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At least 289 records · Page 16

Modeling rarefied gas chemistry with QuiPS, a novel quasi-particle method

The goal of this work is to build up the capability of quasi-particle simulation (QuiPS), a novel flow solver, such that it can adequately model the rarefied portion of an atmospheric reentry trajectory. Direct simulation Monte Carlo (DSMC) is the conventional solver for such conditions, but struggles to resolve transient flows, trace species, and high-level internal energy states due to stochastic noise. Quasi-particle simulation (QuiPS) is a novel Boltzmann solver that describes a system with a discretized, truncated velocity distribution function. The resulting fixed-velocity, variable weight quasi-particles enable smooth variation of macroscopic properties. The distribution function description enables the use of a variance-reduced collision model, greatly minimizing expense near equilibrium. This work presents the addition of a neutral air chemistry model to QuiPS and some demonstrative 0D simulations. The explicit representation of internal distributions in QuiPS reveals some of the flaws in existing physics models. Overall, variance reduction, a key feature of QuiPS, can greatly reduce expense of multi-dimensional calculations, but is only cheaper when the gas composition is near chemical equilibrium.

42 ENGINEERING↗

Revealing the Multiscale Nature of Turbulence in Space Plasmas with an Innovative Swarm of Spacecraft

Abstract: Turbulence is fundamentally a multiscale phenomena, with energy, mass, and momentum being transported across both spatial and temporal scales. In a magnetized collisionless plasma, there are unresolved questions about the structure of the turbulent transfer of energy, as well as how the energy is extracted from the cascade and dissipated as heat in the constituent charged particles. The plasma in the solar wind acts as an accessible natural laboratory to study these processes, and much progress has indeed been made since the dawn of the space age in understanding turbulence via in situ observations of turbulent plasmas near Earth. However, to date, these observations have been limited to a single, or at best, a tight cluster of points, leading to ambiguities in at what scales energy is contained, how it is transported, and by what mechanism it is dissipated. In this presentation, we describe a heliophysics mission concept aimed at understanding turbulence that is enabled by a swarm of small satellites. The proposed "HelioSwarm" mission will measure turbulent fields and flows and charged particles simultaneously at many points spanning size and time scales from the fluid to sub-ion regime. In doing so, we will be able to disentangle how the turbulence depends on time and space, directly observe the change in internal energy in the plasma, and definitively capture the dynamic relation between turbulence and structures. While the processes under examination are universal, arising throughout our solar system and universe, they are difficult to reproduce in either terrestrial laboratories or numerical simulations, meaning that the only a multipoint observatory in the near-Earth heliosphere will be able to study them in sufficient detail to discern the underlying physics. In this talk, we highlight the enabling role that small satellites play in providing closure on these long-standing but critically important science questions.

Spence, H. E.↗

Device for Measuring Low Flow Speed in a Duct

A multiple-throat venturi system has been invented for measuring laminar flow of air or other gas at low speed (1 to 30 cm/s) in a duct while preserving the laminar nature of the flow and keeping the velocity profile across the duct as nearly flat as possible. While means for measuring flows at higher speeds are well established, heretofore, there have been no reliable means for making consistent, accurate measurements in this speed range. In the original application for which this system was invented, the duct leads into the test section of a low-speed wind tunnel wherein uniform, low-speed, laminar flow is required for scientific experiments. The system could also be used to monitor a slow flow of gas in an industrial process like chemical vapor deposition. In the original application, the multiple- throat venturi system is mounted at the inlet end of the duct having a rectangular cross section of 19 by 14 cm, just upstream of an assembly of inlet screens and flow straighteners that help to suppress undesired flow fluctuations (see Figure 1). The basic venturi measurement principle is well established: One measures the difference in pressure between (1) a point just outside the inlet, where the pressure is highest and the kinetic energy lowest; and (2) the narrowest part (the throat) of the venturi passage, where the kinetic energy is highest and the pressure is lowest. Then by use of Bernoulli s equation for the relationship between pressure and kinetic energy, the volumetric flow speed in the duct can be calculated from the pressure difference and the inlet and throat widths. The design of this system represents a compromise among length, pressure recovery, uniformity of flow, and complexity of assembly. Traditionally, venturis are used to measure faster flows in narrower cross sections, with longer upstream and downstream passages to maintain accuracy. The dimensions of the passages of the present venturi system are sized to provide a readily measurable pressure drop. Multiple throats are used to minimize the length needed to recover internal energy and enable the velocity profile to recover to near flatness.

