Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “relationships”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Determining the Structure-Property Relationships of Quasi-Two-Dimensional Semiconductor Nanoplatelets.

We report a theoretical study of CdSe nanoplatelets aimed at identifying the main factors determining their photophysical properties. Using atomic configurations optimized with density functional theory calculations, we computed quasiparticle and exciton binding energies of nanoplatelets with two to seven monolayers. We employed many body perturbation theory at the GW level and solved the Bethe-Salpeter equation to obtain absorption spectra and excitonic properties. Our results, which agree well with recent experiments, were then used to design a model that allows us to disentangle the effects of quantum confinement, strain induced by passivating ligands, and dielectric environment on the electronic properties of nanoplatelets. We found that, for the model to accurately reproduce our first principle results, it is critical to account for surface stress and consider a finite potential barrier and energy-dependent effective masses when describing quantum confinement. Our findings call into question previous assumptions on the validity of an infinite barrier to describe carrier confinement in nanoplatelets, suggesting that it may be possible to optimize interfacial charge transfer and extraction by appropriately choosing passivating ligands. The model developed here is generalizable to core-shell platelets and enables the description of system sizes not yet directly treatable by first-principles calculations.

Greenwood, Arin R.↗
DOE OSTI2023

The Relationship between Ionic Conductivity and Solvation Structures of Localized High-Concentration Fluorinated Electrolytes for Lithium-Ion Batteries

Localized high concentration electrolyte (LHCE) combines a diluent with high concentration electrolyte (HCE), offering promising properties. The ions, solvent, and diluent interact to form a complex heterogenous liquid structure, where high salt concentration clusters are embedded in diluent. Optimizing LHCE for desired electrolyte properties like high ionic conductivity, low viscosity, effective solid electrolyte interphase (SEI) formability, within the vast chemical and compositional design space requires deeper understanding and theoretical guidance. For this work, we investigated the structures and conductivity of LHCEs based on a fluorinated solvent with two different diluents at varying concentrations. The 2,2,3,3-tetrafluoropropyl trifluoroacetate (TFPTFA) enters the solvation cluster due to its stronger Li-ion interactions, whereas 1,1,2,2-tetrafuoroethyl 2,2,2-trifuoroethyl ether (TFETFE) enters only at extremely high diluent concentrations. The ionic conductivity increases with decreasing diluent concentrations, with a slope change during cluster percolation. Overall, TFETFE demonstrates higher effectiveness than TFPTFA, forming higher local salt concentration clusters, and resulting in higher ionic conductivity.

cluster chemistry↗
DOE OSTI2025

Surprising Relationship between Silicon Anode Calendar Aging and Electrolyte Components in a Localized High-Concentration Electrolyte System

Although localized high-concentration electrolytes (LHCEs) have been shown to improve the calendar lifetime of silicon anodes, the roles of the electrolyte constituents in calendar aging are not well understood. Here, in this work, we utilize a voltage hold protocol and an LHCE with varying molar ratios of lithium bis(fluorosulfonyl)imide (LiFSI), tetramethylene sulfone (TMS), and 1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether (TTE) to probe the component roles during aging. Interestingly, the estimated calendar lifetime and irreversible lithium losses from the V-hold experiments are independent of the electrolyte formulations. Contrarily, the solid electrolyte interphase (SEI) composition depends on the electrolyte formulation. X-ray photoelectron spectroscopy shows that TMS-coordinated species decompose to form insoluble alkanes and lithium hydroxide (LiOH), while lithium fluoride (LiF) originates from the anion-coordination complex. The SEI composition does not appear to play a significant role in the silicon anode passivity, as measured by parasitic current, suggesting that the SEI-electrolyte interactions dictate the calendar aging mechanisms.

