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ionic liquidsEmerson, M. S.*; Fetherolf, J.*; Wu, B.*; Ramati, S.*; Mukhlall, J.*; Fernandez, E. D.*; Gohdo, Masao; Lall-Ramnarine, S. I.*; Castner, E. W. Jr. *; Wishart, J. F.*
Journal of Ionic Liquids (Internet), 6(1), p.100209_1 - 100209_13, 2026/06
Cd
Hirose, Yusuke; Honda, Fuminori*; Doto, Hiroshi*; Kawamura, Naomi*; Kvashnina, K. O.*; Amidani, L.*; Uhl
ov
, K.*; Koloren
, J.*; Havela, L.*
Physical Review B, 113(24), p.L241103_1 - L241103_6, 2026/06
Times Cited Count：1 Percentile：82.33(Materials Science, Multidisciplinary)Glazyrin, K.*; Spektor, K.*; Bykov, M.*; Carvalho, P. H. B.*; Dong, W.*; K
rmann, F.*; Sano, Asami; Hattori, Takanori; Beyer, D. C.*; Sahlberg, M.*; et al.
Nature Communications (Internet), 17, p.2622_1 - 2622_10, 2026/03
Times Cited Count：2 Percentile：79.70(Multidisciplinary Sciences)Studies of high entropy materials contribute to various fields of science and reveal ever more exciting properties of applied interest. Here, we perform a study of the resistance of a Cantor alloy (CoCrFeNiMn) to hydrogen through high-pressure experiments at elevated temperatures by X-ray and neutron time-of-flight experiments and ab initio calculations. We report formation of an fcc hydride based on the Cantor alloy composition. We also provide its characterization, including an estimate of hydrogen content. These findings contribute to the growing body of knowledge on the complex chemistry of high-entropy alloys and high-entropy-hydrides.
-decay strength of 
VDahl, J. K.*; Larsen, A. C.*; Shimizu, Noritaka*; Utsuno, Yutaka
Physical Review C, 113(2), p.024328_1 - 024328_16, 2026/02
Times Cited Count：1 Percentile：85.68(Physics, Nuclear)no abstracts in English
Makarov, S. S.*; Zhakhovsky, V. V.*; Grigoryev, S. Yu.*; Chuprov, P.*; Pikuz, T. A.*; Inogamov, N. A.*; Khokhlov, V. A.*; Petrov, Y. V.*; Perov, E. A.*; Shepelev, V.*; et al.
Nature Communications (Internet), 16, p.11504_1 - 11504_13, 2025/12
Times Cited Count：1 Percentile：0.00(Multidisciplinary Sciences)Shiga, Motoyuki; Elsner, J.*; Behler, J.*; Thomsen, B.
Journal of Chemical Physics, 163(13), p.134119_1 - 134119_13, 2025/10
Times Cited Count：3 Percentile：72.83(Chemistry, Physical)Water possesses unique properties such as a high heat capacity, playing a crucial role in biological and climatic processes. To understand the microscopic origin of its heat capacity from first principles, highly accurate path integral molecular dynamics (PIMD) simulations that include nuclear quantum effects are required; however, such simulations are computationally demanding. In this study, we address this challenge by employing high-dimensional neural network potentials (HDNNPs) constructed from density functional theory (DFT) calculations. Additionally, we introduce an efficient PIMD algorithm that improves computational performance. Using this approach, we successfully obtain converged data for the heat capacity. In particular, results based on the revPBE0-D3 functional show excellent agreement with experimental data, demonstrating that this method is effective for the quantitative understanding of the thermodynamic properties of water.
Birkholzer, J. T.*; Graupner, B. J.*; Harrington, J.*; Jayne, R.*; Kolditz, O.*; Kuhlman, K. L.*; LaForce, T.*; Leone, R. C.*; Mariner, P. E.*; McDermott, C.*; et al.
