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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Permafrost and Climate Change: Carbon Cycle Feedbacks From the Warming Arctic

Rapid Arctic environmental change affects the entire Earth system as thawing permafrost ecosystems release greenhouse gases to the atmosphere. Understanding how much permafrost carbon will be released, over what time frame, and what the relative emissions of carbon dioxide and methane will be is key for understanding the impact on global climate. In addition, the response of vegetation in a warming climate has the potential to offset at least some of the accelerating feedback to the climate from permafrost carbon. Temperature, organic carbon, and ground ice are key regulators for determining the impact of permafrost ecosystems on the global carbon cycle. Together, these encompass services of permafrost relevant to global society as well as to the people living in the region and help to determine the landscape-level response of this region to a changing climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Hydration Mimicry by Membrane Ion Channels

Ions transiting biomembranes might pass readily from water through ion-specific membrane proteins if these protein channels provide environments similar to the aqueous solution hydration environment. In fact, bulk aqueous solution is an important reference condition for the ion permeation process. Assessment of this hydration mimicry concept depends on understanding the hydration structure and free energies of metal ions in water in order to provide a comparison for the membrane channel environment. To refine these considerations, we review local hydration structures of ions in bulk water and the molecular quasi-chemical theory that provides hydration free energies. In doing so, we note some current views of ion binding to membrane channels and suggest new physical chemical calculations and experiments that might further clarify the hydration mimicry concept.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fast Charge-Driven Li Plating on Anode and Structural Degradation of Cathode

Enabling fast charging in lithium ion batteries (LIBs) is a key factor to make electric vehicles drive just like gasoline-powered vehicles when the time comes to refuel. However, fast charging to current LIBs (LiNi x Mn y Co 1–z O 2 /graphite) is limited by lithium plating, which is barely reversible and causes LIBs to lose capacity over time. Thus, research to quantify the lithium plating in LIB cells is extremely important in improving our fundamental understanding of lithium plating behavior and enabling fast charging for LIBs. Here, we precisely quantified the amount of fast-charge-driven lithium plating in a coin-cell composed of LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC532)/graphite. We found that the amount of lithium plating gradually increases with the cycle count and reaches 25.59 μmole (26.80 mAh g –1 cathode ) by the 100th cycle. The study also reveals that the NMC532 has lost 19% of its original lithium content after 100 fast-charging cycles; this, correspondingly, causes a lattice volumetric strain of 0.59%.

25 ENERGY STORAGE↗
DOE OSTI2022

Across-Depth Heterogeneity and Irreversibility of Fast-Charge-Driven Lithium Plating

Enabling fast charging in lithium-ion batteries (LIBs) is a key factor for resolving consumers’ “range anxiety” concerns in choosing an electric vehicle over a gasoline-powered one. The best-known issue in the fast charging of current LIBs (based on LiNi x Mn y Co 1–x–y O 2 /graphite) is lithium plating, which is barely reversible and is accompanied by capacity loss over time. Therefore, understanding the reasons for the irreversibility of lithium plating driven by fast charging is critical to enhancing the fast-charging capability of LIBs. Here, a study of the irreversibility and heterogeneity of lithium plating is carried out by using electrochemical analyses, inductively coupled plasma mass spectroscopy, and X-ray photoelectron spectroscopy. Further, the study shows that the majority of the lithium plated during fast charging remains inactive even with very slow discharging rates, implying that most of the plated lithium is irreversibly lost. The study also reveals that chemical compounds such as LiF, Li 2 O and Li 2 (CO 3 ) are formed heterogeneously within the lithium plating and are responsible for some of the irreversibility of the plated lithium.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Longitudinal Trajectories of Memory Performance in Patients with Early-Stage Breast Cancer