Si anode↗
DOE OSTI2022

Relationships between Cloud Droplet Spectral Relative Dispersion and Entrainment Rate and Their Impacting Factors

Cloud microphysical properties are significantly affected by entrainment and mixing processes. However, it is unclear how the entrainment rate affects the relative dispersion of cloud droplet size distribution. Previously, the relationship between relative dispersion and entrainment rate was found to be positive or negative. To reconcile the contrasting relationships, the Explicit Mixing Parcel Model is used to determine the underlying mechanisms. When evaporation is dominated by small droplets, and the entrained environmental air is further saturated during mixing, the relationship is negative. However, when the evaporation of big droplets is dominant, the relationship is positive. Whether or not the cloud condensation nuclei are considered in the entrained environmental air is a key factor as condensation on the entrained condensation nuclei is the main source of small droplets. However, if cloud condensation nuclei are not entrained, the relationship is positive. If cloud condensation nuclei are entrained, the relationship is dependent on many other factors. High vertical velocity, relative humidity of environmental air, liquid water content, and low droplet number concentration are more likely to cause the negative relationship since new saturation is easier to achieve by evaporation of small droplets. Further, the signs of the relationship are not strongly affected by the turbulence dissipation rate, but the higher dissipation rate causes the positive relationship more significant for a larger entrainment rate. A conceptual model is proposed to reconcile the contrasting relationships. This work enhances the understanding of relative dispersion and lays a foundation for the quantification of entrainment-mixing mechanisms.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

DancePartner: Python Package to Mine Multiomics Relationship Networks from Literature and Databases

A goal of multi-omics experiments is to understand how mechanistic molecular biology is altered between conditions, typically a control group and experimental groups. Oftentimes this involves studying changes in biomolecule relationships (e.g. interactions, metabolic relationships) of several types of biomolecules (e.g. proteins, lipids, metabolites). Though several databases contain relationships between biomolecules, understudied species may have little to no relationship information in databases and thus must be mined from literature. There are several challenges to literature mining, including automated full-text extraction, duplicate biomolecule term collapsing, and implementing complex machine learning tools. To make relationship extraction more accessible to the community, a python package called DancePartner was developed to allow for the extraction of relationships from literature and databases, with functions to map biomolecule synonyms to standardized identifiers and visualize and characterize the resulting multi-omics network. Here, in this study, an example dataset involving Caenorhabditis elegans is presented, where relationships are mined from 1443 publications using DancePartner. These relationships are combined with relationships from KEGG, WikiPathways, UniProt, and LipidMaps, and visualized.

BERT↗
DOE OSTI2021

TROPOMI observations allow for robust exploration of the relationship between solar-induced chlorophyll fluorescence and terrestrial gross primary production

Solar-induced chlorophyll fluorescence (SIF) observed by satellites has advanced the monitoring of terrestrial photosynthesis regionally and globally. The relationship between SIF and gross primary production (GPP) at leaf, canopy, and ecosystem scales has received tremendous attention in recent years. It remains controversial whether the SIF-GPP relationship at the ecosystem scale is universal or dependent upon vegetation type. New SIF observations from the TROPOspheric Monitoring Instrument (TROPOMI) with unprecedented high spatial and temporal resolution provide a new opportunity to elucidate the SIF-GPP relationship. Here, we examine the SIF-GPP relationship for seven major vegetation types across the U.S. with TROPOMI SIF and in-situ GPP data for 83 eddy covariance flux sites. We find that TROPOMI SIF shows a strong and consistent relationship with tower-based GPP at both satellite footprint and grid-cell levels. The slope of the SIF-GPP relationship is similar among all the vegetation types except croplands, demonstrating a nearly universal (converging to ~13.5 g C m -2 d -1 /W m -2 μm -1 sr -1) rather than vegetation type-specific SIF-GPP relationship. This confirms that TROPOMI SIF can be used as a proxy for GPP across a wide variety of vegetation types and can also be used to quantify GPP by avoiding uncertainty associated with land cover maps. The C 4 crops have a much higher slope than the C 3 crops, and therefore croplands tend to have a higher slope than C 3 -dominated vegetation types (e.g., forests, shrublands, savannas). We also find that the TROPOMI SIF is well correlated with GPP under normal or wetter conditions, while their relationship becomes weaker under water stress. In conclusion, our TROPOMI-based study could improve our understanding of the SIF-GPP relationship at the ecosystem scale and advance the mapping of GPP globally with SIF observations from space.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Varying Contributions of Drivers to the Relationship Between Canopy Photosynthesis and Far‐Red Sun‐Induced Fluorescence for Two Maize Sites at Different Temporal Scales