Quinn, Frank↗

Measuring Thermal Conductivity of a Small Insulation Sample

A multiple-throat venturi system has been invented for measuring laminar flow of air or other gas at low speed (1 to 30 cm/s) in a duct while preserving the laminar nature of the flow and keeping the velocity profile across the duct as nearly flat as possible. While means for measuring flows at higher speeds are well established, heretofore, there have been no reliable means for making consistent, accurate measurements in this speed range. In the original application for which this system was invented, the duct leads into the test section of a low-speed wind tunnel wherein uniform, low-speed, laminar flow is required for scientific experiments. The system could also be used to monitor a slow flow of gas in an industrial process like chemical vapor deposition. In the original application, the multiple- throat venturi system is mounted at the inlet end of the duct having a rectangular cross section of 19 by 14 cm, just upstream of an assembly of inlet screens and flow straighteners that help to suppress undesired flow fluctuations (see Figure 1). The basic venturi measurement principle is well established: One measures the difference in pressure between (1) a point just outside the inlet, where the pressure is highest and the kinetic energy lowest; and (2) the narrowest part (the throat) of the venturi passage, where the kinetic energy is highest and the pressure is lowest. Then by use of Bernoulli s equation for the relationship between pressure and kinetic energy, the volumetric flow speed in the duct can be calculated from the pressure difference and the inlet and throat widths. The design of this system represents a compromise among length, pressure recovery, uniformity of flow, and complexity of assembly. Traditionally, venturis are used to measure faster flows in narrower cross sections, with longer upstream and downstream passages to maintain accuracy. The dimensions of the passages of the present venturi system are sized to provide a readily measurable pressure drop. Multiple throats are used to minimize the length needed to recover internal energy and enable the velocity profile to recover to near flatness.

Miller, Robert A.↗

Relevance of anisotropy in the Kondo effect: Lessons from the symplectic case

A Kondo model with symplectic symmetry was recently put forward as the effective low-energy theory of a superconducting-island device coupled to multiple leads. This model, which possesses non-Fermi liquid physics and effective anyons, was argued to belong to the class of topological Kondo effects. Here, we clarify the extent of stability of its exotic fixed point using perturbative and numerical renormalization group in conjunction with bosonization and conformal field theory. In contrast to previous claims, we show that asymmetry in the coupling to the leads destabilizes the non-Fermi liquid. Other destabilizing perturbations include asymmetry in the superconducting pairing or internal energy of the individual quantum dots in the island. Nevertheless, these perturbations all generate the same relevant operators. Thus, only a small number of couplings need to be tuned individually, and these can be selected according to experimental convenience. Our results highlight a common misconception that anisotropy in single-channel Kondo couplings is always irrelevant. As demonstrated, relevant terms will emerge whenever the group generators do not span the full space of impurity operators. This calls for a more detailed inspection of models that exhibit this property, such as large-spin impurities and SO⁡( M ) Kondo models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantitative comparison of power production and power quality onshore and offshore: a case study from the eastern United States

