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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A comparison between residential relocation timing of Sydney and Chicago residents: A Bayesian survival analysis

We report that understanding households' behaviour in residential relocation timing is of great importance in the field of transport engineering and economics. This research aims to develop a residential relocation model by considering the potential dynamic impacts of other households' decisions and variables, including economic and demographic attributes, housing features, intra-household decision-making structures, travel mode choice, and other life-course attributes. A multivariate parametric survival model with both fixed and time-varying covariates is developed. To the best of the authors' knowledge, this study is the first paper in the literature of residential relocation timing to propose the use of a Bayesian model in contrast to the widely used classic frequentist approach and have conducted a discussion on its advantages. An emerging residential relocation dataset collected for two cities in Australia and the USA (Sydney and Chicago cities) has been used, which covers residence, vehicle ownership, occupation, education, economic and demographic attributes of respondents. A comprehensive comparison between the results of two cities and a comparison between two Bayesian and frequentist approaches are made. This study confirms the impact of life-course variables, intra-household decision-making behaviours, and sociodemographic attributes on home mobility. According to the model outputs, the accelerating or decelerating impact of explanatory variables on the relocation timing has been almost the same in the two cities. The Bayesian model was confirmed to have some advantages over the frequentist model, including being straightforward to interpret, availability of making inferences on the results, and ease of handling complex models, and optimisation convergence complexities.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Discovering the nanoscale origins of localized corrosion in additive manufactured stainless steel 316L by liquid cell transmission electron microscopy

Here, we use liquid cell scanning transmission electron microscopy (STEM) to directly characterize the nanoscale origins of corrosion initiation in Additive manufacturing (AM) 316 L stainless steel. Under applied anodic potentials, we found that the dislocation cellular boundaries were preferentially corroded and that regions of localize corrosion occurred along the cellular boundaries. We directly observed the earliest stages of corrosion by controlling the biasing parameters to decelerate the corrosion processes. The results show that highly localized corrosion occurs via inclusion dissolution along dislocation cell boundaries. More widespread corrosion initiates at the dislocation cell boundaries and spreads throughout the dislocation networks.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Accelerated impurity solver for DMFT and its diagrammatic extensions

Here, we present ComCTQMC, a GPU accelerated quantum impurity solver. It uses the continuous-time quantum Monte Carlo (CTQMC) algorithm wherein the partition function is expanded in terms of the hybridisation function (CT-HYB). ComCTQMC supports both partition and worm-space measurements, and it uses improved estimators and the reduced density matrix to improve observable measurements whenever possible. ComCTQMC efficiently measures all one and two-particle Green's functions, all static observables which commute with the local Hamiltonian, and the occupation of each impurity orbital. ComCTQMC can solve complex-valued impurities with crystal fields that are hybridized to both fermionic and bosonic baths. Most importantly, ComCTQMC utilizes graphical processing units (GPUs), if available, to dramatically accelerate the CTQMC algorithm when the Hilbert space is sufficiently large. We demonstrate acceleration by a factor of over 600 (100) in a simulation of δ-Pu at 600 K with (without) crystal fields. In easier problems, the GPU offers less impressive acceleration or even decelerates the CTQMC. Here we describe the theory, algorithms, and structure used by ComCTQMC in order to achieve this set of features and level of acceleration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Recent and planned hydrodynamic instability experiments on indirect-drive implosions on the National Ignition Facility

At National Ignition Facility (NIF), yield amplification due to alpha particle heating approached ~3 in the highest performing inertial confinement fusion (ICF) implosions, while yield amplification of ~15-30 is needed for ignition. Hydrodynamic instabilities are a major factor in degradation of implosions while understanding and mitigation of the instabilities are critical to achieving ignition. This article describes recent and planned hydrodynamic instability experiments with several focused platforms that have been developed to directly measure these instabilities in all phases of ICF implosions. Measurements of ripple-shock generation at OMEGA laser have indicated initial seeds for the instabilities in three ablators - plastic (CH), beryllium, and high-density carbon (HDC). Hydrodynamic Growth Radiography (HGR) platform was used to measure instability growth at the ablation front in the acceleration phase of implosions. This platform used pre-imposed 2-D perturbations for growth factor measurements at different perturbation wavelengths and was also used to measure growth of “native roughness” modulations, fill tubes, and capsule support membranes or “tents”. Also, in the acceleration phase several new experimental platforms have been or are being developed to measure instability growth at the ablator-ice interface. In the deceleration phase of implosions, “self-emission” and “self-backlighting” platforms were developed to measure perturbations near peak compression. This article reviews recent progress and results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Droplet-Gas Interactions in Nanoelectrospray Multiphase Flow

