstrated how the particles self-assemble, subsequently react, and grow into elongated "whisker" structures. Our insights into how morphologically uniform iron oxide particles react and agglomerate in H2 reduction enable future size-dependent models to effectively describe the multiscale aspects of iron ore reduction.

  View details for DOI 10.1073/pnas.2305097120

  View details for PubMedID 37847734

• Transonic dislocation propagation in diamond. Science (New York, N.Y.) Katagiri, K., Pikuz, T., Fang, L., Albertazzi, B., Egashira, S., Inubushi, Y., Kamimura, G., Kodama, R., Koenig, M., Kozioziemski, B., Masaoka, G., Miyanishi, K., Nakamura, H., Ota, M., Rigon, G., Sakawa, Y., Sano, T., Schoofs, F., Smith, Z. J., Sueda, K., Togashi, T., Vinci, T., Wang, Y., Yabashi, M., Yabuuchi, T., Dresselhaus-Marais, L. E., Ozaki, N. 2023; 382 (6666): 69-72

  Abstract

  The motion of line defects (dislocations) has been studied for more than 60 years, but the maximum speed at which they can move is unresolved. Recent models and atomistic simulations predict the existence of a limiting velocity of dislocation motion between the transonic and subsonic ranges at which the self-energy of dislocation diverges, though they do not deny the possibility of the transonic dislocations. We used femtosecond x-ray radiography to track ultrafast dislocation motion in shock-compressed single-crystal diamond. By visualizing stacking faults extending faster than the slowest sound wave speed of diamond, we show the evidence of partial dislocations at their leading edge moving transonically. Understanding the upper limit of dislocation mobility in crystals is essential to accurately model, predict, and control the mechanical properties of materials under extreme conditions.

  View details for DOI 10.1126/science.adh5563

  View details for PubMedID 37796999

• Stress-dependent activation entropy in thermally activated cross-slip of dislocations. Proceedings of the National Academy of Sciences of the United States of America Wang, Y., Cai, W. 2023; 120 (34): e2222039120

  Abstract

  Cross-slip of screw dislocations in crystalline solids is a stress-driven thermally activated process essential to many phenomena during plastic deformation, including dislocation pattern formation, strain hardening, and dynamic recovery. Molecular dynamics (MD) simulation has played an important role in determining the microscopic mechanisms of cross-slip. However, due to its limited timescale, MD can only predict cross-slip rates in high-stress or high-temperature conditions. The transition state theory can predict the cross-slip rate over a broad range of stress and temperature conditions, but its predictions have been found to be several orders of magnitude too low in comparison to MD results. This discrepancy can be expressed as an anomalously large activation entropy whose physical origin remains unclear. Here, we resolve this discrepancy by showing that the large activation entropy results from anharmonic effects, including thermal softening, thermal expansion, and soft vibrational modes of the dislocation. We expect these anharmonic effects to be significant in a wide range of stress-driven thermally activated processes in solids.

  View details for DOI 10.1073/pnas.2222039120

  View details for PubMedID 37585466

• Discovery of multimechanisms of screw dislocation interaction in bcc iron from open-ended saddle point searches PHYSICAL REVIEW MATERIALS Wang, X., Wang, Y., Cai, W., Xu, H. 2022; 6 (12)

  View details for DOI 10.1103/PhysRevMaterials.6.123602

  View details for Web of Science ID 000909785500008

• Phagocytic 'teeth' and myosin-II 'jaw' power target constriction during phagocytosis. eLife Vorselen, D., Barger, S. R., Wang, Y., Cai, W., Theriot, J. A., Gauthier, N. C., Krendel, M. 2021; 10

  Abstract

  Phagocytosis requires rapid actin reorganization and spatially controlled force generation to ingest targets ranging from pathogens to apoptotic cells. How actomyosin activity directs membrane extensions to engulf such diverse targets remains unclear. Here, we combine lattice light-sheet microscopy (LLSM) with microparticle traction force microscopy (MP-TFM) to quantify actin dynamics and subcellular forces during macrophage phagocytosis. We show that spatially localized forces leading to target constriction are prominent during phagocytosis of antibody-opsonized targets. This constriction is largely driven by Arp2/3-mediated assembly of discrete actin protrusions containing myosin 1e and 1f ('teeth') that appear to be interconnected in a ring-like organization. Contractile myosin-II activity contributes to late-stage phagocytic force generation and progression, supporting a specific role in phagocytic cup closure. Observations of partial target eating attempts and sudden target release via a popping mechanism suggest that constriction may be critical for resolving complex in vivo target encounters. Overall, our findings present a phagocytic cup-shaping mechanism that is distinct from cytoskeletal remodeling in 2D cell motility and may contribute to mechanosensing and phagocytic plasticity.