Abstract Sun‐induced fluorescence (SIF) has been found to be strongly correlated with gross primary production (GPP) in a quasi‐linear pattern at the scales beyond leaves. However, the causes of the GPP:SIF relationship deviating from a linear pattern remain unclear. In the current study conducted at two maize sites in Nebraska in 2017 summer growing season, we investigated the relationship between GPP and SIF at 760 nm (F 760 ) at two temporal scales and quantified the contributions of incoming photosynthetically active radiation (PAR in ), fraction of absorbed PAR (fPAR), light use efficiency (LUE), and F 760 yield (F 760,y , defined as F 760 /(PAR in ×fPAR)) to GPP and F 760 variabilities to further understand the linearity and deviations in the GPP:F 760 relationship. We found the following: (1) For individual growth stages when canopy structure and chlorophyll content were stable, GPP and F 760 were strongly controlled by PAR in , while LUE and F 760,y had much lower contributions to the GPP:F 760 relationship; during this period, LUE and F 760,y had either a slightly negative or no clear relationship, which explained some deviations in the GPP:SIF relationship. (2) At the seasonal scale, the contribution of LUE to GPP variability as well as the contribution of F 760,y to F 760 variability increased and was comparable to the contribution of PAR in ; the LUE:F 760,y relationship showed a strong linear relationship, which strengthened the linear GPP:F 760 relationship. Both maize sites showed similar patterns. A framework was applied to estimate LUE at individual stages and as a result, significantly improved the GPP estimation, thus enhancing the SIF potential for inferring photosynthesis.

Miao, Guofang↗
DOE OSTI2022

Attributing differences of solar-induced chlorophyll fluorescence (SIF)-gross primary production (GPP) relationships between two C4 crops: corn and miscanthus

There remains limited information to characterize the solar-induced chlorophyll fluorescence (SIF)-gross primary production (GPP) relationship in C4 cropping systems. The annual C4 crop corn and perennial C4 crop miscanthus differ in phenology, canopy structure and leaf physiology. Investigating the SIF-GPP relationships in these species could deepen our understanding of SIF-GPP relationships within C4 crops. Using in situ canopy SIF and GPP measurements for both species along with leaf-level measurements, we found considerable differences in the SIF-GPP relationships between corn and miscanthus, with a stronger SIF-GPP relationship and higher slope of SIF-GPP observed in corn compared to miscanthus. These differences were mainly caused by leaf physiology. For miscanthus, high non-photochemical quenching (NPQ) under high light, temperature and water vapor deficit (VPD) conditions caused a large decline of fluorescence yield (Φ F ), which further led to a SIF midday depression and weakened the SIF-GPP relationship. The larger slope in corn than miscanthus was mainly due to its higher GPP in mid-summer, largely attributed to the higher leaf photosynthesis and less NPQ. Furthermore, our results demonstrated variation of the SIF-GPP relationship within C4 crops and highlighted the importance of leaf physiology in determining canopy SIF behaviors and SIF-GPP relationships.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Prospective associations among relationship abuse, sexual harassment and bullying in a community sample of sexual minority and exclusively heterosexual youth

ABSTRACT Introduction Sexual minority youth (SMY) are at significantly greater risk for experiencing adolescent relationship abuse (ARA) than exclusively heterosexual youth, yet little is known about the factors that elevate their risks for such abuse. Peer victimization (i.e., bullying, sexual harassment) has been associated with ARA among heterosexual youth. SMY experience higher rates of peer victimization than heterosexual youth, suggesting that it may be a risk factor for ARA among these youth. Using longitudinal data from a community sample of adolescents recruited from the northeastern US, we examined whether sexual identity was associated prospectively with ARA, and whether that relationship would be indirect, and mediated via bullying and sexual harassment at a 12‐month follow‐up. We expected to find higher rates of peer victimization and ARA among SMY than heterosexual youth, and we expected that sexual harassment and bullying would predict subsequent relationship abuse. Methods Adolescents ( N = 800; 58% female; 81% European‐American; 19% SMY) between 13 and 15 years ( M = 14.45, SD = 0.85) completed a web survey at baseline, 6‐months and 12‐months. Results Consistent with prior studies, SMY reported higher rates of bullying, sexual harassment, and relationship abuse than heterosexual youth. SMY who reported sexual harassment at baseline were more likely to report relationship abuse over time. Contrary to our expectations, however, bully victimization did not predict subsequent relationship abuse. Conclusions Sexual harassment can be particularly harmful for SMY because it targets gender and sexual identity at a formative developmental period and puts youth at risk for relationship abuse.

