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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The Baker-Coon-Romans N -point amplitude and an exact field theory limit of the Coon amplitude

We study the N-point Coon amplitude discovered first by Baker and Coon in the 1970s and then again independently by Romans in the 1980s. This Baker-Coon-Romans (BCR) amplitude retains several properties of tree-level string amplitudes, namely duality and factorization, with a q-deformed version of the string spectrum. Although the formula for the N-point BCR amplitude is only valid for q > 1, the four-point case admits a straightforward extension to all q ≥ 0 which reproduces the usual expression for the four-point Coon amplitude. At five points, there are inconsistencies with factorization when pushing q < 1. Despite these issues, we find a new relation between the five-point BCR amplitude and Cheung and Remmen’s four-point basic hypergeometric amplitude, placing the latter within the broader family of Coon amplitudes. Finally, we compute the q → ∞ limit of the N-point BCR amplitudes and discover an exact correspondence between these amplitudes and the field theory amplitudes of a scalar transforming in the adjoint representation of a global symmetry group with an infinite set of non-derivative single-trace interaction terms. This correspondence at q = ∞ is the first definitive realization of the Coon amplitude (in any limit) from a field theory described by an explicit Lagrangian.

1/N Expansion↗
DOE OSTI2025

All-order splits and multi-soft limits for particle and string amplitudes

The most important aspects of scattering amplitudes have long been thought to be associated with their poles. But recently a very different sort of “split” factorizations for a wide range of particle and string tree amplitudes have been discovered away from poles. In this paper, we give a simple, conceptual origin for these splits arising from natural properties of the binary geometry of the curve integral formulation for scattering amplitudes for Tr(Φ 3 ) theory. The most natural way of “joining” smaller surfaces to build larger ones directly produces a choice of kinematics for which higher amplitudes factor into lower ones. This gives a generalization of splits to all orders in the topological expansion. These splits allow us to access and compute loop-integrated multi-soft limits for particle and string amplitudes, at all loop orders. This includes split factorizations and multisoft limits for pion and gluon amplitudes, that are related to Tr(Φ 3 ) theory by a simple kinematical shift.

Bosonic Strings↗
DOE OSTI2021

The continuum and leading twist limits of parton distribution functions in lattice QCD

In this study, we present continuum limit results for the unpolarized parton distribution function of the nucleon computed in lattice QCD. This study is the first continuum limit using the pseudo-PDF approach with Short Distance Factorization for factorizing lattice QCD calculable matrix elements. Our findings are also compared with the pertinent phenomenological determinations. Inter alia, we are employing the summation Generalized Eigenvalue Problem (sGEVP) technique in order to optimize our control over the excited state contamination which can be one of the most serious systematic errors in this type of calculations. A crucial novel ingredient of our analysis is the parameterization of systematic errors using Jacobi polynomials to characterize and remove both lattice spacing and higher twist contaminations, as well as the leading twist distribution. This method can be expanded in further studies to remove all other systematic errors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Development of limited-view tomography for measurement of Spray G plume direction and liquid volume fraction

Abstract The method for direct injection of fuel in the cylinder of an IC engines is important to high-efficiency and low-emission performance. Optical spray diagnostics plays an important role in understanding plume movement and interaction for multi-hole injectors, and providing baseline understanding used for computational optimization of fuel delivery. Traditional planar or line-of-sight diagnostics fail to capture the liquid distribution because of optical thickness concerns. This work proposes a high-speed (67 kHz) extinction imaging technique at various injector rotations coupled to computed tomography (CT) for time-resolved reconstruction of liquid volume fraction in three dimensions. The number of views selected and processing were based on synthetic (modeled) liquid volume fraction data where extinction and CT adequately reconstructed each plume. The exercise showed that for an 8-hole, symmetric-design injector (ECN Spray G), only three different views are enough to reproduce the direction of each plume, and particularly the mean plume direction. Therefore, the number of views was minimized for experiments to save expense. Measurements applying this limited-view technique confirm plume–plume variations also detected with mechanical patternation, while providing better spatial and temporal resolution than achieved previously. Uncertainties due to the limited view within pressurized spray chambers, the droplet size, and optically thick regions are discussed. Graphic abstract

42 ENGINEERING↗
DOE OSTI2022

Minerals limit the deep soil respiration response to warming in a tropical Andisol

