Assessing and tackling the barocaloric fatigue for applicable solid-state refrigeration

Xue, J.*; Huang, D.*; Hattori, Takanori; Li, L.*; Feng, Y.*; Wang, H.*; Fan, X.*; Yao, J.*; Wang, Y.*; Liu, Z.*; et al.

Applied Physics Letters, 128(20), p.201903_1 - 201903_8, 2026/05

https://doi.org/10.1063/5.0333322

The cycling fatigue and barocaloric response of NHI is directly assessed under loading-unloading cycles with stress up to 100,MPa, with the adiabatic temperature change () decaying from 15,K to approximately 0.8,K after 100 cycles. X-ray diffraction, Raman spectroscopy, and neutron diffraction concertedly reveal the existence of the residual high-pressure phase even after the first unloading, whose fraction is rapidly increased to 90% at the 100th cycle. A phenomenological model is developed to elucidate this fatigue behavior, and an excellent agreement with experimental data has been achieved. To relieve the intergranular stress and enhance the mobility of grains, we encapsulate the composite of NHI particles and silicone oil into a 3D-printed polymer shell. Such an architectural tailoring has markedly improved the cyclic stability of the barocaloric effect with rising to c.a. 4.6,K after 100 cycles. Our results establish a fundamental understanding of the barocaloric fatigue behavior and pave a feasible route to applicable barocaloric cooling technology.

Intercomparison of low-energy electron transport calculations by different Monte Carlo track-structure simulation codes

Kyriakou, I.*; Papadopoulos, A.*; Polopetrakis, I.*; Kotroumbelou, C.*; Plante, I.*; Matsuya, Yusuke; Kai, Takeshi; Qiu, R.*; Li, J.*; Kundrt, P.*; et al.

Physics in Medicine & Biology, 71(8), p.085009_1 - 085009_25, 2026/04

https://doi.org/10.1088/1361-6560/ae5758

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.

Shape evolution in neutron-rich Rh isotopes; First measurement of negative-parity isomers in Rh

Zhang, J. Z.*; Chen, Z. Q.*; Qu, T.*; Wang, Y. K.*; Li, Z. H.*; Orlandi, R.; 62 of others*

Physics Letters B, 873, p.140144_1 - 140144_9, 2026/02

https://doi.org/10.1016/j.physletb.2025.140144

Fused-ring nanothread synthesized via high-pressure polymerization of naphthalene

Fei, Y.*; Wang, Y.*; Zhang, J.*; Liu, J.*; Zhao, Z.*; Hattori, Takanori; Abe, Jun*; Dong, X.*; Mao, H.-K.*; Zheng, H.*; et al.

Chemistry; A European Journal, p.e71096_1 - e71096_11, 2026/00

https://doi.org/10.1002/chem.71096

We systematically investigated the high-pressure polymerization of naphthalene, the simplest polycyclic aromatic hydrocarbons (PAHs), using multiple cutting-edge methods. Naphthalene molecules were stacked in herringbone style, and underwent [4+2] cycloaddition reactions along the a-b direction above 20 GPa, yielding one-dimensional Carbon nanothreads (CNThs). In contrast to the formation of many CNThs, the nucleation of the CNThs occurs during compression while their growth proceeds during decompression, which is likely prevalent among herringbone-stacked aromatics. The unit cell of the obtained CNTh crystal is determined and the possible structure of the CNTh product is also proposed. Our research reveals the polymerization characteristics of naphthalene under high pressure, highlighting the fact that the slip-angle plays an important role in governing the polymerization pathway.

Pressure-driven solid-state radical polymerization toward carbon nanothread

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

https://doi.org/10.1021/acs.nanolett.5c03977

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.

Ordered graphane nanoribbons synthesized via high-pressure diels-alder polymerization of 2,2'-bipyrazine

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

https://doi.org/10.1021/jacs.5c03116

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.

Analytic and Monte Carlo calculations of dose-mean lineal energy for 1 MeV-1 GeV protons with application to radiation protection quality factor

Papadopoulos, A.*; Kyriakou, I.*; Matsuya, Yusuke; Corts-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

https://doi.org/10.1007/s00411-025-01110-w

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.

Pressure-induced polymerization of 1,4-difluorobenzene towards fluorinated diamond nanothreads

Che, G.*; Fei, Y.*; Tang, X.*; Zhao, Z.*; Hattori, Takanori; Abe, Jun*; Wang, X.*; Ju, J.*; Dong, X.*; Wang, Y.*; et al.

Physical Chemistry Chemical Physics, 27(2), p.1112 - 1118, 2025/01

https://doi.org/10.1039/D4CP03751K

Pressure-induced polymerization (PIP) of aromatic molecules has emerged as an effective method for synthesizing various carbon-based materials. In this work, PIP of 1,4-difluorobenzene (1,4-DFB) was investigated. high-pressure investigations of 1,4-DFB reveal a phase transition at approximately 12.0 GPa and an irreversible chemical reaction at 18.7 GPa. Structural analysis of the product and the kinetics of the reaction uncovered the formation of pseudohexagonal stacked fluoro-diamond nanothreads with linear growth. Compared to the crystal structures of benzene under high pressure, 1,4-DFB exhibits higher compression along the [001] axis. The anisotropic compression is attributed to the stronger H interaction along the [01] axis and the potential compression-inhibiting HF interactions along the [100] and [010] axes, and it facilitates a possible reaction pathway along the [01] axis. This work emphasizes the crucial role of functionalization in modulating molecular stacking and influencing the reaction pathway.

Brightening triplet excitons enable high-performance white-light emission in organic small molecules via integrating n-- transitions

Yang, 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

https://doi.org/10.1038/s41467-024-52196-7

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.

Application of neutron characterization techniques to metallic structural materials

Wang, Y.*; Gong, W.; Su, Y. H.; Li, B.*

Acta Metallurgica Sinica, 60(8), p.1001 - 1016, 2024/08

https://doi.org/10.11900/0412.1961.2024.00063