Hequembourg, Amy L.↗
DOE OSTI2023

Can upscaling ground nadir SIF to eddy covariance footprint improve the relationship between SIF and GPP in croplands?

Ground solar-induced chlorophyll fluorescence (SIF) is important for the mechanistic understanding of the dynamics of vegetation gross primary production (GPP) at fine spatiotemporal scales. However, eddy covariance (EC) observations generally cover larger footprint areas than ground SIF observations (a bare fiber with nadir), and this footprint mismatch between nadir SIF and GPP could complicate the canopy SIF-GPP relationships. Here, we upscaled nadir SIF observations to EC footprint and investigated the change in SIF-GPP relationships after the upscaling in cropland. We included 13 site-years data in our study, with seven site-years corn, four site-years soybeans, and two site-years miscanthus, all located in the US Corn Belt. All sites’ crop nadir SIF observations collected from the automated FluoSpec2 system (a hemispheric-nadir system) were upscaled to the GPP footprint-based SIF using vegetation indices (VIs) calculated from high spatiotemporal satellite reflectance data. We found that SIF-GPP relationships were not substantially changed after upscaling nadir SIF to GPP footprint at our crop sites planted with corn, soybean, and miscanthus, with R 2 change after the upscaling ranging from -0.007 to 0.051 and root mean square error (RMSE) difference from -0.658 to 0.095 umol m –2 s –1 relative to original nadir SIF-GPP relationships across all the site-years. The variation of the SIF-GPP relationship within each species across different site-years was similar between the original nadir SIF and upscaled SIF. Different VIs, EC footprint models, and satellite data led to marginal differences in the SIF-GPP relationships when upscaling nadir SIF to EC footprint. Furthermore, our study provided a methodological framework to correct this spatial mismatch between ground nadir SIF and GPP observations for croplands and potentially for other ecosystems. Our results also demonstrated that the spatial mismatch between ground nadir SIF and GPP might not significantly affect the SIF-GPP relationship in cropland that are largely homogeneous.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Informing Robust Functional Relationship Benchmarks: An Evaluation of the Temperature Sensitivity of Ecosystem Respiration Across the Arctic-Boreal Region

During land model development, simulated carbon dynamics are often benchmarked against observational data sets to evaluate model performance. Functional relationship benchmarks are the relationship between a driving variable (e.g., temperature) and a response variable (e.g., ecosystem respiration) and are a promising tool for assessing model performance by evaluating modeled sensitivities to changing environmental conditions. However, observed functional relationships can be influenced by choices made during data collection and throughout the benchmarking process, impacting the inferred skill of land models. To avoid misrepresenting a model's true performance, it is necessary to systematically evaluate best practices when constructing functional relationship benchmarks. We developed a set of guidelines for constructing functional relationship benchmarks, considering the choice of data set, number of daily observations, temporal extent, and temporal resolution across Alaska and Canada over a 20-year period from 2001 to 2020. The temperature sensitivity of ecosystem respiration from observations, evaluated through an apparent Q 10 , is highly variable both spatially and as a result of the data processing approach applied in the benchmark formation. When benchmarking 13 models from the Warming Permafrost Model Intercomparison Project (WrPMIP), the range in inferred model skill is substantially impacted by the choices applied in constructing functional relationship benchmarks. The inferred performance of a given model is most sensitive to the number of daily observations and temporal extent, followed by choice of benchmark data set and temporal averaging. Results from this analysis can guide the development of consistent and robust functional relationships for future model evaluation studies.

