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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Observing structural reorientations at solvent–nanoparticle interfaces by X-ray diffraction – putting water in the spotlight

Nanoparticles are attractive in a wide range of research genres due to their size-dependent properties, which can be in contrast to those of micrometre-sized colloids or bulk materials. This may be attributed, in part, to their large surface-to-volume ratio and quantum confinement effects. There is a growing awareness that stress and strain at the particle surface contribute to their behaviour and this has been included in the structural models of nanoparticles for some time. One significant oversight in this field, however, has been the fact that the particle surface affects its surroundings in an equally important manner. It should be emphasized here that the surface areas involved are huge and, therefore, a significant proportion of solvent molecules are affected. Experimental evidence of this is emerging, where suitable techniques to probe the structural correlations of liquids at nanoparticle surfaces have only recently been developed. The recent validation of solvation shells around nanoparticles has been a significant milestone in advancing this concept. Restructured ordering of solvent molecules at the surfaces of nanoparticles has an influence on the entire panoply of solvent–particle interactions during, for example, particle formation and growth, adhesion forces in industrial filtration, and activities of nanoparticle–enzyme complexes. This article gives an overview of the advances made in solvent–nanoparticle interface research in recent years: from description of the structure of bulk solids and liquids via macroscopic planar surfaces, to the detection of nanoscopic restructuring effects. Water–nanoparticle interfaces are given specific attention to illustrate and highlight their similarity to biological systems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Probability of Electron Capture by {sup 3}He{sup 2+} Ions from Argon Atoms at Different Impact Parameters

We have measured the absolute values of total cross sections of capture of one and two electrons by He{sup 2+} ions from argon atoms. The differential scattering cross sections have been determined for fast atoms and singly charged helium ions formed in each of these processes (without and with additional ionization of the formed slow argon ion). Measurements have been taken for He{sup 2+} ions with kinetic energy of 6 keV in scattering angle range 0–2.5°. Based on the measured differential cross sections using different model atomic particle interaction potentials, we have calculated the cross sections of these processes as functions of the impact parameter. The probabilities of realization of these processes with electron density distribution in different shells in the target atom have been compared. The applicability of the expressions for the screened Coulomb interaction potentials in the description of scattering of particles that have captured electrons has been demonstrated.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Cabana: A Performance Portable Library for Particle-Based Simulations

Particle-based simulations are ubiquitous throughout many fields of computational science and engineering, spanning the atomistic level with molecular dynamics (MD), to mesoscale particle-in-cell (PIC) simulations for solid mechanics, device-scale modeling with PIC methods for plasma physics, and massive N-body cosmology simulations of galaxy structures, with many other methods in between (Hockney & Eastwood, 1989). While these methods use particles to represent significantly different entities with completely different physical models, many low-level details are shared including performant algorithms for short- and/or long-range particle interactions, multi-node particle communication patterns, and other data management tasks such as particle sorting and neighbor list construction. Cabana is a performance portable library for particle-based simulations, developed as part of the Co-Design Center for Particle Applications (CoPA) within the Exascale Computing Project (ECP) (Alexander et al., 2020). The CoPA project and its full development scope, including ECP partner applications, algorithm development, and similar software libraries for quantum MD, is described in (Mniszewski et al., 2021). Cabana uses the Kokkos library for on-node parallelism (Edwards et al., 2014; Trott et al., 2022), enabling simulation on multi-core CPU and GPU architectures, and MPI for GPU-aware, multi-node communication. Cabana provides particle simulation capabilities on almost all current Kokkos backends, including serial execution, OpenMP (including OpenMP-Target for GPUs), CUDA (NVIDIA GPUs), HIP (AMD GPUs), and SYCL (Intel GPUs), providing a clear path for the coming generation of accelerator-based exascale hardware. Cabana builds on Kokkos by providing new particle data structures and particle algorithms resulting in a similar execution policy-based, node-level programming model that is intended to be used in addition to the core Kokkos library within an application. Cabana is designed as an application and physics agnostic, but particle-specific toolkit which can either be used to generate a new application, or to be used as needed in existing applications at various levels of invasiveness including through interfaces that wrap user memory in existing data structures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Optical Strain Sensing for Particle Detection