Tropical regions hold one third of the world’s soil organic carbon, but few experiments have warmed tropical soils in situ. The vulnerability of these soils to climate change-induced losses is uncertain with many hypothesizing these soils would be less sensitive to climate change because already-high temperatures in tropical systems might limit microbial sensitivity or due to increased mineral protection of organic carbon in highly weathered tropical soils. Here we present the results of a deep soil (0–100 cm) warming experiment in a tropical Andisol. Andisols can store large, persistent pools of soil carbon that are protected from decomposition by poorly and non-crystalline minerals (PNCM). In 20 cm depth intervals, we measured key soil properties including carbon, nitrogen, pH, PNCM, bacterial and fungal richness along with temperature, moisture, and CO 2 production. Over a year of soil warming, CO 2 production significantly increased by 50–300% per degree of warming, but only in the top 40 cm of the soil profile in contrast to the results of other deep soil warming experiments. Multimodal analysis supported our hypothesis that high concentrations of PNCM was the primary driver of the lack of CO 2 response, followed by high relative soil moisture and low bacterial richness, which may be a proxy for organic carbon availability. The lack of elevated CO 2 production in response to warming suggests a limited positive feedback to climate change in Andisols driven by their strong mineral protection of organic matter. Therefore, Andisols should be considered high priority restoration or protection areas when considering the management of soil carbon stocks as part of climate action.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Linkage map construction using limited parental genotypic information

Abstract Genetic linkage maps based on single nucleotide polymorphisms (SNPs) represent an essential tool for a variety of genomic analyses. Today, next-generation sequencing (NGS) enables rapid genotyping of different mapping populations based on thousands of SNPs and the construction of highly saturated linkage maps. Nevertheless, missing data in the genotyping of the parental lines creates a bottleneck that determines the number of SNPs that can be used for the linkage map. As a proof of concept, a highly saturated genetic linkage map was constructed using the imputed genotypic data of a recombinant inbred line (RIL) population and the limited genotypic information of its parental lines. Two ABH genotype files were created from a pseudo-parental genotypic data set that includes all the SNPs present in the RIL population. In the first ABH file pseudo-parental 1 was considered parental A, while in the second pseudo-parental 1 was considered parental B. These two duplicate ABH genotype files were merged by chromosome and subjected to linkage map analysis. Since the ABH data were duplicated, two mirrored linkage groups were generated per chromosome. The correct linkage map was identified and selected based on the partial genotypic data of the parental lines. This strategy was effective for constructing a highly saturated linkage map of 33,421 SNPs based on the genotyping of 205 RILs and a limited number of 100 SNPs present in the parental lines. This strategy enables the use of all the NGS SNP data obtained from a low-coverage sequencing experiment in the mapping population.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Dislocation-Limited Thermal Conductivity in LiF: Revisiting Perturbative Models

We revisit models to describe phonon-dislocation interactions and resulting dislocation-limited thermal conductivity (k), particularly as applied to describe the temperature-dependent k behavior of LiF with significant dislocation densities. Coupling semiempirical models of phonon scattering from dislocation strain fields provided by Klemens and Carruthers with density functional theory description of the phonons and input parameters, we find that both models significantly overpredict the measured k of LiF, as found previously. However, more direct application of the quantum perturbation theory description, from which the models were derived, gives significantly stronger phonon-dislocation scattering and strongly underpredicts the measured k data. We revisit the derivation of phonon-dislocation-strain field scattering and provide numerical details regarding its implementation. This work demonstrates that quantum perturbative calculations, now accessible to modern computational architectures, may provide a reasonable description of dislocation-limited k in materials as governed by phonon-strain field interactions provided that questions regarding the relevant strain field range can be resolved.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Recalibrating Best Practices, Challenges, and Limitations of Estimating Tree Transpiration Via Sap Flow

