A fast, accurate and oscillation-free spectral collocation solver for high-dimensional transport problems. [PDF]
Cavallini N +3 more
europepmc +1 more source
The Relation between Colloid Size and Nanoscale Water Transport Pathways in Waterborne Acrylic Coatings as Seen by Small-Angle Neutron Scattering. [PDF]
Biella R +6 more
europepmc +1 more source
In situ X‐ray diffraction is used for exploring Si crystallography and for studying phase‐transformation mechanisms in elemental Si and Na–Si systems. We present original results of hexagonal silicon, Si‐6H and a critical analysis of the past‐decade discoveries of silicon Si‐4H and Si24 using large‐volume high‐pressure techniques.Metastable allotropes ...
Alexandre Courac, Yann Le Godec
wiley +1 more source
Decoupling slab gliding and lattice contraction in Na layered oxides to enable high-voltage Na-ion batteries. [PDF]
Shi Q +19 more
europepmc +1 more source
Structural insights into urocanate reductase using room‐temperature X‐ray crystallography
The active‐site dynamics of the microbial enzyme urocanate reductase were revealed by room‐temperature X‐ray crystallography.Urocanate reductase (UrdA) is a bacterial enzyme that converts urocanic acid to imidazole propionate. Its catalytic residue Arg411 undergoes a large conformational change in the substrate‐bound versus product‐bound states.
Swati Aggarwal +4 more
wiley +1 more source
The nucleardatapy toolkit for simple access to experimental nuclear data, astrophysical observations, and theoretical predictions. [PDF]
Margueron J +12 more
europepmc +1 more source
Neutron Scattering Evidence for a Model of Dynamic Clustering in Molten Triacylglycerols
Number of molecules per cluster as a function of temperature. The error bars combine uncertainties from the data and from the fit to the peak functions. (A) from D5PPP; (B) from PPP. The dotted line indicates the model predictive interval and the dash‐dot line the observation prediction interval, both at 95% confidence.
E. Pulatsu +5 more
wiley +1 more source
Practical neutron detection modalities for industrial use available at a time-of-flight small-angle scattering instrument. [PDF]
Koizumi S, Mita K.
europepmc +1 more source
This work systematically compares classical molecular dynamics (MD) simulation approaches, including electrode models and electrolyte force‐field polarisability, for predicting the interfacial behaviour of ionic liquid (IL)‐based electrolytes in response to electrode polarisation. Molecular dynamics (MD) simulations are widely used to investigate ionic
Sreehari Batni Ravindranath +4 more
wiley +1 more source
Evaluating the Topological Features of Monomeric and Trimeric TRAF2-C: A Multi-Disciplinary Approach. [PDF]
Erba F +7 more
europepmc +1 more source