Electrospray (ES) is production of a charged droplet plume that transits from an electrically biased supply capillary to a counter electrode under the influence of an electric field. Drag interactions with the surrounding gas decelerate the droplets while transferring the momentum from droplets to accelerate the surrounding gas, resulting in an induced gas flow. This work seeks to characterize the structure of the resulting gas jet and identify the key mechanisms defining the flow structure. The phenomenon of gas jets produced by momentum transfer from nano-electrospray (nES) plumes is explored with schlieren visualization, thermal anemometry, and numerical simulations. Schlieren visualization experiments provide information on the flow structure in support of simulation predictions, and the hot thermistor anemometry measurements of gas velocities outside the spray demonstrate quantitatively validated simulation results. The study reveals the formation of a moderately high velocity coaxial gas jet within the nES plume and provides insight into the overall flow structure of the induced flow. The multiphase electrohydrodynamic simulations enable numerical experimentation to explore the fundamental physics of coupled droplet-gas transport and the resulting flow structure. The simulations, confirmed by the experiments, reveal gas jetting induced by nES with a narrow (sub hundred micrometers in diameter) core originating from the nES liquid-jet breakup region and a surrounding larger-in-extent zone (several hundred micrometers in diameter) of lower velocity gas flow within the electrospray plume. This behavior is due to nES ejecting a stream of droplets from the tip of a narrow liquid cone-jet, where the combined effect of many small droplets transferring momentum to a confined region of gas yields a narrow but high-velocity gas stream. Furthermore, the micro-jets produced by nES have practical utility for mass spectrometry, 3D printing and fabrication, and thermal management.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Atomistic modeling of nanoparticle generation in short pulse laser ablation of thin metal films in water

Laser ablation in liquids is actively used for generation of clean colloidal nanoparticles with unique shapes and functionalities. The fundamental mechanisms of the laser ablation in liquids and the key processes that control the nanoparticle structure, composition, and size distribution, however, are not yet fully understood. In this paper, we report the results of first atomistic simulations of laser ablation of metal targets in liquid environment. A model combining a coarse-grained representation of the liquid environment (parameterized for water), a fully atomistic description of laser interactions with metal targets, and acoustic impedance matching boundary conditions is developed and applied for simulation of laser ablation of a thin silver film deposited on a silica substrate. The simulations, performed at two laser fluences in the regime of phase explosion, predict a rapid deceleration of the ejected ablation plume and the formation of a dense superheated molten layer at the water-plume interface. The water in contact with the hot metal layer is brought to the supercritical state and transforms into an expanding low density metal-water mixing region that serves as a precursor for the formation of a cavitation bubble. Two distinct mechanisms of the nanoparticle formation are predicted in the simulations: (1) the nucleation and growth of small (mostly ≤10nm) nanoparticles in the metal-water mixing region and (2) the formation of larger (tens of nm) nanoparticles through the breakup of the superheated molten metal layer triggered by the emergence of complex morphological features attributed to the Rayleigh-Taylor instability of the interface between at the superheated metal layer and the supercritical water. The first mechanism is facilitated by the rapid cooling of the growing nanoparticles in the supercritical water environment, resulting in solidification of the nanoparticles located in the upper part of the mixing region on the timescale of nanoseconds. The computational prediction of the two mechanisms of nanoparticle formation yielding nanoparticles with different characteristic sizes is consistent with experimental observations of two distinct nanoparticle populations appearing at different stages of the ablation process.

Chemistry↗
DOE OSTI2020

On numerical errors to the fields surrounding a relativistically moving particle in PIC codes