Purpose: Transpiration dominates hydrologic fluxes from terrestrial ecosystems to the atmosphere. Sap flow is the most widely used method to quantify transpiration, and calibrations can improve the accuracy of these estimates. Despite numerous suggestions to perform and apply sap flow calibrations, seemingly few reports apply these recommendations. Here, we sought to determine the prevalence of calibration across sap flow methodology. Recent Findings: In this work, we reviewed tree sap flow literature over the past nine years and determined that only 5.3% of these publications documented the performance of calibrations, the application of coefficients from previous calibrations, or the application of correction factors using calibration data to ensure or improve accuracy of transpiration estimates. These data indicate that calibration has not been adopted as a best practice. However, these data may also reflect challenges to the performance and application of calibration indicating fundamental limitations of sap flow methods. Summary: We highlight the need for testing critical assumptions regarding calibration; specifically, that coefficients derived from calibrations on small stems are suitable for application to large stems and that different calibration approaches yield similar transpiration estimates. We encourage researchers to adopt calibration as a best practice for sap flow data and to explain how calibration was performed, how calibration data were applied, and to acknowledge and justify circumstances that preclude or do not necessitate calibration. Without the adoption of calibration and an improved understanding of its limitations, our understanding of transpiration and ability to quantify it using this technology will remain inadequate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Grain boundary segregation beyond the dilute limit: Separating the two contributions of site spectrality and solute interactions

Solute segregation at grain boundaries (GBs) is known to have a profound impact on material properties, and as such is becoming routinely used as an element in alloy design. Beyond the dilute limit, the extent of solute GB segregation is known to be concentration dependent. Using hybrid Monte Carlo/Molecular Statics simulations of Mg segregation in Al, in this work we decouple the two contributions to this composition dependence: (i) spectrality of atomic environments at the boundary and (ii) solute-solute interactions. Although only contribution (ii) is typically considered in the literature, we argue that both contributions are equally important to understand concentration dependence and correctly quantify GB solute segregation in a binary alloy. Finally, a thermodynamic segregation isotherm is outlined that accounts for both the spectrality of grain boundary sites and solute-solute interactions. Unlike classical isotherms like those of McLean or Fowler-Guggenheim, which can be successfully fitted to GB segregation data only over a limited range of composition and temperature, our proposed model is shown to be accurate across the composition-temperature space.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dual-module humidity pump for efficient air dehumidification: Demonstration and performance limitations

Condensation dehumidification in conventional air conditioning technologies is energy-intensive, accounting for up to 50% of building cooling energy used in some climates. Selective vacuum membrane dehumidification (VMD) is one of the leading alternative dehumidification technologies due to its potential for significant energy savings, and the “dual-module humidity pump” is one of the most promising VMD concepts. Here, this work is the first to provide experimental proof-of-concept for the dual-module humidity pump system and provides the first thermodynamic modeling framework that accounts for realistic steady-state operating limitations, both of which are lacking in the current literature. Additionally, this work is the first to provide a system design solution that overcomes practical challenges associated with air accumulation in the vacuum channels. The experimental results in this work show that the current prototype can remove up to 45% of the water vapor in the air stream, and the vapor pressure difference in the vapor rejection module needs to be approximately 2–4 times greater than that of the dehumidification module in order to maintain balanced mass transfer. The thermodynamic model applied to typical air conditioning conditions shows that the ideal dehumidification (latent) COPs can reach up to 40, but practical COPs are limited to approximately 10. Furthermore, the model shows that the overall energy efficiency increases as the membrane air selectivity increases, though this improvement gradually starts to diminish when the membrane selectivity is increased above 10,000.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Overcoming geometric limitations in metallic glasses through stretch blow molding

Bulk metallic glasses (BMGs) exhibit remarkable mechanical properties, such as high strength and elasticity, which is often paired with fracture toughness. Their supercooled liquid region gives rise to plastic-like processing and suggests parts and shapes that can otherwise not be obtained for crystalline metals. However, current processing techniques only allow for limited options in terms of geometry, thicknesses uniformity, and shape complexity. Here we introduce a new processing technique, “stretch blow molding,” to expand the range of possible parts and increase the available geometries that can be fabricated with BMGs. Additionally, a model is derived that allows for the quantification and prediction of stretch blow molding and provides insight into its potential use and limitations. We demonstrate that with stretch blow molding overall strains exceeding 2000% are achievable, compared to the previously reported ~150% of blow molding. With the ability to stretch blow mold shapes that were previously unachievable with any other metal fabrication technique in a fast and economical manner, and the superb properties of BMGs, we look forward to a broad commercial adaptation of this technique.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A hybrid cyt c maturation system enhances the bioelectrical performance of engineered Escherichia coli by improving the rate-limiting step