Optomechanical strain sensing provides attractive opportunities for novel particle detection schemes, as well as studying stress-induced (i.e. non-radiogenic) phonon bursts, which have been demonstrated to limit the coherence times of superconducting qubits and are a suspected culprit in the low energy excesses observed by many dark matter direct detection experiments. We are investigating SiN microring optical resonator strain sensors, developed at Purdue University, for applications in fundamental particle sensing and QIS. These sensors can be embedded in the substrate upon which superconducting qubits are patterned, providing a handle to distinguish decoherence events of radiogenic origin from those due to crystal stress. In a similar way, these sensors can be operated in conjunction with superconducting detectors (e.g., MKIDs, TES) to enable multi-channel readout of particle interactions in the device substrate or serve as anticoincidence detectors, which may be required to ident ify low-energy interactions from dark matter particles down to the fermionic thermal relic mass limit of a few keV. Such sensors can potentially be used to directly observe resonant scattering processes of gamma rays (and perhaps neutrinos) where no detectable quanta are produced in the target, via the microscopic stress induced by the momentum transfer to the (fixed-in-place) crystal lattice as a whole. These strain sensors have so far found application in photonics and communications, but have yet to be adopted for HEP uses, where they can provide unique capabilities in the search for dark matter as well as understanding and improving the coherence times of superconducting qubits.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Modeling Dense Particle Flow in Multistage and Obstructed Flow Receivers Using High Fidelity Simulations

Particles are a leading contender for next-generation, concentrating solar power technologies, and the design of the particle receiver is critical to minimize the levelized cost of electricity. Falling particle receivers (FPRs) are a viable receiver concept, but many new designs feature complex particle obstructions that include dense discrete phase flows. This creates additional challenges for modeling as particle-to-particle interactions (i.e., collisions) and particle drag become more complex. To improve upon existing modeling strategies, a CFD-DEM simulation capability was created by coupling two independent codes: Sierra/Fuego and LAMMPS. A suitable receiver model was then defined using a traditional continuum-based model for the air and a granular model for the particle curtain. A sensitivity study was executed using this model to determine the relevance of different granular model inputs on important quantities of interest in obstructed flow FPRs: the particle velocity and curtain opacity. The study showed that the granular model inputs had little effect on the particle velocity magnitude and curtain opacity after an obstruction.

Mills, Brantley↗
NASA NTRS1994

A program to measure new energetic particle nuclear interaction cross sections

The Transport Collaboration, consisting of researchers from institutions in France, Germany, Italy, and the USA, has established a program to make new measurements of nuclear interaction cross sections for heavy projectiles (Z greater than or equal to 2) in targets of liquid H2, He and heavier materials. Such cross sections directly affect calculations of galactic and solar cosmic ray transport through matter and are needed for accurate radiation hazard assessment. To date, the collaboration has obtained data using the Lawrence Berkeley Laboratory Bevalac HISS facility with 20 projectiles from He-4 to Ni-58 in the energy range 393-910 MeV/nucleon. Preliminary results from the analysis of these data are presented here and compared to other measurements and to cross section prediction formulae.

Guzik, T. G.↗
NASA NTRS1996

Interaction of Particles and Turbulence in the Solar Nebula

The most widely accepted theories for the formation of the Solar system claim that small solid particles continue to settle into a thin layer at the midplane of the Solar nebula until it becomes gravitationally unstable and collapses directly into km-sized planetesimals. This scenario has been challenged on at least two grounds: (1) due to turbulence, the particles may not settle into a thin layer, and (2) a thin layer may not be unstable. The Solar nebula contains at least three sources of turbulence: radial shear, vertical shear, and thermal convection. The first of these is small and probably negligible, while the last is poorly understood. However, the second contribution is likely to be substantial. The particle-rich layer rotates at nearly the Keplerian speed, but the surrounding gaseous nebula rotates slower because it is partly supported by pressure. The resulting shear generates a turbulent boundary layer which stirs the particles away from the midplane, and forestalls gravitational instability. Our previous work used a 'zero-equation' (Prandtl) model to predict the intensity of shear-generated turbulence, and enabled us to demonstrate numerically that settling of particles to the midplane is self-limiting. However, we neglected the possibility that mass loading by particles might damp the turbulence. To explore this, we have developed a more sophisticated 'one-equation' model which incorporates local generation, transport, and dissipation of turbulence, as well as explicit damping of turbulence by particles. We also include a background level of global turbulence to represent other sources. Our results indicate that damping flattens the distribution of particles somewhat, but that background turbulence thickens the particle layer.