The particle-in-cell (PIC) method is widely used to model the self-consistent interaction between discrete particles and electromagnetic fields. It has been successfully applied to problems across plasma physics including plasma based acceleration, inertial confinement fusion, magnetically confined fusion, space physics, astrophysics, high energy density plasmas. In many cases the physics involves how relativistic particles (those with high relativistic γ factors) are generated and interact with plasmas. However, when relativistic particles stream across the grid, both in “vacuum” and in plasma, many numerical issues may arise which can lead to unphysical results. We present a detailed analysis of how discretized Maxwell solvers used in PIC codes can lead to numerical errors to the fields that surround particles that move at relativistic speeds across the grid. Expressions for the axial electric field as integrals in k space are presented that reveal two types of errors. The first arises from errors to the numerator of the integrand and leads to unphysical fields that are antisymmetric about the particle. Furthermore, the second arises from errors to the denominator of the integrand and lead to Cherenkov like radiation in “vacuum”. These fields are not anti-symmetric, extend behind the particle, and cause the particle to accelerate or decelerate depending on the solver and parameters. The unphysical fields are studied in detail for two representative solvers - the Yee solver and the FFT based solver. Although the Cherenkov fields are absent, the space charge fields are still present in the fundamental Brillouin zone for the FFT based solvers. In addition, the Cherenkov fields are present in higher order zones for the FFT based solvers. Comparison between the analytical solutions and PIC simulation results are presented. A solution for eliminating these unphysical fields by modifying the k operator in the axial direction is also presented. Using a customized finite difference solver, this solution was successfully implemented into OSIRIS [1]. Results from the customized solver are also presented. Additionally, this solution will be useful for a beam of particles that all move in one direction with a small angular divergence.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Impact of vegetation dynamics on hydrological processes in a semi-arid basin by using a land surface-hydrology coupled model

Land surface models (LSMs) are widely used to understand the interactions between hydrological processes and vegetation dynamics, which is important for the attribution and prediction of regional hydrological variations. However, most LSMs have large uncertainties in their representations of ecohydrological processes due to deficiencies in hydrological parameterizations. In this study, the Community Land Model version 4 (CLM4) LSM was modified with an advanced runoff generation and flow routing scheme, resulting in a new land surface-hydrology coupled model, CLM-GBHM. Both models were implemented in the Wudinghe River Basin (WRB), which is a semi-arid basin located in the middle reaches of the Yellow River, China. Compared with CLM, CLM-GBHM increased the Nash Sutcliffe efficiency for daily river discharge simulation (1965–1969) from 0.03 to 0.23 and reduced the relative bias in water table depth simulations (2010–2012) from 32.4% to 13.4%. The CLM-GBHM simulations with static, remotely sensed and model-predicted vegetation conditions showed that the vegetation in the WRB began to recover in the 2000s due to the Grain for Green Program but had not reached the same level of vegetation cover as regions in natural eco-hydrological equilibrium. Compared with a simulation using remotely sensed vegetation cover, the simulation with a dynamic vegetation model that considers only climate-induced change showed a 10.3% increase in evapotranspiration, a 47.8% decrease in runoff, and a 62.7% and 71.3% deceleration in changing trend of the outlet river discharge before and after the year 2000, respectively. We conclude this result suggests that both natural and anthropogenic factors should be incorporated in dynamic vegetation models to better simulate the eco-hydrological cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Effects of point defects on oxidation of 3C–SiC

The influence of implantation-induced point defects (PDs) on SiC oxidation is investigated via molecular dynamics simulations. PDs generally increase the oxidation rate of crystalline grains. Particularly, accelerations caused by Si antisites and vacancies are comparable, and followed by Si interstitials, which are higher than those by C antisites and C interstitials. However, in the grain boundary (GB) region, defect contribution to oxidation is more complex, with C antisites decelerating oxidation. Here, the underlying reason is the formation of a C-rich region along the oxygen diffusion pathway that blocks the access of O to Si and thus reduces the oxidation rate, as compared to the oxidation along a GB without defects.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Synergistic Effects of Molten Salt Corrosion and Proton Irradiation on Grain Boundary Strength in Ni-20Cr

Nickel-based alloys are leading contenders for use as structural materials in molten salt reactors. While there have been extensive studies on the impact of fluoride/chloride-based molten salt corrosion on the microstructural evolution of various nickel-based alloys, the effects of simultaneous molten salt corrosion and radiation on the mechanical integrity of grain boundaries (GBs) remain underexplored. In this study, we use a Ni-20Cr model alloy to investigate this issue, subjecting it to simultaneous molten fluoride salt corrosion and proton irradiation. We performed cross-sectional and chemically-sensitive electron microscopy characterization of the microstructures of these materials, identifying the characteristic corrosion-induced microstructure and local chemical heterogeneity near GBs. After developing a sample preparation method for reliable characterization of GB strength, we assess the mechanical degradation of GBs using in situ push-to-pull micro tensile tests. Our findings reveal that voids induced by corrosion are the primary influence on the failure mode of GBs, regardless of whether proton irradiation is present. For materials that exhibit ductile fracture, those subjected to simultaneous corrosion and radiation exhibit lower yield strengths than those exposed to corrosion alone, which may be linked to the previously observed phenomenon of proton irradiation-decelerated intergranular corrosion in molten salt.