Bioelectronic devices can use electron flux to enable communication between biotic components and abiotic electrodes. We have modified Escherichia coli to electrically interact with electrodes by expressing the cytochrome c from Shewanella oneidensis MR-1. However, we observe inefficient electrical performance, which we hypothesize is due to the limited compatibility of the E. coli cytochrome c maturation (Ccm) systems with MR-1 cytochrome c. Here we test whether the bioelectronic performance of E. coli can be improved by constructing hybrid Ccm systems containing protein domains from both E. coli and S. oneidensis MR-1. The hybrid CcmH increased cytochrome c expression by increasing the abundance of CymA 60%, while only slightly changing the abundance of the other cytochromes c. Electrochemical measurements showed that the overall current from the hybrid ccm strain increased 121% relative to the wildtype ccm strain, with an electron flux per cell of 12.3 ± 0.3 fA·cell -1 . Additionally, the hybrid ccm strain doubled its electrical response with the addition of exogenous flavin, and quantitative analysis of this demonstrates CymA is the rate-limiting step in this electron conduit. These results demonstrate that this hybrid Ccm system can enhance the bioelectrical performance of the cyt c expressing E. coli, allowing the construction of more efficient bioelectronic devices.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Rate Limiting Regimes in Photochemical H2 Generation by Complexes of Colloidal CdS Nanorods and Hydrogenase

Driving redox enzyme catalysis with photoexcited semiconductor nanocrystals is a compelling approach for chemical conversion. We examined how the interplay of the many chemical steps involved determines the rates of photochemical H2 production with complexes of colloidal CdS nanorods and an [FeFe]-hydrogenase. We elucidated the roles of three critical and previously elusive processes-scavenging of photoexcited holes from nanorods, back-electron transfer, and H2 oxidation. Kinetic Monte Carlo simulations and fitting to experimental data revealed that hole transfer becomes the rate-limiting step at high illumination intensities. Comparisons of simulations to experimental H2 production showed that both back-electron transfer and H2 oxidation play an efficiency-limiting role at high catalyst loadings. This work provides guiding principles for tuning experimental parameters to minimize energy-wasting pathways and optimize photochemical product formation. More broadly, we demonstrate how critical but elusive chemical steps in photochemical reactions can be probed with a combination of experiments and simulations.

08 HYDROGEN↗
DOE OSTI2023

Lower and upper threshold limit for artificial neural network based chilled and condenser water temperatures set-point control in a chilled water system

In this study, an ANN (artificial neural network) based real-time optimized control algorithm for a chilled water cooling system was developed and applied in an actual building to analyze its cooling energy saving effects through in-situ application and actual measurements. For this purpose, the cooling tower’s CndWT (condenser water temperature) and the chiller’s ChWT (chilled water temperature) were set as system control variables. To evaluate algorithm performance, the electric consumption and the COP (coefficient of performance) were compared and analyzed when ChWT and CndWTs were controlled conventionally and controlled based on the ANN. During the analysis, unexpected abnormal data was observed due to insufficient training data and limited consideration of OWBT (outdoor air wet-bulb temperature) when determining the CndWT set-point. Therefore, it is necessary to further build training data from a wider range of conditions and to set the lower limit of CndWT set-point to at least +3.6 °C above OWBT when the OWBT is higher than 23 °C, so that further energy savings can be achieved.

42 ENGINEERING↗
DOE OSTI2021

A statistical mechanics approach to macroscopic limits of car-following traffic dynamics

Herein we study the derivation of macroscopic traffic models from car-following vehicle dynamics by means of hydrodynamic limits of an Enskog-type kinetic description. We consider the superposition of Follow-the-Leader (FTL) interactions and relaxation towards a traffic-dependent Optimal Velocity (OV) and we show that the resulting macroscopic models depend on the relative frequency between these two microscopic processes. If FTL interactions dominate then one gets an inhomogeneous Aw–Rascle–Zhang model, whose (pseudo) pressure and stability of the uniform flow are precisely defined by some features of the microscopic FTL and OV dynamics. Conversely, if the rate of OV relaxation is comparable to that of FTL interactions then one gets a Lighthill–Whitham–Richards model ruled only by the OV function. We further confirm these findings by means of numerical simulations of the particle system and the macroscopic models. Unlike other formally analogous results, our approach builds the macroscopic models as physical limits of particle dynamics rather than assessing the convergence of microscopic to macroscopic solutions under suitable numerical discretisations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Performance Analysis and Limiting Parameters of Cross-flow Membrane-based Liquid-desiccant Air Dehumidifiers