Geomechanics for Energy and the Environment, 42, p.100685_1 - 100685_17, 2025/06
Times Cited Count：7 Percentile：87.84(Energy & Fuels)
hydridosilicate at high pressures; A Bridge to BaSiH
polyhydrideBeyer, D. C.*; Spektor, K.*; Vekilova, O. Y.*; Grins, J.*; Barros Brant Carvalho, P. H.*; Leinbach, L. J.*; Sannemo-Targama, M.*; Bhat, S.*; Baran, V.*; Etter, M.*; et al.
ACS Omega (Internet), 10(15), p.15029 - 15035, 2025/04
Times Cited Count：3 Percentile：56.47(Chemistry, Multidisciplinary)Hydridosilicates featuring SiH octahedral moieties represent a rather new class of compounds with potential properties relating to hydrogen storage and hydride ion conductivity. Here, we report on the new representative BaSiH obtained from reacting the Zintl phase hydride BaSiH
with H
fluid at pressures above 4 GPa and subsequent decompression to ambient pressure. It consists of complex SiH
ions, which are octahedrally coordinated by Ba
counterions. The arrangement of Ba and Si atoms deviates only slightly from an ideal fcc NaCl structure. IR and Raman spectroscopy showed SiH bending and stretching modes in the ranges 800-1200 and 1400-1800 cm
, respectively. BaSiH is thermally stable up to 95
C above which decomposition into BaH and Si takes place. DFT calculations indicated a direct band gap of 2.5 eV. The discovery of BaSiH consolidates the compound class of hydridosilicates, accessible from hydrogenations of silicides at gigapascal pressures (
10 GPa). The structural properties of BaSiH suggest that it presents an intermediate (or precursor) for further hydrogenation at considerably higher pressures to the predicted superconducting polyhydride BaSiH.
Kim, J.*; Thompson, B. R.*; Tominaga, Taiki*; Osawa, Takahito; Egami, Takeshi*; Frster, S.*; Ohl, M.*; Senses, E.*; Faraone, A.*; Wagner, N. J.*
ACS Macro Letters (Internet), 13(6), p.720 - 725, 2024/06
Times Cited Count：5 Percentile：30.57(Polymer Science)The Rouse dynamics of polymer chains in model nanocomposite PolyEthylene Oxide (PEO)/Silica NanoParticles (NPs) was investigated using QuasiElastic Neutron Scattering (QENS). The apparent Rouse rate of the polymer chains decreases as the particle loading increases. However, there is no evidence of an immobile segment population on the probed time scale of tens of ps. The slowing down of the dynamics is interpreted in terms of modified Rouse models for the chains in the NP inter-phase region. Thus, two chain populations, one bulk like and the other characterized by a suppression of Rouse modes, are identified. The spatial extent of the interphase region is estimated to be about twice the adsorbed layer thickness, or about 2 nm. These findings provide a detailed description of the suppression of the chain dynamics on the surface of NPs. These results are relevant insights on surface effects and confinement and provide a foundation for the understanding of the rheological properties of Polymer NanoComposites (PNCs) with well-dispersed NPs.
Dronskowski, R.*; Br
ckel, T.*; Kohlmann, H.*; Avdeev, M.*; Houben, A.*; Meven, M.*; Hofmann, M.*; Kamiyama, Takashi*; Zobel, M.*; Schweika, W.*; et al.
Zeitschrift fr Kristallographie; Crystalline Materials, 239(5-6), p.139 - 166, 2024/06
Because of the neutron's special properties, neutron diffraction may be considered one of the most powerful techniques for structure determination of crystalline and related matter. Neutrons can be released from nuclear fission, from spallation processes, and also from low-energy nuclear reactions, and they can then be used in powder, time-of-flight, texture, single crystal, and other techniques, all of which are perfectly suited to clarify crystal and magnetic structures. With high neutron flux and sufficient brilliance, neutron diffraction also excels for diffuse scattering, for in situ and operando studies as well as for high-pressure experiments of today's materials. In this primer, we summarize the current state of neutron diffraction (and how it came to be), but also look at recent advances and new ideas, e.g., the design of new instruments, and what follows from that.
