Results 91 to 100 of about 205,731 (294)

High Pressure Densification Investigation of Li3PS4 and Li6PS5Cl Solid Electrolytes using Combine X‐Ray Diffraction, X‐Ray Absorption Tomography and Ionic Measurement

Advanced Functional Materials, EarlyView.
We used multiple analytical techniques at the Psiché beamline, Synchrotron Soleil, and at D20 instrument in Institut Laue Langevin, to study the densification of thiophosphate solid electrolytes Li3PS4 and Li6PS5Cl. Our combined X‐ray diffraction, absorption tomography, absorption density, neutron power diffraction, and ionic conductivity analyses ...
Oskar Thompson, Ove Korjus, Adrien Fauchier‐Magnan, Clément Albin, Sergio F. Mayer, Emmanuelle Suard, Thomas Hansen, Laura Henry, Nicolas Guignot, Vittoria Pischedda, Sylvie Le Floch, Claire Villevieille   +11 more
wiley   +1 more source

High-speed and low-power molecular dynamics processing unit (MDPU) with ab initio accuracy

npj Computational Materials
Molecular dynamics (MD) is an indispensable atomistic-scale computational tool widely-used in various disciplines. In the past decades, nearly all ab initio MD and machine-learning MD have been based on the general-purpose central/graphics processing ...
Pinghui Mo, Yujia Zhang, Zhuoying Zhao, Hanhan Sun, Junhua Li, Dawei Guan, Xi Ding, Xin Zhang, Bo Chen, Mengchao Shi, Duo Zhang, Denghui Lu, Yinan Wang, Jianxing Huang, Fei Liu, Xinyu Li, Mohan Chen, Jun Cheng, Bin Liang, Weinan E, Jiayu Dai, Linfeng Zhang, Han Wang, Jie Liu   +23 more
doaj   +1 more source

Soft and Isotropic Phonons in PrFeAsO_{1-y}

, 2011
Phonons in single crystals of PrFeAsO_{1-y} are investigated using high-resolution inelastic x-ray scattering and ab initio pseudopotential calculations. Extensive measurements of several samples at temperatures spanning the magnetic ordering temperature
Arai, M., Baron, A. Q. R., Eisaki, H., Fukuda, T., Ishikado, M., Iyo, A., Kito, H., Machida, M., Mizuki, J., Nakamura, H., Shamoto, S., Uchiyama, H.   +11 more
core   +1 more source

Unlocking Multi‐Valley Energy Pockets and Interface‐Induced Phonon Filtering in InSb Thermoelectrics by Reaction‐Driven Interface Engineering

Advanced Functional Materials, EarlyView.
InSb, a narrow‐bandgap semiconductor with high carrier mobility, is promising for thermoelectric energy conversion but suffers from high lattice thermal conductivity and strong bipolar conduction. Here, in situ interface engineering using Co2O3 nanoprecursors forms hierarchical CoSbx/In2O3/CoSb3 heterostructures that enhance phonon scattering and ...
Jiwu Xin, Xiao Yang, Xiao‐Lei Shi, Chengyun Xu, Xi Ling, Pengyu Zhang, Jinfeng Dong, Yong Du, Haisheng Chen, Ting Zhang, Zhi‐Gang Chen   +10 more
wiley   +1 more source

Neutron skin and signature of the N = 14 shell gap found from measured proton radii of 17−22N

Physics Letters B, 2019
A thick neutron skin emerges from the first determination of root mean square radii of the proton distributions for 17−22N from charge changing cross section measurements around 900A MeV at GSI. Neutron halo effects are signalled for 22N from an increase
S. Bagchi, R. Kanungo, W. Horiuchi, G. Hagen, T.D. Morris, S.R. Stroberg, T. Suzuki, F. Ameil, J. Atkinson, Y. Ayyad, D. Cortina-Gil, I. Dillmann, A. Estradé, A. Evdokimov, F. Farinon, H. Geissel, G. Guastalla, R. Janik, S. Kaur, R. Knöbel, J. Kurcewicz, Yu.A. Litvinov, M. Marta, M. Mostazo, I. Mukha, C. Nociforo, H.J. Ong, S. Pietri, A. Prochazka, C. Scheidenberger, B. Sitar, P. Strmen, M. Takechi, J. Tanaka, Y. Tanaka, I. Tanihata, S. Terashima, J. Vargas, H. Weick, J.S. Winfield   +39 more
doaj   +1 more source

Polymer Interface Enables Reversible Quasi‐Solid Sulfur Conversion in Sodium‐Sulfur Batteries

Advanced Functional Materials, EarlyView.
The polymer interface enables a stable quasi‐solid sulfur conversion pathway in room‐temperature Na─S batteries. The coating regulates Na+ transport, stabilizes the cathode–electrolyte interphase, and accommodates mechanical stress, suppressing electrolyte decomposition and sulfur migration, thereby improving reaction uniformity, reducing polarization,
Reza Andaveh, Ying Zhao, Enzhong Jin, Zixin Zhang, Vinicius Martins, Parham Pirayesh, Yi Gan, Yi Yuan, Yijia Wang, Frederick Benjamin Holness, Changhong Cao, Jun Song, Yang Zhao   +12 more
wiley   +1 more source

Conformational Stability of 3-aminopropionitrile: DFT and Ab initio Calculations

Acta Chimica Slovenica
Many conformers of 3-aminopropionitrile are known. Due to the biomedical importance of 3-aminopropionitrile a full investigation of structural, vibrational, and other associated properties of all possible conformers was performed.
Ashraf Al Msiedeen
doaj   +1 more source

First-principles equation of state and phase stability for the Ni-Al system under high pressures

, 2012
The equation of state (EOS) of alloys at high pressures is generalized with the cluster expansion method. It is shown that this provides a more accurate description.
A. G. Schlijper, A. J. Freeman, C. Berne, C. Kittel, F. Jing, F. R. de Boer, G. Cacciamani, G. Ceder, G. Simmons, H. Hultgren, H. Y. Geng, J. A. Barker, J. P. Perdew, J. P. Poirier, M. A. Meyers, M. H. F. Sluiter, M. J. Mehl, M. Sluiter, N. X. Chen, R. E. Watson, S. Eliezer, T. Mohri, W. B. Pearson, W. Huang, W. Oelsen, X. Xu   +25 more
core   +1 more source

Opinion: Gavage Administration of MXene as a Route‐Specific Alternative to Intravenous Injection into the Bloodstream of Laboratory Animals for Reducing Systemic Nanotoxicity Risks in Immunosuppression and Post‐Transplantation Models with Bile Acid Modification

Advanced Healthcare Materials, EarlyView.
Recent studies reported immunosuppressive properties of specific MXene nanomaterials. Their intravenous injection into the bloodstream of laboratory animals has been a common delivery method to suppress systemic inflammation and prevent transplant rejection.
Alireza Rafieerad, M. Akif Rahman, Ahmad Amiri   +2 more
wiley   +1 more source

Collective Modes in Light Nuclei from First Principles

, 2013
Results for ab initio no-core shell model calculations in a symmetry-adapted SU(3)-based coupling scheme demonstrate that collective modes in light nuclei emerge from first principles.
Caprio, M. A., Catalyurek, U., Draayer, J. P., Dytrych, T., Langr, D., Launey, K. D., Maris, P., Saule, E., Sosonkina, M., Vary, J. P.   +9 more
core   +1 more source