We report that to dehumidify a humid air stream, existing air conditioning (AC) systems substantially overcool the outdoor humid air below its dew point, thereby significantly reducing energy efficiency. Directly capturing humidity, membrane-based liquid-desiccant dehumidification systems separate sensible and latent cooling (SSLC) loads and thus offer a promising pathway for a high-performance AC solution. Design of an energy-efficient SSLC-AC system, however, rests largely on detailed understating of the dehumidification process. While some studies have identified the dehumidification process mainly depends on membrane characteristics, other studies have argued that the process is limited by desiccant liquid or alternatively air thermo-hydraulic physics for typical humid climate conditions. The present study examines performance and physics of the membrane-based liquid-desiccant dehumidification process over a wide range of climate conditions through a novel 3D, two-phase, multi-species CFD model. Decoupling the thermodynamic and hydraulic effects, the study reveals that the dehumidification rate is a linear function of the water vapor pressure potential ($J=α ΔP$) summarizing the system's thermodynamic state. The slope of the curve (i.e., α) depends on hydraulic transport characteristics of the membrane pores, air stream, and desiccant solution. More importantly, it was found that the air dehumidification process is mainly limited by the air-side transport physics for thin liquid-desiccant films and commonly used porous superhydrophobic membranes. Additionally, results show that, depending on ambient/desiccant conditions and physical dehumidifier characteristics, energy effectiveness and dehumidification rate vary from 13 to 34% and from 0.13 to 1.4 g m -2 s -1 , respectively. Therefore, the present study allows to efficiently design future SSLC-based AC systems exhibiting high performance energy metrics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Underlying limitations behind impedance rise and capacity fade of single crystalline Ni-rich cathodes synthesized via a molten-salt route

Layered oxide LiNi x Mn y Co z O 2 (NMC) cathodes are often synthesized as polycrystalline secondary particles. Due to intergranular fracture stemming from volume changes of randomly oriented primary particles during charge/discharge, the synthesis of larger single-crystalline cathodes is of high interest. In this work, molten salt assisted growth of micron-sized Ni-rich crystals is achieved with excellent crystallinity, low cation mixing, and negligible impurities. However, electrochemical performance is compromised by high surface reactivity resulting in decomposition of electrolyte and subsequent formation of a thick CEI layer. While intergranular fracture is eliminated, planar gliding and severe intragranular fracture along the (003) plane occurs in the high voltage region within the first few cycles and is associated primarily with H2 to H3 structural transitions. In addition, H2 to H3 transitions are highly irreversible with cyclic voltammograms revealing polarization growth within <5 cycles. Subsequently, the single-crystalline material exhibited markedly reduced available capacity and enhanced capacity fade from sharp impedance growth compared to its polycrystalline counterpart. Here, this work furthers a fundamental understanding into the limitations of single-crystalline Ni-rich cathodes, and the obstacles limiting the advantages offered by the single-crystalline morphology.

25 ENERGY STORAGE↗
DOE OSTI2022

Proper orthogonal decomposition based reduced-order modeling of flux-Limited gray thermal radiation

Here, in this work, a proper orthogonal decomposition (POD) based reduced-order model (ROM) is developed to solve gray, flux-limited thermal radiation diffusion. We focus on the variable opacity radiation penetration benchmark posed by Olson, Auer, and Hall. The T -3 relationship for opacity in conjunction with high-temperature radiation penetrating an initially cold material produces a strong thermal radiation shock. This class of problems is particularly challenging for standard POD-based reduced-order modeling due to the nonlinearities presented by 1) the T 4 source term, and 2) flux-limited diffusion operator. To address these challenges and develop a cost competitive ROM, we employ a “hyper-reduction” technique through discrete empirical interpolation (DEIM) and allow for adaptive reduced-order projections through principal interval decomposition (PID). Performance of the proposed methodology is quantified by comparing the cost savings and accuracy relative to a full-order computation. Reference solutions and snapshot data are obtained through a full-order calculation performed by the University of Chicago maintained astrophysics code, FLASH. For consistency and potential extensibility, the developed ROM is also implemented in FLASH. We find that in the initialization regime, where the thermal radiation wave is initially created by the warming of the material, this class of problems is highly reducible and suitable for POD-based ROMs. However, the strong convective nature of the wave propagation regime is less reducible and more challenging to create an efficient ROM.

42 ENGINEERING↗