36 - MATERIALS SCIENCE↗
DOE OSTI2026

Molten pool dynamics and humping suppression in high-speed laser welding via tailored beam configurations

High-speed laser welding is essential for increasing the production rate of fuel cell fabrication. However, when the welding speed exceeds a critical limit, humping occurs and reduces the weld quality. In this study, two tailored beam configurations, including an adjustable ring mode and a dual-beam configuration, were employed to suppress humping. Computational fluid dynamics simulations were performed to elucidate the underlying suppression mechanisms. Here, the results show that, in the adjustable ring mode, humping mitigation arises from a reduced backward cross-sectional melt flow rate and a more stable molten pool. In the dual-beam configuration, humping suppression is attributed to the deceleration of melt flow, the conduction-mode behavior of the trailing beam, and the widening of the molten pool induced by the trailing laser. Furthermore, because the dual-beam configuration directly modifies the trailing molten pool dynamics, it achieves more effective humping suppression, extending the welding speed limit to 1.50 m/s, compared with 1.00 m/s for the adjustable ring mode.

08 HYDROGEN↗
DOE OSTI2017

High gradient tests of metallic mm-wave accelerating structures

This study explores the physics of vacuum rf breakdowns in high gradient mm-wave accelerating structures. We performed a series of experiments with 100 GHz and 200 GHz metallic accelerating structures, at the Facility for Advanced Accelerator Experimental Tests (FACET) at the SLAC National Accelerator Laboratory. This paper presents the experimental results of rf tests of 100 GHz travelling-wave accelerating structures, made of hard copper-silver alloy. The results are compared with pure hard copper structures. The rf fields were excited by the FACET ultra-relativistic electron beam. The accelerating structures have open geometries, 10 cm long, composed of two halves separated by a variable gap. The rf frequency of the fundamental accelerating mode depends on the gap size and can be changed from 90 GHz to 140 GHz. The measured frequency and pulse length are consistent with our simulations. When the beam travels off-axis, a deflecting field is induced in addition to the decelerating longitudinal field. We measured the deflecting forces by observing the displacement of the electron bunch and used this measurement to verify the expected accelerating gradient. We present the first quantitative measurement of rf breakdown rates in 100 GHz copper-silver accelerating structure, which was 10 –3 per pulse, with peak electric field of 0.42 GV/m, an accelerating gradient of 127 MV/m, at a pulse length of 2.3 ns. The goal of our studies is to understand the physics of gradient limitations in order to increase the energy reach of future accelerators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Measurement of transformer ratio from ramped beams in the blowout regime

We present the plans for a UCLA-Argonne collaborative plasma wakefield acceleration (PWFA) experiment aimed at demonstrating the dependence of transformer ratio - the relation between maximum acceleration observed in a plasma wake to the maximum deceleration of the driving beam - on beam shape. Utilizing the unique capabilities of the emittance exchange (EEX) beamline, we may obtain transformer ratios in excess of six in a 120 MeV/m PWFA. These experiments are a crucial step in enabling applications ranging from compact X-ray free electron laser (FEL) light sources to TeV-class linear colliders for high energy physics.

Linear↗
DOE OSTI2018

Area-preserving scheme for efficiency enhancement in single-pass tapered free electron lasers

Efficiency enhancement of a single-pass short-wavelength high-gain tapered free electron laser (FEL) has recently been intensively studied. The goal is to sustain the growth of radiation power in the post-saturation regime. Among the various schemes, the undulator tapering is considered an effective route to achieve higher power extraction efficiency. The tapering strategy can be of constant or varying resonant phase along the undulator axis. In this paper we propose an efficiency-enhancement scheme based on preservation of the longitudinal phase space area which ensures trapping of resonant particles in the ponderomotive bucket as long as possible along the undulator axis before significant particle depletion occurs. In the meanwhile such a scheme takes advantage of the increase of the radiation field amplitude to precipitate the particle deceleration process at the middle stage of undulator tapering. We analyze such an area-preserving scheme of undulator tapering by formulating the post-saturation FEL interaction in a one-dimensional (1-D) model via introduction of the particle trapping fraction. The output performance is evaluated through numerical iteration and confirmed with 1-D particle tracking simulations. The results show that the optimal power extraction efficiency based on the proposed scheme, together with a prebunched beam, can be greatly improved within relatively short taper length compared with other schemes before radiation diffraction effect becomes significant. Besides, the undesired sideband effects are found to be effectively suppressed. For the proposed area-preserving taper scheme, we also derive an analytical approximate formula for the resonant phase as a function of undulator axis. In conclusion, we expect that the analysis can shed light on the aim to further enhance the power extraction efficiency in single-pass tapered FELs.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Shielding a monoenergetic photon source for nonproliferation applications analysis