Poe, Jeralyn [Northern Arizona University, Flagsta↗
DOE OSTI2025

Building a Collaborative Relationship between Contractor and Oversight at SRPPF

The success of Department of Energy (DOE) projects is dependent on a functional, healthy, and collaborative relationship between the contractor and the federal oversight. A healthy relationship marked by a collaborative mindset between these two groups, can facilitate better operational safety, operational efficiency, and regulatory compliance. This paper will explore aspects of such a relationship, the roles and responsibilities of the contractor and federal oversight, the present and historical relationships in the DOE complex, and best practices considered by the contractor and federal oversight used at the Savannah River Plutonium Processing Facility (SRPPF) at the Savannah River Site (SRS). Due to the current design phase of the SRPPF, the contractor and federal oversight have a unique opportunity to begin establishing a strong relationship early in the project’s life. As a result of this dynamic, the two groups have already demonstrated their ability to successfully respond to ongoing design issues. In general, a strong criticality safety program is beginning to mature for the SRPPF alongside a developing criticality safety federal oversight group. This paper will discuss the various factors that have brought about this collaborative relationship. Lastly, a case study will be incorporated into this paper demonstrating the ability of the SRPPF contractor and federal oversight to overcome challenges relating to the SRPPF project. This case study may guide groups around the DOE Complex to create better, more functional relationships between the two parties. The case study will provide a detailed description of the issue and parties involved, highlight the factors that allowed the group to overcome the challenge via effective collaboration, and the outcome of the event. Increasing collaboration may benefit the complex, as a whole, in order to meet the mission demands of the DOE.

collaboration↗
DOE OSTI2020

Relationships Between Precipitation Properties and Large-Scale Conditions During Subsidence at the Eastern North Atlantic Observatory

Three years of reanalysis and ground-based observations collected at the Eastern North Atlantic (ENA) observatory are analyzed to document the properties of rain and boundary layer clouds, and their relationship with the large-scale environment during general subsidence conditions and following cold front passages. Clouds in the wake of cold fronts exhibit on average a 10% higher propensity to precipitate and higher rain-to-cloud fraction than cloud found in general subsidence conditions. Similarities in the seasonal cycle of rain and of large-scale properties suggest that the large-scale conditions created by the cold front passage are responsible for the unique properties of the rain forming in its wake. The identification of monotonic relationships between rain-to-cloud fraction and rain rate with surface forcing and boundary layer stability parameters as well as between virga base height with stability and humidity measures further supports that large-scale conditions impact precipitation variability. Likewise, these relationships between the large-scale and rain properties are less clear than those established between cloud and rain properties suggesting that cloud macrophysics have a more direct impact on the properties of rain than the large-scale environment. The applicability of previously documented relationships between rain properties and cloud thickness is tested and the relationships adjusted to accommodate the complex shallow clouds and melting precipitation observed to occur in the ENA region. Furthermore, establishing these relationships opens up opportunities for parametrization development and suggest that a realistic representation of precipitation properties in models relies on the accurate representation of both clouds and the large-scale environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Physics-Informed Deep Neural Networks for Learning Parameters and Constitutive Relationships in Subsurface Flow Problems

In this paper, we present a physics informed deep neural network (DNN) method for estimating parameters and unknown physics (constitutive relationships) in partial differential equation (PDE) models. We use PDEs in addition to measurements to train DNNs to approximate unknown parameters and constitutive relationships as well as states. The proposed approach increases the accuracy of DNN approximations of partially known functions when a limited number of measurements is available and allows for training DNNs when no direct measurements of the functions of interest are available. We employ physics informed DNNs to estimate the unknown space-dependent diffusion coefficient in a linear diffusion equation and an unknown constitutive relationship in a non-linear diffusion equation. For the parameter estimation problem, we assume that partial measurements of the coefficient and states are available and demonstrate that under these conditions, the proposed method is more accurate than state-of-the-art methods. For the non-linear diffusion PDE model with a fully unknown constitutive relationship (i.e., no measurements of constitutive relationship are available), the physics informed DNN method can accurately estimate the non-linear constitutive relationship based on state measurements only. Finally, we demonstrate that the proposed method remains accurate in the presence of measurement noise.