Abstract. A major issue in quantifying potential power generation from prospective wind energy sites is the lack of observations from heights relevant to modern wind turbines, particularly for offshore where blade tip heights are projected to increase beyond 250 m. We present analyses of uniquely detailed data sets from lidar (light detection and ranging) deployments in New York State and on two buoys in the adjacent New York Bight to examine the relative power generation potential and power quality at these on- and offshore locations. Time series of 10 min wind power production are computed from these wind speeds using the power curve from the International Energy Agency 15 MW reference wind turbine. Given the relatively close proximity of these lidar deployments, they share a common synoptic-scale meteorology and seasonal variability with lowest wind speeds in July and August. Time series of power production from the on- and offshore location are highly spatially correlated with the Spearman rank correlation coefficient dropping below 0.4 for separation distances of approximately 350 km. Hence careful planning of on- and offshore wind farms (i.e., separation of major plants by > 350 km) can be used reduce the system-wide probability of low wind energy power production. Energy density at 150 m height at the offshore buoys is more than 40 % higher, and the Weibull scale parameter is 2 m s−1 higher than at all but one of the land sites. Analyses of power production time series indicate annual energy production is almost twice as high for the two offshore locations. Further, electrical power production quality is higher from the offshore sites that exhibit a lower amplitude of diurnal variability, plus a lower probability of wind speeds below the cut-in and of ramp events of any magnitude. Despite this and the higher resource, the estimated levelized cost of energy (LCoE) is higher from the offshore sites mainly due to the higher infrastructure costs. Nonetheless, the projected LCoE is highly competitive from all sites considered.

Foody, Rebecca↗

Improved perfect-fluid energy-momentum tensor with spin in Einstein-Cartan space-time

The description of the spin given here is classical in that it is intrinsic but not quantized. The approach in this matter is similar to, for example, the work of Bailey and Israel (1973, 1975, 1979), where the fluid particles, which have intrinsic spin, may be galaxies or clusters of galaxies. The elementary particles of these objects and the 'ferromagnetic alignment' of their quantum spins are not resorted to in order to describe a fluid with spin. Physically this means that the equation of motion for the spin tensor is a modified Fermi-Walker transport equation (Misner et al., 1973), arising as a direct result of the inclusion of spin as an intrinsic variable in the thermodynamic description of the internal energy. The variables in this description are classical variables throughout and are not microscopic fields. An improved perfect-fluid energy-momentum tensor that includes spin and torsion is presented. Use is made of a Lagrangian variational principle based on the tetrad formalism of Halbwach (1960) and the method od constraints of Ray (1972).

Ray, J. R.↗

Modeled Results of Four Residential Energy Efficiency Measure Packages for Deriving Advanced Building Construction Research Targets

The Advanced Building Construction (ABC) Initiative from the U.S. Department of Energy Building Technologies Office is working to accelerate industrialized construction innovations for decarbonizing buildings. To inform performance and cost targets for research under the ABC Initiative, this analysis used the ResStock™ tool to evaluate the energy savings, utility bill impacts, and carbon emissions impacts of four simulated upgrade packages with specific target performance levels on a large sample of residential dwelling units (approximately 550,000) representative of the U.S. housing stock.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Benchmarking boron carbide equation of state using computation and experiment

Boron carbide ( B 4 C ) is of both fundamental scientific and practical interest due to its structural complexity and how it changes upon compression, as well as its many industrial uses and potential for use in inertial confinement fusion (ICF) and high-energy density physics experiments. Here, we report the results of a comprehensive computational study of the equation of state (EOS) of B 4 C in the liquid, warm dense matter, and plasma phases. Our calculations are cross-validated by comparisons with Hugoniot measurements up to 61 megabar from planar shock experiments performed at the National Ignition Facility (NIF). Our computational methods include path integral Monte Carlo, activity expansion, as well as all-electron Green's function Korringa-Kohn-Rostoker and molecular dynamics that are both based on density functional theory. We calculate the pressure-internal energy EOS of B 4 C over a broad range of temperatures ( ~ 6 × 10 3 – 5 × 10 8 K) and densities (0.025–50 g / cm 3 ). We assess that the largest discrepancies between theoretical predictions are ≲ 5 % near the compression maximum at 1– 2 × 10 6 K. This is the warm-dense state in which the K shell significantly ionizes and has posed grand challenges to theory and experiment. By comparing with different EOS models, we find a Purgatorio model (LEOS 2122) that agrees with our calculations. The maximum discrepancies in pressure between our first-principles predictions and LEOS 2122 are ~ 18 % and occur at temperatures between 6 × 10 3 – 2 × 10 5 K, which we believe originate from differences in the ion thermal term and the cold curve that are modeled in LEOS 2122 in comparison with our first-principles calculations. To account for potential differences in the ion thermal term, we have developed three new equation-of-state models that are consistent with theoretical calculations and experiment. We apply these new models to 1D hydrodynamic simulations of a polar direct-drive NIF implosion, demonstrating that these new models are now available for future ICF design studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Enhancing two-photon spontaneous emission in rare earths using graphene and graphene nanoribbons

