Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “N”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Erratum: “Breaking covalent bonds in the context of the many-body expansion (MBE). I. The purported ‘first row anomaly’ in XH n (X = C, Si, Ge, Sn; n = 1–4)” [J. Chem. Phys. 156, 244303 (2022)]

We have noted typographical errors in TABLE V of J. Chem. Phys. 156, 244303 (2022). Specifically, the values of the angles φ HχH for the XH 2 species in both the ( 3 B 1 ) and ( 1 A 1 ) states were incorrectly reported as half of the correct values. Additionally, the values of the same angles for the XH 3 and XH 4 species were reported correctly.

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

Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF(1,n) and cCASSCF(2n-1,n) wavefunctions

In this work we derive and implement analytic nuclear gradients and derivative couplings for a constrained complete active space self-consistent field with a small active space designed to model electron or hole transfer. Using a Lagrangian formalism, we are able to differentiate both the CASSCF energy and the constraint (which is required for smooth surfaces over a wide range of parameter space), and the resulting efficient algorithm can be immediately applied to nonadiabatic dynamics simulations of charge transfer processes. Here, we run initial surface-hopping simulations of a proton coupled electron transfer event for a phenoxyl–phenol system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Recent progress in MnBi2 n Te3 n +1 intrinsic magnetic topological insulators: crystal growth, magnetism and chemical disorder

ABSTRACT The search for magnetic topological materials has been at the forefront of condensed matter research for their potential to host exotic states such as axion insulators, magnetic Weyl semimetals, Chern insulators, etc. To date, the MnBi2nTe3n+1 family is the only group of materials showcasing van der Waals-layered structures, intrinsic magnetism and non-trivial band topology without trivial bands at the Fermi level. The interplay between magnetism and band topology in this family has led to the proposal of various topological phenomena, including the quantum anomalous Hall effect, quantum spin Hall effect and quantum magnetoelectric effect. Among these, the quantum anomalous Hall effect has been experimentally observed at record-high temperatures, highlighting the unprecedented potential of this family of materials in fundamental science and technological innovation. In this paper, we provide a comprehensive review of the research progress in this intrinsic magnetic topological insulator family, with a focus on single-crystal growth, characterization of chemical disorder, manipulation of magnetism through chemical substitution and external pressure, and important questions that remain to be conclusively answered.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Differential two-particle number and momentum correlations with the AMPT, UrQMD, and EPOS models in Pb-Pb collisions at s N N = 2.76 TeV

We report studies of charge-independent and charge-dependent two-particle differential number correlation functions, R 2 (Δη,Δφ), and transverse momentum correlation functions, P 2 (Δη,Δφ), of charged particles produced in Pb–Pb collisions at the LHC center-of-mass energy √sNN= 2.76 TeV with the UrQMD, AMPT, and EPOS models. Model calculations for R2 and P2 correlation functions are presented for inclusive charged hadrons (h ± ) in selected transverse momentum ranges and with full azimuthal coverage in the pseudorapidity range |η|<1.0. We compare these calculations for the strength, shape, and particularly the width of the correlation functions with recent measurements of these observables by the ALICE collaboration. Our analysis indicates that comparative studies of R 2 and P 2 correlation functions provide valuable insight towards the understanding of particle production in Pb–Pb collisions. We find, in particular, that these models produce quantitatively different magnitudes and shapes for these correlation functions and none reproduce the results reported by the ALICE collaboration. Accounting for quantum number conservation in models, particularly charge conservation, is mandatory to reproduce the detailed measurements of number and transverse momentum correlation functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Probing the high-density nuclear symmetry energy with the Ξ – / Ξ 0 ratio in heavy-ion collisions at s N N ≈ 3 GeV

Recent beam energy scan experiments at the BNL Relativistic Heavy Ion Collider by the STAR Collaboration found that hadronic interactions dominate the collective flow and the proton cumulant ratios are driven by baryon number conservation in a region of high baryon density in √ s NN = 3 GeV Au + Au reactions, indicating that the dense medium formed in such collisions is likely hadronic matter. Within an updated a relativistic transport model with momentum dependent isoscalar and isovector single-nucleon mean-field potentials corresponding to different symmetry energies at suprasaturation densities, the n/p, π – /π + , $K$ $^{0}_{s}$/K + , Σ – /Σ + , and Ξ – /Ξ 0 ratios are studied for central Au + Au collisions at √ s NN = 3 GeV, where the maximum central density reaches about (3.6–4.0) ρ 0 . The doubly strange Ξ – /Ξ 0 ratio is found to have the strongest sensitivity to the variation of high-density nuclear symmetry energy. Furthermore, the Ξ – /Ξ 0 ratio in relativistic heavy-ion reactions at √ s NN~3 GeV may help probe sensitively the poorly known symmetry energy of dense neutron-rich matter critically important for understanding various properties of neutron stars.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Nuclear structure and elastic scattering observables obtained consistently with different N N interactions

Nucleon-nucleon ($NN$) interactions based on chiral effective theories are commonly used in ab initio calculations of light nuclei. Here we present a study based on three different $NN$ interactions (up to next-to-next-to-leading order) for which structure and elastic proton scattering observables are consistently calculated for $^4$He, $^{12}$C, and $^{16}$O. The interactions are compared at the two-body level in terms of Wolfenstein amplitudes, and their predictions for ground state energies, point-proton radii, and charge form factors, as well as proton elastic scattering observables in the leading-order spectator expansion in the energy range between 65 and 160 MeV projectile energy are presented. Finally, to gain further insight into differences visible in elastic scattering observables, we investigate the behavior of the calculated effective nucleon-nucleus interactions for the $^{12}$C nucleus based on the different $NN$ interactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Disoriented isospin condensates may be the source of anomalous kaon correlations measured in Pb-Pb collisions at s N N = 2.76 TeV

The magnitude of fluctuations between charged and neutral kaons measured by the ALICE Collaboration in heavy-ion collisions at the LHC exceeds conventional explanation. Here it is shown that if the scalar condensate, which is typically associated with chiral symmetry, is accompanied by an isospin = 1 field, then the combination can produce large fluctuations where 〈 u ¯ u 〉 ≠ 〈 d ¯ d 〉 . Hadronizing strange and antistrange quarks might then strongly fluctuate between charged ( u s ¯ or s u ¯ ) and neutral ( d s ¯ or s d ¯ ) kaons. Published by the American Physical Society 2024

Physics↗