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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Transverse Enhancement, Longitudinal Quenching and Coulomb Sum Rule in e-$^{12}$C and e-$^{16}$O Scattering

We present a short summary of a phenomenological analysis of all available electron scattering data on 12 C 12 C (about 6600 differential cross section measurements) and on 16 O 16 O (about 250 measurements) within the framework of the quasielastic superscaling model (including Pauli blocking). All quasielastic and inelastic cross section measurements are included down to the lowest momentum transfer ? q (including photo-production data). We find that there is enhancement of the transverse quasielastic response function and quenching of the longitudinal response function at low ? q (in addition to Pauli blocking). We extract parameterizations of a ? ? ? ? ? ? ? ? ? ? ? ? ? ? multiplicative low ? q "Longitudinal Quenching Factor" and an ? ? ? ? ? ? ? ? additive "Transverse Enhancement" contribution. Additionally, we find that the excitation of nuclear states contribute significantly (up to 30\%) to the Coulomb Sum Rule. We extract the most accurate determination of the sum rule to date and find it to be in disagreement with random phase approximation based calculations but in reasonable agreement with recent theoretical calculations such as "First Principle Green's Function Monte Carlo".

Bodek, Arie↗
DOE OSTI2020

Polyhydrido Copper Nanoclusters with a Hollow Icosahedral Core: [Cu 30 H 18 {E 2 P(OR) 2 } 12 ] (E=S or Se; R= n Pr, i Pr or i Bu)

Although atomically precise polyhydrido copper nanoclusters are of prime interest for a variety of applications, they have so far remained scarce. Here, we describe the synthesis of a dithiophosphate-protected copper(I) hydride-rich nanocluster (NC), [Cu 30 H 18 {S 2 P(O n Pr) 2 } 12 ] ( 1 H ), fully characterized by various spectroscopic methods and single-crystal X-ray diffraction. The X-ray structure of 1 H reveals an unprecedented central Cu 12 hollow icosahedron. Six faces of this icosahedron are capped by Cu 3 triangles, the whole Cu 30 core being wrapped by twelve dithiophosphate ligands and the whole cluster has ideal S 6 symmetry. The locations of the 18 hydrides in 1 H were ascertained by a single-crystal neutron diffraction study. They are composed of three types: capping μ 3 -H, interstitial μ 4 -H (seesaw) and μ 5 -H ligands (square pyramidal), in good agreement with the DFT simulations. The numbers of hydrides and ligand resonances in the 1 H NMR spectrum of 1 H are in line with their coordination environment in the solid state, retaining the S 6 symmetry in solution. Furthermore, two new Se-protected polyhydrido copper nanoclusters, [Cu 30 H 18 {Se 2 P(OR) 2 } 12 ] ( 2 H : R= i Pr 3 H : R= i Bu) were synthesized from their sulfur relative 1 H via ligand displacement reaction and their X-ray structures feature the exceptional case where both the NC shape and size are fully conserved during the course of ligand exchange. DFT and TD-DFT calculations allow understanding the bonding and optical properties of clusters 1 H – 3 H . In addition, the reaction of 1 H with [Pd(PPh 3 ) 2 Cl 2 ] in the presence of terminal alkynes led to the formation of new bimetallic Cu–Pd alloy clusters [PdCu 14 H 2 {S 2 P(O n Pr) 2 } 6 (C≡CR) 6 ] ( 4 : R=Ph; 5 : R = C 6 H 4 F).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

PERCEPTIVE: an R shiny $\underline{p}$ipelin$\underline{e}$ for the p$\underline{r}$edi$\underline{c}$tion of $\underline{ep}$igenetic modula$\underline{t}$ors $\underline{i}$n no$\underline{v}$el sp$\underline{e}$cies

Epigenetic processes are central to regulating gene expression, genome stability, and metabolic function across the tree of life; yet, their roles remain underexplored in microalgae, especially as new species continue to be identified and characterized. This is likely due to the cumbersome nature and species-dependent attributes of epigenetic wet-lab methodologies, which preclude the rapid identification of epigenetic modifications and modulators. However, there is high conservation of epigenetic processes from budding yeast to humans; in many cases, one may infer how behavior and function are epigenetically regulated in novel species by identifying epigenetic modulators, or the proteins responsible for conferring epigenetic modifications. Here, to this end, we have developed a graphical software package, titled PERCEPTIVE (pipeline for the prediction of epigenetic modulators in novel species). This platform solely uses the genomic sequence of an algal species, and preexisting information from other model organisms, to predict the epigenetic modulators and associated modifications in algae. Predictions are presented to the user in a graphical interface, which provides literature-based interpretation of results, enabling users to quickly understand potential epigenetic processes in their algal species of interest and plan follow-up experiments. To test PERCEPTIVE, we predicted epigenetic modulators in several feedstock candidate algae species. To validate these predictions, wet-lab studies were performed, including mass spectrometry; these results underscore the high accuracy of PERCEPTIVE predictions. Overall, PERCEPTIVE represents a powerful in silico tool for the research and manipulation of algal species, which does not require a priori knowledge of epigenetics and is accessible to a broad set of investigators.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Phase-transition-induced thermal hysteresis in Type-II weyl semimetals M o T e 2 and M o 1 − x W x T e 2

The resistivity versus temperature measurement is commonly used for identifying temperature-induced phase-change and the resulting hysteresis loop. However, while the resistance is influenced by both the density of states and the carrier lifetimes, the Seebeck coefficient is influenced predominantly by the density of states, and hence is a better probe of the phase of the material. Here, 1T'-T d temperature-induced phase transition in MoTe 2 is studied using temperature-dependent X-ray diffraction, resistivity, and Seebeck coefficient measurements. A more distinct hysteresis is observed when measuring the Seebeck coefficient which is consistent with direct measurements of the crystallographic angle using the temperature-dependent X-ray diffraction. The Seebeck and electrical resistivity measurements indicate a competing contribution of the electrons and holes. The contribution of electron pockets becomes more dominant when molybdenum atoms are replaced by tungsten. In MoTe 2 , a topologically induced enhancement of the Nernst coefficient is observed at low temperatures and a relatively large phase-transition induced Thomson coefficient of 111 μV∙K -1 is measured at 254 K.

36 MATERIALS SCIENCE↗