Dacles-Mariani, Jennifer S.↗
NASA NTRS2004

Turbulent Flow Field Measurements of Separate Flow Round and Chevron Nozzles with Pylon Interaction Using Particle Image Velocimetry

Particle Image Velocimetry (PIV) measurements for six separate flow bypass ratio five nozzle configurations have recently been obtained in the NASA Langley Jet Noise Laboratory. The six configurations include a baseline configuration with round core and fan nozzles, an eight-chevron core nozzle at two different clocking positions, and repeats of these configurations with a pylon included. One run condition representative of takeoff was investigated for all cases with the core nozzle pressure ratio set to 1.56 and the total temperature to 828 K. The fan nozzle pressure ratio was set to 1.75 with a total temperature of 350 K, and the freestream Mach number was M = 0.28. The unsteady flow field measurements provided by PIV complement recent computational, acoustic, and mean flow field studies performed at NASA Langley for the same nozzle configurations and run condition. The PIV baseline configuration measurements show good agreement with mean flow field data as well as existing PIV data acquired at NASA Glenn. Nonetheless, the baseline configuration turbulence profile indicates an asymmetric flow field, despite careful attention to concentricity. The presence of the pylon increases the upper shear layer turbulence levels while simultaneously decreasing the turbulence levels in the lower shear layer. In addition, a slightly shorter potential core length is observed with the addition of the pylon. Finally, comparisons of computational results with PIV measurements are favorable for mean flow, slightly over-predicted for Reynolds shear stress, and underpredicted for Reynolds normal stress components.

Doty, Michael J.↗
NASA NTRS2014

The Messy Aerosol Submodel MADE3 (v2.0b): Description and a Box Model Test

We introduce MADE3 (Modal Aerosol Dynamics model for Europe, adapted for global applications, 3rd generation), an aerosol dynamics submodel for application within the MESSy framework (Modular Earth Submodel System). MADE3 builds on the predecessor aerosol submodels MADE and MADE-in. Its main new features are the explicit representation of coarse particle interactions both with other particles and with condensable gases, and the inclusion of hydrochloric acid (HCl)chloride (Cl) partitioning between the gas and condensed phases. The aerosol size distribution is represented in the new submodel as a superposition of nine lognormal modes: one for fully soluble particles, one for insoluble particles, and one for mixed particles in each of three size ranges (Aitken, accumulation, and coarse mode size ranges). In order to assess the performance of MADE3 we compare it to its predecessor MADE and to the much more detailed particle-resolved aerosol model PartMC-MOSAIC in a box model simulation of an idealized marine boundary layer test case. MADE3 and MADE results are very similar, except in the coarse mode, where the aerosol is dominated by sea spray particles. Cl is reduced in MADE3 with respect to MADE due to the HClCl partitioning that leads to Cl removal from the sea spray aerosol in our test case. Additionally, aerosol nitrate concentration is higher in MADE3 due to the condensation of nitric acid on coarse particles. MADE3 and PartMC- MOSAIC show substantial differences in the fine particle size distributions (sizes about 2 micrometers) that could be relevant when simulating climate effects on a global scale. Nevertheless, the agreement between MADE3 and PartMC-MOSAIC is very good when it comes to coarse particle size distribution, and also in terms of aerosol composition. Considering these results and the well-established ability of MADE in reproducing observed aerosol loadings and composition, MADE3 seems suitable for application within a global model.

Mixing state↗