The enhancement of two-photon spontaneous emission (2PSE) from trivalent and divalent rare earth ions in proximity to graphene and graphene nanoribbons is calculated for achievable experimental conditions using a combination of finite difference time domain simulations and direct computation of transition rates between energy levels in rare earths. For Er 3+ , we find that the 2PSE rate is initially 8 orders lower than the single-photon spontaneous emission rate but that, with enhancement, 2PSE can reach 2.5% of the overall decay. When graphene nanoribbons are used, we also show that the emission of free-space photon pairs from Er 3+ at 3–3.2 μ⁢m via 2PSE can be increased by ~400. Our calculations show significantly less relative graphene-enhanced 2PSE than previous works, and we attribute this variation to differences in emitter size and assumed graphene mobility. Here, we also show that the internal energy structure of the ion can have an impact on the degree of 2PSE enhancement achievable and find that divalent rare earths are more favorable.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Loads assessment of a fixed-bottom offshore wind farm with wake steering

Wake steering via deliberate yaw offset is an emerging wind farm control technique that has the potential to mitigate wake losses and further increase wind farm energy yield. The loads impact of this technique has been studied, but there is limited insight into wind-farm-wide impacts of wake steering. Understanding such impacts is crucial to determining the feasibility of using wake steering in commercial wind farms. To that end, this work investigates the impacts of wake steering on the loads of all turbine components across all turbines in a wind farm operating under a broad set of inflow conditions, including inflow velocity, shear exponent, turbulence class, and inflow angle. This was done by performing FAST.Farm simulations of a 12-turbine wind farm array, excerpted from a larger hypothetical wind farm. The International Energy Agency Wind 15-MW reference wind turbine was modeled atop a monopile substructure, an open-source model that closely approximates the properties of similar commercial options. Wake steering was included via yaw offsets that were computed using an offline optimization with the National Renewable Energy Laboratory tool FLORIS. For each inflow case, the 12-turbine array was simulated with and without wake steering. Results were compared in terms of time-averaged means, standard deviations, ultimate loads, and damage-equivalent loads. The findings show that because wake steering is generally applied at rated wind speeds and below, it is unlikely to drive ultimate loads. For fatigue loads, wake steering does increase the overall fatigue accumulation for some load channels, such as blade-root and shaft bending. This is to be expected when overall power yield increases but may cause the damage accumulation to be more uniform throughout the array. The significance of the added fatigue loading is dependent on how frequent wake steering is utilized in the overall set of inflow conditions across the wind rose.

17 WIND ENERGY↗

Model comparisons for two-temperature plasma equations of state

When a plasma is generated in the laboratory, energy is often deposited preferentially into either the electrons or the ions, giving rise to a quasiequilibrium state in which the two species, electrons and ions, are well described by two effective temperatures, T e and T i . Accurate hydrodynamic modeling of such a two-temperature plasma requires an equation of state that captures the relevant many-body physics without assuming a strict local thermodynamic equilibrium. Several models have been proposed within the literature, which extend conventional statistical approaches, each employing a different combination of assumptions for modifying the equilibrium equations. Here, in this work, we compare the predictions for several models, presenting derivations of the internal energy and pressure for each microscopic model within a unified framework so that the assumptions of each model may be more easily compared to one another. We find that for sufficiently weak coupling, all models agree with one another. However, as the coupling strength is increased, the disagreement between the models becomes more pronounced. Moreover, the relative sizes of the corrections predicted by each model depend on which species has the higher temperature, T e >T i vs T e < T i .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The Wind Turbine Rotors of the Future: A Research Agenda from the Big Adaptive Rotor Project