Background. While breast cancer and its treatments may affect cognition, the longitudinal trajectories of cognition among those receiving differing cancer treatment types remain poorly understood. Prior research suggests hippocampal-prefrontal cortex network integrity may influence cognition, although how this network predicts performance over time remains unclear. Methods. We conducted a prospective trial including 69 patients with early-stage breast cancer receiving adjuvant therapy and 12 controls. Longitudinal cognitive testing was conducted at four visits: pretreatment-baseline, 6-7 months, 14-15 months, and 23-24 months. Cognitive composite scores of episodic memory, executive functioning, and processing speed were assessed at each timepoint. Baseline structural MRI was obtained in a subset of these participants, and hippocampal and prefrontal cortex regional volumes were extracted. Results. Longitudinal linear mixed modeling revealed significant group by time interactions on memory performance, controlling for age and education. Post hoc analyses revealed this effect was driven by patients treated with chemotherapy or chemotherapy plus hormone therapy, who demonstrated the least improvement in memory scores over time. Treatment group did not significantly influence the relationship between time and processing speed or executive functioning. Neither pretreatment hippocampal nor prefrontal volume differed between groups, and there were no significant group by time by baseline regional volume effects on cognition. Conclusion. Patients with early-stage breast cancer treated with chemotherapy or chemotherapy plus hormone therapy benefit less from practice effects seen in healthy controls on memory tests. Loss of longitudinal practice effect may be a new and clinically relevant measure for capturing patients’ experience of cognitive difficulties after treatment.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Data and interactive visualization for "The economic accessibility of CO2 sequestration through bioenergy with carbon capture and sequestration (BECCS) in the US" submitted to the journal "Land", 2020

Detailed outputs and interactive visualization to accompany the manuscript titled "The economic accessibility of CO2 sequestration through bioenergy with carbon capture and sequestration (BECCS) in the US" submitted to the journal "Land" in 2020. https://public.tableau.com/profile/billion.ton.2016#!/vizhome/ORNLBECCS2020/CO2EMITANDCAPTURE2

Langholtz, Matthew↗
DOE OSTI2020

HSNMon: High-Speed Monitoring Software for Omni-Path

HSNMon is a robust high speed network monitoring daemon that provides insight into network availability, hardware failure, and network performance for switches and network cards. HSNMon collects counters, forwarding tables, and error information at high resolution using publicly available Omni-Path Management APIs. The collected data can be forwarded into multiple logging infrastructures including syslog and message queuing systems. HSNMon is only the infrastructure for collecting the network data. It does not include any collected data or proprietary LANL information

Holman, Brett↗
DOE OSTI2023

A python package for analyzing Resilience of Complex Systems (pyRoCS) v.0.0

SAND2024-01040O PyRoCS software synthesizes mathematical equations from several domains—including information theory, ecology, and engineering sciences—to support resilience analysis for complex systems. Resilience is the ability of the complex system being analyzed to withstand, operate through, and recover from a disruption. The complex system can be a physical system such as an electric grid, an organization such as a company, or even a subfunction of an organization. Existing mathematical equations for resilience analysis are found within multiple domains including information theory, biological sciences, and complex systems. This package synthesizes and refactors equations from these various domains to make them more generalizable for application across different types of complex systems relevant for resilience analysis. Users will be able to apply these equations to characterize different components of complex systems based on available data. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Verzi, Stephen↗
DOE OSTI2025

SFold v0.1

This is a scientific software package to integrate Small Angle X-ray Scattering (SAXS) experimental data into OpenFold deep learning models to improve protein structure prediction.

Prince, Stephanie [Lawrence Berkeley National Labo↗
DOE OSTI2026

bootESA

Inference of the shape of simple, closed curves using Elastic Shape Analysis.

