Results 91 to 100 of about 1,610,034 (354)

Nuclear forces and ab initio calculations of atomic nuclei

, 2014
Nuclear forces and the nuclear many-body problem have been some of Gerry Brown's main topics in his so productive life as a theoretical physicist. In this talk, I outline how Gerry's work laid the foundations of the modern theory of nuclear forces and ab
Meissner, Ulf-G., Ulf-G. Meißner
core   +1 more source

Artificial Intelligence Meets Micro/Nanorobotics

Advanced Materials, EarlyView.
Artificial intelligence is transforming micro‐ and nanorobots from externally controlled, task‐specific machines into adaptive, autonomous systems. Machine learning, multimodal perception, digital twins, AI‐guided materials and geometry design enhance propulsion, localization, decision‐making, whichaccelerates clinical and environmental applications ...
Fatma M. Yurtsever, Minitha Cherukutty Ramakrishnan, Ian Kuula Ross, Ivan Zelinka, Hamed Shahsavan, Michal Otyepka, Martin Pumera   +6 more
wiley   +1 more source

Shear stiffness in nanolaminar Ti3SiC2 challenges ab initio calculations

, 2010
Nanolaminates such as the Mn + 1AXn (MAX) phases are a material class with ab initio derived elasticity tensors published for over 250 compounds. We have for the first time experimentally determined the full elasticity tensor of the archetype MAX phase ...
Kirstein, O, Styles, MJ, Paradowska AM, Styles MJ, Riley DP, Paradowska, AM, Kisi, EH, Zhang JF, Zhang, JF, Riley, DP, Kisi EH, Kirstein O   +11 more
core   +1 more source

Directing Near‐Perfect (001) Orientation in Wafer‐Scale BiOI Thin Films via Halide‐Mediated van der Waals Stacking

Advanced Materials, EarlyView.
Our work introduces a new framework that fundamentally changes how orientation in bismuth oxyhalide systems is approached. Comprehensive experiments, backed by theoretical models, reveal the pivotal role of halide anions to modify the van der Waals stacking energies required to direct orientation. Our method enables the fabrication of near perfect (001)
Gabriel Aygur, Ashakiran Maibam, Hayden Tuohey, Tony Nguyen, Mei Xian Low, Sumeet Walia, Zijun (June) Yong, Ravichandar Babarao, Daniel Gomez, Enrico Della Gaspera, Joel van Embden   +10 more
wiley   +1 more source

Electrolyte Engineering Challenges and Opportunities for Next‐Generation Aqueous Ammonium‐Ion Batteries

Advanced Materials, EarlyView.
Aqueous ammonium‐ion batteries (AAIBs) face a hydrogen‐bond paradox: the HB network enables fast NH4+ transport but triggers water decomposition. This review dissects this dilemma, evaluates multiple electrolyte engineering strategies, and outlines four future directions for next‐generation AAIB design ABSTRACT Aqueous ammonium‐ion batteries (AAIBs ...
Zi‐Hang Huang, Xiaoyu Liu, Shuai Mao, Lingfeng Zhu, Zhijun Wu, Hongge Pan, Tianyi Ma   +6 more
wiley   +1 more source

Ab initio calculations on the thermodynamic properties of azaborospiropentanes

Journal of Molecular Modeling, 2008
Following our recent studies of the thermodynamic properties of azaspiropentane and borospiropentane, in consideration of their usefulness as new potential high energy materials, we follow up with ab initio calculations on the thermodynamic properties of azaborospiropentanes.
Ryan M, Richard, David W, Ball
openaire   +3 more sources

Review on DFT and ab initio Calculations of Scalar Coupling Constants

, 2003
The present review summarizes the information available on the ab initio calculations of spin-spin nuclear coupling constants through hydrogen bonds or in van der Waals complexes.
José Elguero, Ibon Alkorta
core   +1 more source

Ab initio calculations of light ion reactions [PDF]

, 2012
The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics.
Roth, Robert, Quaglioni, S, Roth, R, Horiuchi, W, Navrátil, Petr, Quaglioni, Sofia, Baroni, Simone, Horiuchi, Wataru, Baroni, S, Navrátil, P   +9 more
core   +1 more source

Lattice Strain and Built‐In Field Synergistically Boost Urea Oxidation via Dynamic NiOOH Mediation at Multiphase Heterointerfaces

Advanced Materials, EarlyView.
A sulfur‐doped lignin‐derived carbon‐coated Ni‐NiO‐MoO2 nanorod array was synthesized, exhibiting enhanced UOR performance ‐ due to lattice‐strain and built‐in electric field effects by multiphase heterogeneous interface in Ni‐NiO‐MoO2@SC, excellent corrosion resistance, mass‐transport ability, and long‐term stability (500 mA cm−2 at 1.53 V for 500 h ...
Jiawei Li, Liancen Li, Guangfu Qian, Zishan Cai, Yiping Cao, Yihao Xu, Ruyu Zhang, Jinli Chen, Changzhou Chen, Panagiotis Tsiakaras   +9 more
wiley   +1 more source

STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING HIGH LEVEL AB INITIO METHOD

Indonesian Journal of Chemistry, 2010
Ab initio calculations have been performed in order to investigate the conformational characteristics of p-(nitro)methoxycalix[4]arene and p-(tert-butyl)methoxycalix[4]arene.
Hanggara Sudrajat, Danis Sriwijaya, Herman Siagian, Ria Armunanto   +3 more
doaj   +1 more source