This white paper outlines a roadmap to inform future research efforts around the wind turbine rotors of the future. The document is authored by researchers that have been working on the Big Adaptive Rotor (BAR) and related initiatives at the National Renewable Energy Laboratory and Sandia National Laboratories. The Wind Energy Technologies Office of the U.S. Department of Energy has been funding BAR since 2018. The learnings from BAR have been documented in dozens of publications. This new paper identifies unresolved critical challenges in wind turbine rotor technology and structures them in four large topic areas: 1. Predictive and validated numerical tools. 2. Design methods and standards. 3. Improvements in manufacturing. 4. Technological innovations. Although wind turbines have not changed in their core architecture, with the market almost entirely dominated by three-bladed upwind rotors, a vast amount of research has allowed to introduce technological innovations resulting in a reduction in levelized cost of energy that made wind competitive with all traditional sources of electricity. Focusing on the rotor, blades will keep following the trend of mass and stiffness reduction, will adopt segmentation, and will keep growing in length, both land-based and offshore. To support this continuous innovation, this white paper argues that research efforts in rotor technology at the national labs are best directed to the first three topic areas and to low technology-readiness-levels (1-3) innovations, leaving the task of implementing higher-TRL (4-9) technological innovations to industry stakeholders. This research roadmap is also well aligned with the upcoming roadmap defined during the International Energy Agency 109th Topical Expert Meeting on the Grand Challenges of Wind Energy.

17 WIND ENERGY↗

Atomistic modeling of energy band alignment in CdTe(1 0 0) and CdTe(1 1 1) surfaces

An atomic-scale perspective of energy band alignment in CdTe surfaces has not been spatially studied despite the major role surfaces play in forming interfaces within CdTe-based thin film photovoltaic devices. Atomistic modeling based on density functional theory coupled with surface Green’s function is used for calculating energy band alignment of CdTe surfaces. The CdTe(1 0 0) ((1×1) and c(2×2) reconstruction) and CdTe(1 1 1) ((1×1) and (2×2) reconstruction) facets without and with surface relaxation provide insightful band bending characteristics that influence charge carrier transport. Results show that unrelaxed (1×1) CdTe(1 0 0) and CdTe(1 1 1) surfaces bend the valence band downward with surface polarity dictating the surface potential magnitude. The reconstructed CdTe(1 0 0) c(2×2) and CdTe(1 1 1) (2×2) surfaces result in favorable surface electronic features in relation to their unreconstructed variants. In addition, the structurally relaxed CdTe(1 1 1) surfaces develop an internal energy cusp potential that may enhance hole charge transport toward the back of CdTe solar cell devices. In conclusion, energy band alignments calculated within the study lead to a detailed understanding of how CdTe surfaces may affect CdTe-based thin film photovoltaic applications.

36 MATERIALS SCIENCE↗

Enforcing detailed balance in the Borgnakke–Larsen redistribution method with temperature dependent relaxation models

For decades, it has been observed that the commonly used Borgnakke–Larsen method for energy redistribution in Direct Simulation Monte Carlo codes fails to satisfy the principle of detailed balance when coupled to a wide variety of temperature dependent relaxation models, while seemingly satisfying detailed balance when coupled to others. Many attempts have been made to remedy the issue, yet much ambiguity remains, and no consensus appears in the literature regarding the root cause of the intermittent compatibility of the Borgnakke–Larsen method with temperature dependent relaxation models. This paper alleviates that ambiguity by presenting a rigorous theoretical derivation of the Borgnakke–Larsen method's requirement for satisfying detailed balance. Specifically, it is shown that the Borgnakke–Larsen method maintains detailed balance if and only if the probability of internal-energy exchange during a collision depends only on collision invariants (e.g., total energy). Here, the consequences of this result are explored in the context of several published definitions of relaxation temperature, including translational, total, and cell-averaged temperatures. Of particular note, it is shown that cell-averaged temperatures, which have been widely discussed in the literature as a way to ensure equilibrium is reached, also fail in a similar, although less dramatic, fashion when the aforementioned relationship is not enforced. The developed theory can be used when implementing existing or new relaxation models and will ensure that detailed balance is satisfied.