Linh, B. D.*; Corsi, A.*; Gillibert, A.*; Obertelli, A.*; Doornenbal, P.*; Barbieri, C.*; Duguet, T.*; G
mez-Ramos, M.*; Holt, J. D.*; Hu, B. S.*; et al.
Physical Review C, 109(3), p.034312_1 - 034312_15, 2024/03
Times Cited Count：6 Percentile：78.06(Physics, Nuclear)no abstracts in English
Be ground-state molecular structure using Be(
)
He triple differential reaction cross-section measurementsLi, P. J.*; Beaumel, D.*; Lee, J.*; Assi
, M.*; Chen, S.*; Franchoo, S.*; Gibelin, J.*; Hammache, F.*; Harada, T.*; Kanada-En'yo, Yoshiko*; et al.
Physical Review Letters, 131(21), p.212501_1 - 212501_7, 2023/11
Times Cited Count：38 Percentile：94.77(Physics, Multidisciplinary)The cluster structure of the neutron-rich isotope Be has been probed via the () reaction. The triple differential cross-section was extracted and compared to distorted-wave impulse approximation reaction calculations performed in a microscopic framework using the Tohsaki-Horiuchi-Schuck-Rpke wave function and the wave function deduced from Antisymmetrized Molecular Dynamics calculations. The remarkable agreement between calculated and measured cross-sections in both shape and magnitude validates the description of the Be ground-state as a rather compact nuclear molecule.
Esser, S. P.*; Rahlff, J.*; Zhao, W.*; Predl, M.*; Plewka, J.*; Sures, K.*; Wimmer, F.*; Lee, J.*; Adam, P. S.*; McGonigle, J.*; et al.
Nature Microbiology (Internet), 8(9), p.1619 - 1633, 2023/09
Times Cited Count：15 Percentile：80.32(Microbiology)
OKondo, Yosuke*; Achouri, N. L.*; Al Falou, H.*; Atar, L.*; Aumann, T.*; Baba, Hidetada*; Boretzky, K.*; Caesar, C.*; Calvet, D.*; Chae, H.*; et al.
Nature, 620(7976), p.965 - 970, 2023/08
Times Cited Count：55 Percentile：95.68(Multidisciplinary Sciences)no abstracts in English
Ne at the transition into the island of inversion; Detailed structure study of NeWang, H.*; Yasuda, Masahiro*; Kondo, Yosuke*; Nakamura, Takashi*; Tostevin, J. A.*; Ogata, Kazuyuki*; Otsuka, Takaharu*; Poves, A.*; Shimizu, Noritaka*; Yoshida, Kazuki; et al.
Physics Letters B, 843, p.138038_1 - 138038_9, 2023/08
Times Cited Count：8 Percentile：73.64(Astronomy & Astrophysics)Detailed -ray spectroscopy of the exotic neon isotope Ne has been performed using the one-neutron removal reaction from Ne. Based on an analysis of parallel momentum distributions, a level scheme with spin-parity assignments has been constructed for Ne and the negative-parity states are identified for the first time. The measured partial cross sections and momentum distributions reveal a significant intruder p-wave strength providing evidence of the breakdown of the N = 20 and N = 28 shell gaps. Only a weak, possible f-wave strength was observed to bound final states. Large-scale shell-model calculations with different effective interactions do not reproduce the large p-wave and small f-wave strength observed experimentally, indicating an ongoing challenge for a complete theoretical description of the transition into the island of inversion along the Ne isotopic chain.
Ca cast doubt on a doubly magic 
CaChen, S.*; Browne, F.*; Doornenbal, P.*; Lee, J.*; Obertelli, A.*; Tsunoda, Yusuke*; Otsuka, Takaharu*; Chazono, Yoshiki*; Hagen, G.*; Holt, J. D.*; et al.
