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Kyriakou, I.*; Papadopoulos, A.*; Polopetrakis, I.*; Kotroumbelou, C.*; Plante, I.*; Matsuya, Yusuke; Kai, Takeshi; Qiu, R.*; Li, J.*; Kundr
t, P.*; et al.
Physics in Medicine & Biology, 71(8), p.085009_1 - 085009_25, 2026/04
Times Cited Count：0 Percentile：0.00(Engineering, Biomedical)Several Monte Carlo Track-Structure (MCTS) codes for liquid water have been developed worldwide over the last 40 years; however, use the different interaction cross sections. This study evaluates the uncertainties of physical features (electronic stopping power, pathlength, dose-point-kernel, and microdosimetry) of low-energy electron transport in liquid water by using 6 types of MCTS codes. The intercomparison results reveal significant differences among MCTS codes at low energies, especially below ~100 eV, potentially compromising the accuracy of DNA damage simulations where such electrons play a key role. The present work highlights the need for further development of the physics models used in MCTS codes to reduce the uncertainties associated with low-energy electron transport calculations in liquid water.
Qin, T. Y.*; Hu, F. F.*; Xu, P. G.; Zhang, R.*; Su, Y. H.; Ao, N.*; Li, Z. W.*; Shinohara, Takenao; Shobu, Takahisa; Wu, S. C.*
International Journal of Fatigue, 202, p.109233_1 - 109233_16, 2026/01
Times Cited Count：4 Percentile：68.30(Engineering, Mechanical)Che, G.*; Tang, X.*; Liu, J.*; Lang, P.*; Fei, Y.*; Yang, X.*; Wang, Y.*; Gao, D.*; Wang, X.*; Ju, J.*; et al.
Nano Letters, 25(39), p.14467 - 14472, 2025/09
Times Cited Count：1 Percentile：31.65(Chemistry, Multidisciplinary)Mechanochemical radical polymerization has unique advantages in the synthesis of polymer due to its reduced solvent consumption and adaptability of insoluble monomers. However, it suffers from the uncontrollable degradation of the formed polymers during reaction and new synthetic strategy with precise controllability needs to be developed. Here, by employing high static pressure up to 30 GPa, we found 1,3,5-trifluorobenzene undergoes radical polymerization by breaking the conjugated 
-bonds, and forms a carbon nanothread with high selectivity (Polymer-I polymorph). Based on the crystal structure at the threshold pressure and the calculated energy barriers for the bonding pathway, we concluded that the benzene-rings react via a 1-2 radical polymerization pathway. Our work highlights high pressure is a robust method to initiate the solid-state radical polymerization, even for very stable aromatics, and offers fresh insights for the synthesis of polymeric carbon-based materials with high selectivity.
Zhao, X.*; Zhang, Z.*; Hattori, Takanori; Wang, J.*; Li, L.*; Jia, Y.*; Li, W.*; Xue, J.*; Fan, X.*; Song, R.*; et al.
Nature Communications (Internet), 16, p.7713_1 - 7713_8, 2025/08
Times Cited Count：6 Percentile：81.24(Multidisciplinary Sciences)Caloric effects usually occur in the vicinity of solid-state phase transitions with a limited refrigeration temperature span. Here, we introduce and realize an unprecedented concept -all temperature barocaloric effect, i.e., a remarkable barocaloric effect in KPF
across an exceptionally wide temperature span, from 77.5 to 300 K and potentially down to 4 K, covering typical room temperature, liquid nitrogen, liquid hydrogen, and liquid helium refrigeration regions. The directly measured barocaloric adiabatic temperature change reaches 12 K at room temperature and 2.5 K at 77.5 K upon the release of a 250 MPa pressure. This effect is attributed to a persistent phase transition to a rhombohedral high pressure phases. We depict the thermodynamic energy landscape to account for the structural instability. This unique all-temperature barocaloric effect presents a novel approach to highly applicable solid-state refrigeration technology, transcending the conventional multi-stage scenario.
Go, G.*; Goli, D. P.*; Esaki, Nanse; Tserkovnyak, Y.*; Kim, S. K.*
Physical Review Research (Internet), 7(2), p.L022066_1 - L022066_7, 2025/06
neutron imaging and diffraction analysis revealing spatial lithiation phase evolution in an ultra-thick graphite electrodeStrobl, M.*; Baur, M. E.*; Samothrakitis, S.*; Malamud, F.*; Zhang, X.*; Tung, P. K. M.*; Schmidt, S.*; Woracek, R.*; Lee, J.*; Kiyanagi, Ryoji; et al.
Advanced Energy Materials, 15(20), p.2405238_1 - 2405238_9, 2025/05
Times Cited Count：9 Percentile：91.57(Chemistry, Physical)Li, F.*; Tang, X.*; Fei, Y.*; Zhang, J.*; Liu, J.*; Lang, P.*; Che, G.*; Zhao, Z.*; Zheng, Y.*; Fang, Y.*; et al.