74 ATOMIC AND MOLECULAR PHYSICS↗

Higher-order nonequilibrium term: Effective power density quantifying evolution towards or away from local thermodynamic equilibrium

A common approach to assess the nature of energy conversion in a classical fluid or plasma is to compare power densities of the various possible energy conversion mechanisms. A leading research area is quantifying energy conversion for systems that are not in local thermodynamic equilibrium (LTE), as is common in a number of fluid and plasma systems. Here we introduce the “higher-order nonequilibrium term” (HORNET) effective power density, which quantifies the rate of change of departure of a phase space density from LTE. It has dimensions of power density, which allows for quantitative comparisons with standard power densities. We employ particle-in-cell simulations to calculate HORNET during two processes, magnetic reconnection and decaying kinetic turbulence in collisionless magnetized plasmas, that inherently produce non-LTE effects. We investigate the spatial variation of HORNET and the time evolution of its spatial average. By comparing HORNET with power densities describing changes to the internal energy (pressure dilatation, Pi − D , and divergence of the vector heat flux density), we find that HORNET can be a significant fraction of these other measures (8% and 35% for electrons and ions, respectively, for reconnection; up to 67% for both electrons and ions for turbulence), meaning evolution of the system towards or away from LTE can be dynamically important. Applications to numerous plasma phenomena are discussed. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Near-continuum, hypersonic oxygen flow over a double cone simulated by direct simulation Monte Carlo informed from quantum chemistry

A large-scale, fully resolved direct simulation Monte Carlo (DSMC) computation of a non-equilibrium, reactive flow of pure oxygen over a double cone is presented. Under the simulated near-continuum conditions, the computational demands are shown to be significant because of the wide range of length scales that must be resolved. Therefore, robust grid adaption capabilities and efficient parallelization of the Stochastic PArallel Rarefied-gas Time-accurate Analyzer (SPARTA) code that is utilized in this work are essential. The thermochemical and transport collision models were selected for efficiency and simplicity. First-principles data, obtained from the highly accurate direct molecular simulation method, were used to inform the collision models’ parameters. Importantly, because SPARTA implements molecular collision models using collision-specific energies, the resulting macroscopic relaxation rates were evaluated a posteriori via zero-dimensional heat bath simulations. The comparisons of surface properties, namely heat flux and pressure, show very close agreement with previous computational fluid dynamics (CFD) results. Differences with the measurements were found to be similar to the CFD simulations. The unresolved discrepancy with the measurements could be due to inconsistent free stream conditions with the actual experimental data or missing physical phenomena altogether, for example atomic and molecular oxygen electronically excited states, three-dimensional effects, or more complex gas–surface interactions. As shown in this work, the advantages of obtaining a DSMC particle solution for these flows reside in the method's ability to be directly informed from first principles and to seamlessly describe internal energy non-equilibrium for all modes. With the advent of exascale computing and beyond, particle methods will be an increasingly important tool to verify the validity of physical assumptions in reduced-order models via fully resolved, experimental-scale simulations, down to the level of molecular-level distributions.

Mechanics↗

Developing a Composite Vacuum Insulated Panel (VIP) Insulation/Vinyl Siding Composite Technology for Retrofitting Residential Walls

This paper reports on a project that has attempted to seize on an opportunity to take a giant leap forward in commercializing a technology that would address a key opportunity to achieve energy savings in the existing residential housing stock. It is typically very difficult to increase the R-value of the walls in existing residential housing as doing so from the inside is disruptive and there have not been good solutions to increase thermal envelope performance from the exterior through adding continuous insulation due to the additional work required to fit existing architectural features to the new wall thickness and to reclad the façade. A high thermal resistivity or R-value per inch product that can be used in these applications offers an excellent solution.This paper summarizes a three-year research project to a produce vacuum insulated panel (VIP)/vinyl siding that would have sufficient R-value to meet the continuous insulation requirements of the 2018 International Energy Conservation Code (IECC, 2018) in all climate zones and has a much thinner profile that will facilitate its application to existing residential homes without the need for expensive retrimming of the architectural details. The paper will supply information on the development of the technology, its thermal modelling, testing, voice of user sessions to solicit input from architects, designers, manufacturers, contractors, and installers, and a techno-economic analysis to gauge its competitiveness with existing product options.

Desjarlais, Andre Omer↗