Physics Letters B, 843, p.138025_1 - 138025_7, 2023/08
Times Cited Count：21 Percentile：93.22(Astronomy & Astrophysics)Gamma decays were observed in 
Ca and 
Ca following quasi-free one-proton knockout reactions from 
Sc. For Ca, a ray transition was measured to be 1456(12) keV, while for Ca an indication for a transition was observed at 1115(34) keV. Both transitions were tentatively assigned as the 
decays. A shell-model calculation in a wide model space with a marginally modified effective nucleon-nucleon interaction depicts excellent agreement with experiment for 
level energies, two-neutron separation energies, and reaction cross sections, corroborating the formation of a new nuclear shell above the N = 34 shell. Its constituents, the 
and 
orbitals, are almost degenerate. This degeneracy precludes the possibility for a doubly magic Ca and potentially drives the dripline of Ca isotopes to 
Ca or even beyond.
Bersweiler, M.*; Sato, Hirokazu*; Adachi, Nozomu*; Todaka, Yoshikazu*; Peral, I.*; Kohlbrecher, J.*; Zaporozhets, V. D.*; Metlov, K. L.*; Michels, A.*; Oba, Yojiro
IUCrJ, 10(4), p.411 - 419, 2023/07
Times Cited Count：2 Percentile：27.43(Chemistry, Multidisciplinary)Meer, H.*; Wust, S.*; Schmitt, C.*; Herrgen, P.*; Fuhrmann, F.*; Hirtle, S.*; Bednarz, B.*; Rajan, A.*; Ramos, R.*; Ni
o, M. A.*; et al.
Advanced Functional Materials, 33(21), p.2213536_1 - 2213536_6, 2023/05
Times Cited Count：9 Percentile：48.68(Chemistry, Multidisciplinary)
100 MeV/nucleonPohl, T.*; Sun, Y. L.*; Obertelli, A.*; Lee, J.*; Gmez-Ramos, M.*; Ogata, Kazuyuki*; Yoshida, Kazuki; Cai, B. S.*; Yuan, C. X.*; Brown, B. A.*; et al.
Physical Review Letters, 130(17), p.172501_1 - 172501_8, 2023/04
Times Cited Count：19 Percentile：86.92(Physics, Multidisciplinary)We report on the first proton-induced single proton- and neutron-removal reactions from the neutron deficient 
O nucleus with large Fermi-surface asymmetry at 100 MeV/nucleon. Our results provide the first quantitative contributions of multiple reaction mechanisms including the quasifree knockout, inelastic scattering, and nucleon transfer processes. It is shown that the inelastic scattering and nucleon transfer, usually neglected at such energy regime, contribute about 50% and 30% to the loosely bound proton and deeply bound neutron removal, respectively.
island of inversion; First study of low-lying bound excited states in 
V and 
VElekes, Z.*; Juhsz, M. M.*; Sohler, D.*; Sieja, K.*; Yoshida, Kazuki; Ogata, Kazuyuki*; Doornenbal, P.*; Obertelli, A.*; Achouri, N. L.*; Baba, Hidetada*; et al.
Physical Review C, 106(6), p.064321_1 - 064321_10, 2022/12
Times Cited Count：6 Percentile：49.20(Physics, Nuclear)The low-lying level structure of V and V was investigated for the first time. The neutron knockout reaction and inelastic proton scattering were applied for V while the neutron knock-out reaction provided the data for V. Four and five new transitions were determined for V and V, respectively. Based on the comparison to our shell-model calculations using the Lenzi-Nowacki-Poves-Sieja (LNPS) interaction, three of the observed rays for each isotope could be placed in the level scheme and assigned to the decay of the first 11/2
and 9/2 levels. The (
,
) excitation cross sections for V were analyzed by the coupled-channels formalism assuming quadrupole plus hexadecapole deformations. Due to the role of the hexadecapole deformation, V could not be unambiguously placed on the island of inversion.