42 ENGINEERING↗
DOE OSTI2024

Quantifying the Turbulent Entrainment‐Mixing Processes Based on Z ‐LWC Relationships of Cloud Droplets

Abstract Turbulent entrainment‐mixing processes profoundly influence the relationship between radar reflectivity factor and liquid water content ( Z ‐LWC) of cloud droplets. However, quantification of the entrainment‐mixing mechanisms based on the Z ‐LWC relationship is still lacking. To address this gap, 12,218 entrainment‐mixing cases are simulated using the Explicit Mixing Parcel Model. We examine the variations of the parameters in the power‐law relationship Z = a LWC b , and the relationship between parameter b and homogeneous mixing degree ( ψ ), a measure quantifying entrainment‐mixing processes. The results indicate that parameter b distributes within the range of 1–2, with a positive correlation between parameter b and ψ . The b ‐ ψ relationship is fitted, which connects the Z ‐LWC relationship for various entrainment‐mixing types. The results suggest the potential for employing a remote sensing approach to investigate the entrainment‐mixing mechanisms of non‐precipitating small cumulus/stratocumulus clouds, thereby overcoming the limitations of traditional observational studies that rely solely on aircraft observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Generalized Relationship Linking Water Balance and Vegetation Productivity across Site-to-Regional Scales

Evapotranspiration (ET) is a pivotal component in catchment-scale water balance and is essential for informed watershed management. Nevertheless, uncertainties in ET observation or modeling have been hindering effective water resources management. This study addresses this gap by establishing a robust, generalized linear relationship between ET and gross primary productivity (GPP) at the catchment scale. We test the linearity of the relationships between monthly GPP and ET data at 380 near-natural catchments across various climatic and landscape conditions in the contiguous U.S., yielding Pearson’s r ≥ 0.6 for 97% of the 380 catchments. We then develop a regionalization strategy to parameterize this GPP-ET relationship at the catchment scale by identifying and utilizing the linkages between the parameter values and extensively available hydroclimatic and landscape data. We demonstrate the efficacy of the proposed GPP-ET relationship and parameter regionalization strategy by their combined predictive capacity, where the predicted monthly GPP matches well with remote-sensing-based GPP product, achieving Kling-Gupta Efficient (KGE) values ≥ 0.5 for 92% of the catchments. In addition, we verify the relationship and its parameter regionalization at 35 AmeriFlux sites with KGE ≥ 0.5 for 25 sites, suggesting that the new relationship is transferable across the site, catchment, and regional scales. Furthermore, our findings are valuable for improving remote-sensing-based estimation of monthly ET and diagnosing coupled water–carbon simulations in land surface and Earth system models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Spectroscopy outperforms leaf trait relationships for predicting photosynthetic capacity across different forest types

Leaf trait relationships are widely used to predict ecosystem function in Terrestrial Biosphere Models (TBMs), in which leaf maximum carboxylation capacity (V c,max ), an important trait for modelling photosynthesis, can be inferred from other easier- to-measure traits. However, whether trait-V c,max relationships are robust across different forest types remains unclear. Here we used measurements of leaf traits, including one morphological trait (leaf mass per area), three biochemical traits (leaf water content, area-based leaf nitrogen content, and leaf chlorophyll content), one physiological trait (V c,max ), as well as leaf reflectance spectra, and explored their relationships within and across three contrasting forest types in China. We found weak and forest type-specific relationships between V c,max and the four morphological and biochemical traits (R 2 ≤ 0.15), indicated by significantly changing slopes and intercepts across forest types. In contrast, reflectance spectroscopy effectively collapsed the differences in the trait-V c,max relationships across three forest biomes into a single robust model for V c,max (R 2 = 0.77), and also accurately estimated the four traits (R 2 = 0.75-0.94). Furthermore, these findings challenge the traditional use of empirical trait-V c,max relationships in TBMs for estimating terrestrial plant photosynthesis, but also highlight spectroscopy as an efficient alternative for characterizing V c,max and multi-trait variability, with critical insights into ecosystem modeling and functional trait ecology.

54 ENVIRONMENTAL SCIENCES↗