Results 301 to 310 of about 382,328 (344)

Discovery of a new zinc oxide semiconductor: 21R polytype. [PDF]

Struct Dyn
Fonović M, Zagorac J, Čebela M, Jordanov D, Zagorac D.   +4 more
europepmc   +1 more source

Unraveling Non‐Cubic Atomic Ordering in Surfactant‐Free AuAg Decahedral Nanoparticles by Pair Distribution Function (PDF) Analysis

Particle &Particle Systems Characterization, EarlyView.
The atomic arrangement of few‐nm‐wide surfactant‐free noble metal (AuAg) decahedral nanoparticles is characterized using a structural refinement based on Pair Distribution Function (PDF) derived from Precession Electron Diffraction (PED). The results indicate that the measured structure is not well described by the classical Bagley body‐centered ...
Leonardo M. Corrêa, Murilo Moreira, Varlei Rodrigues, Daniel Ugarte   +3 more
wiley   +1 more source

Computation of X-ray and Neutron Scattering Patterns to Benchmark Atomistic Simulations against Experiments. [PDF]

Int J Mol Sci
Majumdar A, Müller M, Busch S.
europepmc   +1 more source

Second‐ and Third‐Order Elastic Constants of Inert and Energetic Molecular Crystals From Density Functional Theory

Propellants, Explosives, Pyrotechnics, EarlyView.
ABSTRACT Complete tensors of the second‐ and third‐order elastic constants of the organic molecular crystals acetaminophen, pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX), cyclotetramethylene tetranitramine (HMX), 1,1‐diamino‐2,2‐dinitroethylene (FOX‐7), hexanitrohexaazaisowurtzitane (CL‐20), and erythritol tetranitrate (ETN)
M. J. Cawkwell, Milovan Zecevic
wiley   +1 more source

Nuclear Physics in the Era of Quantum Computing and Quantum Machine Learning

Advanced Quantum Technologies, EarlyView.
The use of QML in the realm of nuclear physics at low energy is almost nonexistent. Three examples of the use of quantum computing and quantum machine in nuclear physics are presented: the determination of the phase/shape in nuclear models, the calculation of the ground state energy, and the identification of particles in nuclear physics experiments ...
José‐Enrique García‐Ramos, Álvaro Sáiz, José M. Arias, Lucas Lamata, Pedro Pérez‐Fernández   +4 more
wiley   +1 more source

Exploring multiphase conversion pathways in Li-S batteries through cryo-TEM and ML-assisted operando neutron scattering

von Mentlen J, Güngör AS, Demuth T, Belz J, Plodinec M, Dutta P, Vižintin A, Porcar L, Volz K, Wood V, Prehal C.   +10 more
europepmc   +1 more source

High Ionic Conduction in Rb‐ and Cs‐Mixed Cation Amide for Energy Storage

Small, EarlyView.
A mixed cation‐amide solid solution, Rb0.5Cs0.5NH2, based on the interaction between RbNH2‐ and CsNH2, has been developed. The Rb⁺/Cs⁺ cationic substitution leads to structural stabilization, resulting in high ionic conductivity in the Rb0.5Cs0.5NH2 compared to the single compounds.
Thi Thu Le, Kai Sellschopp, Fabrizio Murgia, Anna Louise Garden, Simone Bordignon, Jan Peter Embs, Michele Remo Chierotti, Alexander Schökel, Fahim Karimi, Paul Jerabek, Thomas Klassen, Claudio Pistidda   +11 more
wiley   +1 more source

Magnetic Elastic Scattering of Neutrons

hamon, 2003
openaire   +4 more sources

Metal–Organic Frameworks Meet Two‐Dimensional Materials in Polymer Matrices for Flame Retardant and Sensor Applications

Small Science, EarlyView.
Herein, strategies are examined for integrating metal–organic frameworks with two‐dimensional materials to enhance polymer flame retardancy and sensing properties, assessing their potential applications and outlining the opportunities and challenges of such integration in functional composites.
Xue Bi, Yanan Hou, Ye‐Tang Pan, Siqi Huo, Congling Shi, Jiyu He, Rongjie Yang   +6 more
wiley   +1 more source

4-Methoxypicolinic Acid N-Oxide: One of the Shortest Hydrogen Bonds Known Characterized by Neutron Diffraction, Inelastic Neutron Scattering, Infrared Spectroscopy, and Periodic DFT Calculations. [PDF]

ACS Omega
Stare J, Grdadolnik J, Mason S, Albinati A, Eckert J.   +4 more
europepmc   +1 more source