  View details for DOI 10.7554/eLife.68627

  View details for PubMedID 34708690

• Stress effects on the energy barrier and mechanisms of cross-slip in FCC nickel JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS Kuykendall, W. P., Wang, Y., Cai, W. 2020; 144

  View details for DOI 10.1016/j.jmps.2020.104105

  View details for Web of Science ID 000571473500003

• Microparticle traction force microscopy reveals subcellular force exertion patterns in immune cell-target interactions. Nature communications Vorselen, D. n., Wang, Y. n., de Jesus, M. M., Shah, P. K., Footer, M. J., Huse, M. n., Cai, W. n., Theriot, J. A. 2020; 11 (1): 20

  Abstract

  Force exertion is an integral part of cellular behavior. Traction force microscopy (TFM) has been instrumental for studying such forces, providing spatial force measurements at subcellular resolution. However, the applications of classical TFM are restricted by the typical planar geometry. Here, we develop a particle-based force sensing strategy for studying cellular interactions. We establish a straightforward batch approach for synthesizing uniform, deformable and tuneable hydrogel particles, which can also be easily derivatized. The 3D shape of such particles can be resolved with superresolution (<50 nm) accuracy using conventional confocal microscopy. We introduce a reference-free computational method allowing inference of traction forces with high sensitivity directly from the particle shape. We illustrate the potential of this approach by revealing subcellular force patterns throughout phagocytic engulfment and force dynamics in the cytotoxic T-cell immunological synapse. This strategy can readily be adapted for studying cellular forces in a wide range of applications.

  View details for DOI 10.1038/s41467-019-13804-z

  View details for PubMedID 31911639

• Spherical harmonics method for computing the image stress due to a spherical void JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS Wang, Y., Zhang, X., Cai, W. 2019; 126: 151–67

  View details for DOI 10.1016/j.jmps.2019.01.020

  View details for Web of Science ID 000464090900009

• Strengthening Mechanism of a Single Precipitate in a Metallic Nanocube NANO LETTERS Kiani, M. T., Wang, Y., Bertin, N., Cai, W., Gu, X. 2019; 19 (1): 255–60

  Abstract

  Nano-precipitates play a significant role in the strength, ductility and damage tolerance of metallic alloys through their interaction with crystalline defects, especially dislocations. However, the difficulty of observing the action of individual precipitates during plastic deformation has made it challenging to conclusively determine the mechanisms of the precipitate-defect interaction for a given alloy system, and presents a major bottleneck in the rational design of nanostructured alloys. Here we demonstrate the in situ compression of core-shell nanocubes as a promising platform to determine the precise role of individual precipitates. Each nanocube with a dimension of ~85 nm contains a single spherical precipitate of ~25 nm diameter. The Au-core/Ag-shell nanocubes show a yield strength of 495 MPa with no strain hardening. The deformation mechanism is determined to be surface nucleation of dislocations which easily traverses through the coherent Au-Ag interface. On the other hand, the Au-core/Cu-shell nanocubes show a yield strength of 829 MPa with a pronounced strain hardening rate. Molecular dynamics and dislocation dynamics simulations, in conjunction with TEM analysis, have demonstrated the yield mechanism to be the motion of threading dislocations extending from the semi-coherent Au-Cu interface to the surface, and strain hardening to be caused by a single-armed Orowan looping mechanism. Nanocube compression offers an exciting opportunity to directly compare computational models of defect dynamics with in situ deformation measurements to elucidate the precise mechanisms of precipitate hardening.

  View details for DOI 10.1021/acs.nanolett.8b03857

  View details for Web of Science ID 000455561300032

  View details for PubMedID 30525680