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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bond clusters control rupture force limit in shear loaded histidine-Ni 2+ metal-coordinated proteins

Dynamic noncovalent interactions are pivotal to the structure and function of biological proteins and have been used in bioinspired materials for similar roles. Metal-coordination bonds, in particular, are especially tunable and enable control over static and dynamic properties when incorporated into synthetic materials. Despite growing efforts to engineer metal-coordination bonds to produce strong, tough, and self-healing materials, the systematic characterization of the exact contribution of these bonds towards mechanical strength and the effect of geometric arrangements is missing, limiting the full design potential of these bonds. In this work, we engineer the cooperative rupture of metal-coordination bonds to increase the rupture strength of metal-coordinated peptide dimers. Utilizing all-atom steered molecular dynamics simulations on idealized bidentate histidine-Ni 2+ coordinated peptides, we show that histidine-Ni 2+ bonds can rupture cooperatively in groups of two to three bonds. We find that there is a strength limit, where adding additional coordination bonds does not contribute to the additional increase in the protein rupture strength, likely due to the highly heterogeneous rupture behavior exhibited by the coordination bonds. Further, we show that this coordination bond limit is also found natural metal-coordinated biological proteins. Using these insights, we quantitatively suggest how other proteins can be rationally designed with dynamic noncovalent interactions to exhibit cooperative bond breaking behavior. Altogether, this work provides a quantitative analysis of the cooperativity and intrinsic strength limit for metal-coordination bonds with the aim of advancing clear guiding molecular principles for the mechanical design of metal-coordinated materials.

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

Nonlinear mode coupling and energetics of driven magnetized shear-flow turbulence

To comprehensively understand the saturation of two-dimensional (2D) magnetized Kelvin–Helmholtz-instability-driven turbulence, energy transfer analysis is extended from the traditional interaction between scales to include eigenmode interactions, by using the nonlinear couplings of linear eigenmodes of the ideal instability. While both kinetic and magnetic energies cascade to small scales, a significant fraction of turbulent energy deposited by unstable modes in the fluctuation spectrum is shown to be re-routed to the conjugate-stable modes at the instability scale. They remove energy from the forward cascade at its inception. The remaining cascading energy flux is shown to attenuate exponentially at a small scale, dictated by the large-scale stable modes. Guided by a widely used instability-saturation assumption, a general quasi-linear model of instability is tested by retaining all nonlinear interactions except those that couple to the large-scale stable modes. These complex interactions are analytically removed from the magnetohydrodynamic equations using a novel technique. Observations are an explosive large-scale vortex separation instead of the well-known merger of 2D, a dramatic enhancement in turbulence level and spectral energy fluxes, and a reduced small-scale dissipation length scale. These show the critical role of the stable modes in instability saturation. Possible reduced-order turbulence models are proposed for fusion and astrophysical plasmas, based on eigenmode-expanded energy transfer analyses.

Physics↗
DOE OSTI2025

Time-resolved measurement of neutron energy isotropy in a sheared-flow-stabilized Z pinch

Previous measurements of neutron energy using fast plastic scintillators while operating the Fusion Z Pinch Experiment (FuZE) constrained the energy of any yield-producing deuteron beams to less than 4.65 keV. FuZE has since been operated at increasingly higher input power, resulting in increased plasma current and larger fusion neutron yields. A detailed experimental study of the neutron energy isotropy in these regimes applies more stringent limits to possible contributions from beam-target fusion. The FuZE device operated at -25 kV charge voltage has resulted in average plasma currents of 370 kA and D–D fusion neutron yields of $4\times10^7 \pm 4\times10^6$ neutrons per discharge. Measurements of the neutron energy isotropy under these operating conditions demonstrates the energy of deuteron beams is less than $7.4 \pm 5.6^\mathrm{(stat)} \pm 3.7^\mathrm{(syst)}$ keV. Characterization of the detector response has reduced the number of free parameters in the fit of the neutron energy distribution, improving the confidence in the forward-fit method. Gamma backgrounds have been measured and the impact of these contributions on the isotropy results have been studied. Additionally, a time dependent measurement of the isotropy has been resolved for the first time, indicating increases to possible deuteron beam energies at late times. This suggests the possible growth of m = 0 instabilities at the end of the main radiation event but confirms that the majority of the neutron production exhibits isotropy consistent with thermonuclear origin.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Self-calibrating optical galaxy cluster selection bias using cluster, galaxy, and shear cross-correlations

ABSTRACT The clustering signals of galaxy clusters are powerful tools for self-calibrating the mass–observable relation and are complementary to cluster abundance and lensing. In this work, we explore the possibility of combining three correlation functions – cluster lensing, the cluster–galaxy cross-correlation function, and the galaxy autocorrelation function – to self-calibrate optical cluster selection bias, the boosted clustering and lensing signals in a richness-selected sample mainly caused by projection effects. We develop mock catalogues of redMaGiC-like galaxies and redMaPPer-like clusters by applying halo occupation distribution models to N-body simulations and using counts-in-cylinders around massive haloes as a richness proxy. In addition to the previously known small-scale boost in projected correlation functions, we find that the projection effects also significantly boost three-dimensional correlation functions to scales of 100 $h^{-1} \, \rm Mpc$. We perform a likelihood analysis assuming survey conditions similar to the Dark Energy Survey and show that the selection bias can be self-consistently constrained at the 10 per cent level. We discuss strategies for applying this approach to real data. We expect that expanding the analysis to smaller scales and using deeper lensing data would further improve the constraints on cluster selection bias.

Astronomy & Astrophysics↗