Near-monoenergetic photon sources offer appealing improvements over broad-band bremsstrahlung sources when applied to challenges in nonproliferation efforts. The use of a laser-plasma accelerator offers electrons at the energies needed for multi-MeV Thomson sources in a compact form factor. Because these electrons have energy up to approximately 0.5 GeV, many energetic photons and neutrons are created as they are dumped out of the beam line. This fact creates challenges for performing experiments to demonstrate the advantages of such a photon source for nonproliferation applications in the short term, until effective methods for decelerating the electrons are developed. To mitigate these background particles for laboratory measurements, a system of beam dumps and secondary collimators has been designed. Once background flux is reduced to the lowest practical level, it is compared to the expected flux created by the source photon beam on a lead target. This simulation mimics a nonproliferation application by predicting measured flux off-axis from an interrogated high-Z object as a surrogate for special nuclear material. Background mitigation techniques are also expanded to a mobile interrogation case. Furthermore, these methods allow for demonstration of nonproliferation applications of near-monoenergetic photon sources and future deployment in the field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Experimental design of a W-band corrugated waveguide for wakefield acceleration studies

Radiofrequency (RF) structures in the sub-terahertz (sub-THz) regime are of interest for applications in structure wakefield acceleration due to their compact size and potential for high gradients. Here, we present the design, fabrication, and experimental setup of a metallic corrugated waveguide at 110 GHz, optimized for the 42 MeV electron beam parameters at the Argonne Wakefield Accelerator (AWA). The emittance exchange (EEX) beamline at AWA was used to perform longitudinal bunch shaping for two cases: (1) a high decelerating gradient experienced by a single drive electron bunch about 250 μm long; (2) a high transformer ratio using a two-bunch train consisting of a triangularly shaped drive bunch followed by a long witness bunch to probe the wakefield. Preliminary experimental results are presented, and data analysis is ongoing.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Dynamical initialization and hydrodynamic modeling of relativistic heavy-ion collisions

We present a fully three-dimensional model providing initial conditions for energy and conserved charge density distributions in heavy ion collisions at RHIC Beam Energy Scan (BES) collision energies. The model includes the dynamical deceleration of participating nucleons or valence quarks. It provides a realistic estimation of the initial baryon stopping during the early stage of collisions. We also present the implementation of the model with 3+1 dimensional hydrodynamics, which involves the addition of source terms that deposit energy and net-baryon densities produced by the initial state model at proper times greater than the initial time for the hydrodynamic simulation. The importance of this dynamical initialization stage on hadronic flow observables at the RHIC BES is quantified.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

On detrending stream velocity time series for robust tidal flow turbulence characterization

We investigated the impact of detrending techniques on turbulence quantities from tidal stream flow data, focusing on the autocorrelation function, $ρ_{uu}$, and velocity spectrum, $Φ(f)$. Standard detrending methods, including high-pass frequency-based and polynomial-based techniques, are examined, alongside a proposed alternative method, the empirical mode decomposition (EMD). Our results highlight that intervals of flow acceleration and deceleration, typical in tidal and riverine flows, significantly affect the estimation of turbulence quantities using high-pass frequency filtering and polynomial detrending of varying orders. These methods can strongly influence $ρ_{uu}$ and $Φ(f)$, thereby affecting the accurate estimation of derived quantities. We examine two variations of detrending data using EMD; the first removes only the EMD residue, and the second removes both the residue and the largest scale intrinsic mode function (IMF). By comparing the detrended spectra with the modeled von Kármán spectra, we demonstrate that the second variation (i.e., removing the residue and the largest scale IMF) successfully removed the large-scale trend of the data while retaining the energy of other scales.

Detrend↗