Journal of the American Chemical Society, 147(17), p.14054 - 14059, 2025/04
Times Cited Count：1 Percentile：27.91(Chemistry, Multidisciplinary)We synthesized a crystalline graphane nanoribbon (GANR) via pressure-induced polymerization of 2,2'-bipyrazine (BPZ). By performing Rietveld refinement of in situ neutron diffraction data, nuclear magnetic resonance spectroscopy, infrared spectra, and theoretical calculation, we found that BPZ experienced Diels-Alder polymerization between the 
stacked aromatic rings, and formed extended boat-GANR structures with exceptional long-range order. The unreacted -C=N- groups bridge the two ends of the boat, and ready for further functionalization. The GANR has a bandgap of 2.25 eV, with booming photoelectric response (
/
=18.8). Our work highlights that the high-pressure topochemical polymerization is a promising method for the precise synthesis of graphane with specific structure and desired properties.
Xu, J.*; Lang, P.*; Liang, S.*; Zhang, J.*; Fei, Y.*; Wang, Y.*; Gao, D.*; Hattori, Takanori; Abe, Jun*; Dong, X.*; et al.
Journal of Physical Chemistry Letters (Internet), 16(10), p.2445 - 2451, 2025/03
Times Cited Count：3 Percentile：76.32(Chemistry, Physical)The Alder-ene reaction is a chemical reaction between an alkene with an allylic hydrogen, and it provides an efficient method to construct the C-C bond. Traditionally, this reaction requires catalysts, high temperatures, or photocatalysis. In this study, we reported a high-pressure-induced solid-state Alder-ene reaction of 1-hexene at room temperature without a catalyst. 1-Hexene crystallizes at 4.3 GPa and polymerizes at 18 GPa, forming olefins. By exploring gas chromatography-mass spectrometry, we discovered that 1-hexene generates dimeric products through the Alder-ene reaction under high pressures. The in situ neutron diffraction shows that the reaction process did not obey the topochemical rule. A six-membered ring transition state including one C-H 
bond and two alkene bonds was evidenced by the theoretical calculation, whose energy obviously decreased when compressed to 20 GPa. Our work offers a novel and promising method to realize the Alder-ene reaction at room temperature without a catalyst, expanding the application of this important reaction.
Papadopoulos, A.*; Kyriakou, I.*; Matsuya, Yusuke; Cort
s-Giraldo, M. A.*; Galocha-Oliva, M.*; Plante, I.*; Steward, R. D.*; Tran, N. H.*; Li, W.*; Daglis, I. A.*; et al.
Radiation and Environmental Biophysics, 64(1), p.117 - 135, 2025/03
Times Cited Count：3 Percentile：67.73(Biology)Radiation quality for determining biological effects is commonly linked to the microdosimetric quantity, especially dose-mean lineal energy y
. Calculations of y can be performed by sophisticated Monte Carlo track structure (MCTS) codes. The y estimate depends on the type of the MCTS code and analysis model. This study focused on proton beams with 1 MeV-1 GeV, which are important in radiation protection, space applications, radiation therapy, etc., and compared the estimates of the y in liquid water by various MCTS codes (PHITS, RITRACK, and Geant4-DNA) and analysis models (refined Xapsos model). The comparison results showed that good agreement with the refined Xapsos model and various MCTS codes can be attained at less than 10-20% level, and Q values by the analytic model are also in better agreement with MCTS simulation data. These findings conclude that the refined analytic model might be used as an alternative to time- and CPU-intensive MCTS simulations and advance practical calculations of radiation qualities and risk assessment.
Brumm, S.*; Gabrielli, F.*; Sanchez Espinoza, V.*; Stakhanova, A.*; Groudev, P.*; Petrova, P.*; Vryashkova, P.*; Ou, P.*; Zhang, W.*; Malkhasyan, A.*; et al.
Annals of Nuclear Energy, 211, p.110962_1 - 110962_16, 2025/02
Times Cited Count：15 Percentile：96.81(Nuclear Science & Technology)Yang, X.*; Che, G.*; Wang, Y.*; Zhang, P.*; Tang, X.*; Lang, P.*; Gao, D.*; Wang, X.*; Wang, Y.*; Hattori, Takanori; et al.
Nano Letters, 25(3), p.1028 - 1035, 2025/01
Times Cited Count：7 Percentile：87.89(Chemistry, Multidisciplinary)Saturated sp
-carbon nanothreads (CNTh) have garnered significant interest due to their predicted high Young's modulus and thermal conductivity. While the incorporation of heteroatoms into the central ring has been shown to influence the formation of CNTh and yield chemically homogeneous products, the impact of pendant groups on the polymerization process remains underexplored. In this study, we investigate the pressure-induced polymerization of phenol, revealing two phase transitions occurring below 0.5 and 4 GPa. Above 20 GPa, phenol polymerizes into degree-4 CNThs featuring hydroxyl and carbonyl groups. Hydrogen transfer of hydroxyl groups was found to hinder the formation of degree-6 nanothreads. Our findings highlight the crucial role of the hydroxyl group in halting further intracolumn polymerization and offer valuable insights for future mechanism research and nanomaterial synthesis.
