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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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238 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

COG User's Manual: A Multiparticle Monte Carlo Transport Code (Sixth Edition)

COG is a high-resolution code for the Monte Carlo simulation of coupled particle transport in arbitrary 3-D geometry. COG will transport neutrons, protons, deuterons, alpha particles with energies up to hundreds of GeV, and photons with energy ranges limited by the available cross section sets and physics models. Electrons can be transported via the EGS5 electron transport kernel, electrons can also be transported. The COG code is a significant upgrade from earlier Monte Carlo transport codes and has been written specifically to make it more versatile, accurate, and easy to use. COG has provisions for calculating deep penetration (shielding) problems, criticality problems, and neutron activation problems while retains all of the standard capabilities found in other Monte Carlo transport codes. COG uses high-resolution pointwise cross-section databases and makes no compromises in the transport physics, so that the results of a COG run are limited only by the accuracy of the databases used. COG runs primarily on Linux Operating System workstations with MPICH software installed – currently, Red Hat 7 & 8, Windows 10 (Windows Subsystem for Linux –WSL), Ubuntu 16, 18 & 20, OpenSUSE Leap 15.2, Fedora 32, Apple Power Mac with Intel CPU (with MacPorts installed) workstations, and LLNL LC supercomputer CTS-1 cluster with TOSS 3 are supported.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Exploration of Tertiary Structure in Sequence-Defined Polymers Using Molecular Dynamics Simulations

Peptoids are a class of sequence-defined biomimetic polymers with peptide-like backbones and side chains located on backbone nitrogens rather than alpha carbons. These materials demonstrate a strong ability for precise control of single-chain structure, multiunit self-assembly, and macromolecular assembly through careful tuning of sequence due to the diversity of available side chains, although the driving forces behind these assemblies are often not understood. Prior experimental work has shown that linked 15mer peptoids can mimic the protein helical hairpin structure by leveraging the chirality-inducing nature of bulky side chains and hydrophobicity, but there are still gaps in our understanding of the relationship between sequence, stability, and particular secondary or tertiary structure. Here, we present a molecular dynamics (MD) study on the folding behavior of these polymers into hairpins, discussing the differences in structure from sequences with various characteristics in water and acetonitrile, and then compare the handedness preference of common helical motifs between solvents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Two-proton decay from α-cluster states in 10 C and 11 N

Two-proton decay from excited states in 10 C and 11 N has been characterized from an analysis of the 2p + 2α and 3p + 2α exit channels. Data from four previously published invariant-mass studies associated with inelastic excitation, multinucleon knockout, and neutron pickup reactions have been considered. A rotational band in 10 C was identified built on the second 0 + state which has strong α-cluster molecular structure. The members of this band were tentatively identified up to J π = 4 + and all identified states have a prompt 2p decay branch. The spins of the 0 + and 2 + members were deduced from comparisons of the momentum correlations in their 2p branches to those from known 2p emitters. The 2 + and the tentative 4 + members are both above the α threshold and exhibit large reduced decay widths for α emission. This band exhibits a similar moment of inertia to its analog in the mirror nucleus 10 Be. Evidence is also presented for a molecular band in 11 N built on the second 3/2 – state which 2p decays. Furthermore, tentative members of this band have been assigned up to J π = 9/2 – and their excitation energies also match their likely analogs in the mirror nucleus 11 Be.

6 ≤ A ≤ 19↗
DOE OSTI2020

Stellar and weak lensing profiles of massive galaxies in the Hyper-Suprime Cam survey and in hydrodynamic simulations

ABSTRACT We perform a consistent comparison of the mass and mass profiles of massive (M⋆ > 1011.4 M⊙) central galaxies at z ∼ 0.4 from deep Hyper Suprime-Cam (HSC) observations and from the Illustris, TNG100, and Ponos simulations. Weak lensing measurements from HSC enable measurements at fixed halo mass and provide constraints on the strength and impact of feedback at different halo mass scales. We compare the stellar mass function (SMF) and the Stellar-to-Halo Mass Relation (SHMR) at various radii and show that the radius at which the comparison is performed is important. In general, Illustris and TNG100 display steeper values of α where $M_{\star } \propto M_{\rm vir}^{\alpha }$. These differences are more pronounced for Illustris than for TNG100 and in the inner rather than outer regions of galaxies. Differences in the inner regions may suggest that TNG100 is too efficient at quenching in situ star formation at Mvir ≃ 1013 M⊙ but not efficient enough at Mvir ≃ 1014 M⊙. The outer stellar masses are in excellent agreement with our observations at Mvir ≃ 1013 M⊙, but both Illustris and TNG100 display excess outer mass as Mvir ≃ 1014 M⊙ (by ∼0.25 and ∼0.12 dex, respectively). We argue that reducing stellar growth at early times in $M_\star \sim 10^{9-10} \, \mathrm{M}_{\odot }$ galaxies would help to prevent excess ex-situ growth at this mass scale. The Ponos simulations do not implement AGN feedback and display an excess mass of ∼0.5 dex at r < 30 kpc compared to HSC which is indicative of overcooling and excess star formation in the central regions. The comparison of the inner profiles of Ponos and HSC suggests that the physical scale over which the central AGN limits star formation is r ≲ 20 kpc. Joint comparisons between weak lensing and galaxy stellar profiles are a direct test of whether simulations build and deposit galaxy mass in the correct dark matter haloes and thereby provide powerful constraints on the physics of feedback and galaxy growth. Our galaxy and weak lensing profiles are publicly available to facilitate comparisons with other simulations.

79 ASTRONOMY AND ASTROPHYSICS↗