Liu, P.-F.*; Li, X.*; Li, J.*; Zhu, J.*; Tong, Z.*; Kofu, Maiko*; Nirei, Masami; Xu, J.*; Yin, W.*; Wang, F.*; et al.
National Science Review, 11(12), p.nwae216_1 - nwae216_10, 2024/12
Times Cited Count：27 Percentile：91.43(Multidisciplinary Sciences)Yee-Rendon, B.; Jameson, R. A.*; Okamura, Masahiro*; Li, C.*; Jiang, P.*; Maus, J. M.*
Proceedings of 32nd Linear Accelerator Conference (LINAC 2024) (Internet), p.492 - 495, 2024/10
LINACs is a simulation framework for designing optics and beam dynamics of charged particles in particle accelerators. LINACs is an open-source software that enables the user complete control over all design and simulation parameters of RFQs. This includes beam-driven design, fully 3D simulation using precise quadrupolar symmetry, and rigorous Poisson solution for external and space charge fields. The code can handle simultaneous particle beams with analytical input distributions and allows input beam scans. The software offers a relatively short running time and provides extensive analysis techniques. This work provides a historical overview of the code, presents results from RFQ models, and discusses future developments.
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transitionsYang, Q.*; Yang, X.*; Wang, Y.*; Fei, Y.*; Li, F.*; Zheng, H.*; Li, K.*; Han, Y.*; Hattori, Takanori; Zhu, P.*; et al.
Nature Communications (Internet), 15, p.7778_1 - 7778_9, 2024/09
Times Cited Count：44 Percentile：95.11(Multidisciplinary Sciences)Luminescent materials that simultaneously embody bright singlet and triplet excitons hold great potential in optoelectronics, signage, and information encryption. However, achieving high-performance white-light emission is severely hampered by their inherent unbalanced contribution of fluorescence and phosphorescence. Herein, we address this challenge by pressure treatment engineering via hydrogen bonding cooperativity effect to realize the mixture of n-- transitions, where the triplet state emission was boosted from 7% to 40% in isophthalic acid (IPA). A superior white-light emission based on hybrid fluorescence and phosphorescence was harvested in pressure-treated IPA, and the photoluminescence quantum yield was increased to 75% from the initial 19% (blue-light emission). In-situ high-pressure IR spectra, X ray diffraction, and neutron diffraction reveal continuous strengthening of the hydrogen bonds with the increase of pressure. Furthermore, this enhanced hydrogen bond is retained down to the ambient conditions after pressure treatment, awarding the targeted IPA efficient intersystem crossing for balanced singlet/triplet excitons population and resulting in efficient white-light emission. This work not only proposes a route for brightening triplet states in organic small molecule, but also regulates the ratio of singlet and triplet excitons to construct high-performance white-light emission.
Zhu, L.*; He, H.*; Naeem, M.*; Sun, X.*; Qi, J.*; Liu, P.*; Harjo, S.; Nakajima, Kenji; Li, B.*; Wang, X.-L.*
Physical Review Letters, 133(12), p.126701_1 - 126701_6, 2024/09
Times Cited Count：11 Percentile：80.20(Physics, Multidisciplinary)
Se from combined conversion-electron and 
-ray spectroscopySmallcombe, J.; Garnsworthy, A. B.*; Korten, W.*; Singh, P.*; Muir, D.*; Pr
chniak, L.*; Ali, F. A.*; Andreoiu, C.*; Ansari, S.*; Ball, G. C.*; et al.
Physical Review C, 110(2), p.024318_1 - 024318_16, 2024/08
Times Cited Count：2 Percentile：42.78(Physics, Nuclear)Li, P. J.*; Utsuno, Yutaka; Yoshida, Kazuki; 85 of others*
Physics Letters B, 855, p.138828_1 - 138828_11, 2024/08
Times Cited Count：5 Percentile：73.54(Astronomy & Astrophysics)Zhou, L.*; Zhang, H.*; Qin, T. Y.*; Hu, F. F.*; Xu, P. G.; Ao, N.*; Su, Y. H.; He, L. H.*; Li, X. H.*; Zhang, J. R.*; et al.
Metallurgical and Materials Transactions A, 55(7), p.2175 - 2185, 2024/07
Times Cited Count：4 Percentile：40.84(Materials Science, Multidisciplinary)Li, S.; Li, Y.; Lu, K.*; Lacroix, V.*; Dulieu, P.*
Proceedings of the ASME 2024 Pressure Vessels & Piping Conference (PVP 2024) (Internet), 18 Pages, 2024/07
-MgAgSbLi, J.*; Li, X.*; Zhang, Y.*; Zhu, J.*; Zhao, E.*; Kofu, Maiko; Nakajima, Kenji; Avdeev, M.*; Liu, P.-F.*; Sui, J.*; et al.
Applied Physics Reviews (Internet), 11(1), p.011406_1 - 011406_8, 2024/03
Times Cited Count：18 Percentile：87.02(Physics, Applied)