Glenn, Susan↗
DOE OSTI2022

Colorectal Cancer Metastases in the Liver Establish Immunosuppressive Spatial Networking between Tumor-Associated SPP1 + Macrophages and Fibroblasts

Abstract Purpose: The liver is the most frequent metastatic site for colorectal cancer. Its microenvironment is modified to provide a niche that is conducive for colorectal cancer cell growth. This study focused on characterizing the cellular changes in the metastatic colorectal cancer (mCRC) liver tumor microenvironment (TME). Experimental Design: We analyzed a series of microsatellite stable (MSS) mCRCs to the liver, paired normal liver tissue, and peripheral blood mononuclear cells using single-cell RNA sequencing (scRNA-seq). We validated our findings using multiplexed spatial imaging and bulk gene expression with cell deconvolution. Results: We identified TME-specific SPP1-expressing macrophages with altered metabolism features, foam cell characteristics, and increased activity in extracellular matrix (ECM) organization. SPP1+ macrophages and fibroblasts expressed complementary ligand–receptor pairs with the potential to mutually influence their gene-expression programs. TME lacked dysfunctional CD8 T cells and contained regulatory T cells, indicative of immunosuppression. Spatial imaging validated these cell states in the TME. Moreover, TME macrophages and fibroblasts had close spatial proximity, which is a requirement for intercellular communication and networking. In an independent cohort of mCRCs in the liver, we confirmed the presence of SPP1+ macrophages and fibroblasts using gene-expression data. An increased proportion of TME fibroblasts was associated with the worst prognosis in these patients. Conclusions: We demonstrated that mCRC in the liver is characterized by transcriptional alterations of macrophages in the TME. Intercellular networking between macrophages and fibroblasts supports colorectal cancer growth in the immunosuppressed metastatic niche in the liver. These features can be used to target immune-checkpoint–resistant MSS tumors.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Utilizing a Storm-Generating Hotspot to Study Convective Cloud Transitions: The CACTI Experiment

The Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign was designed to improve understanding of orographic cloud life cycles in relation to surrounding atmospheric thermodynamic, flow, and aerosol conditions. The deployment to the Sierras de Córdoba range in north-central Argentina was chosen because of very frequent cumulus congestus, deep convection initiation, and mesoscale convective organization uniquely observable from a fixed site. The C-band Scanning Atmospheric Radiation Measurement (ARM) Precipitation Radar was deployed for the first time with over 50 ARM Mobile Facility atmospheric state, surface, aerosol, radiation, cloud, and precipitation instruments between October 2018 and April 2019. An intensive observing period (IOP) coincident with the RELAMPAGO field campaign was held between 1 November and 15 December during which 22 flights were performed by the ARM Gulfstream-1 aircraft. A multitude of atmospheric processes and cloud conditions were observed over the 7-month campaign, including numerous orographic cumulus and stratocumulus events; new particle formation and growth producing high aerosol concentrations; drizzle formation in fog and shallow liquid clouds; very low aerosol conditions following wet deposition in heavy rainfall; initiation of ice in congestus clouds across a range of temperatures; extreme deep convection reaching 21-km altitudes; and organization of intense, hail-containing supercells and mesoscale convective systems. These comprehensive datasets include many of the first ever collected in this region and provide new opportunities to study orographic cloud evolution and interactions with meteorological conditions, aerosols, surface conditions, and radiation in mountainous terrain.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Experiment of Sea Breeze Convection, Aerosols, Precipitation, and Environment (ESCAPE)

Convective clouds play an important role in Earth’s climate system and are a known source of extreme weather. Gaps in our understanding of convective vertical motions, microphysics, and precipitation across a full range of aerosol and meteorological regimes continue to limit our ability to predict the occurrence and intensity of these cloud systems. To improve predictability, the National Science Foundation (NSF) sponsored a large field experiment entitled “Experiment of Sea Breeze Convection, Aerosols, Precipitation, and Environment (ESCAPE).” ESCAPE took place between 30 May and 30 September 2022 in the vicinity of Houston, Texas, because this area frequently experiences isolated deep convection that interacts with the region’s mesoscale circulations and its range of aerosol conditions. ESCAPE focused on collecting observations of isolated deep convection through innovative sampling and developing novel analysis techniques. This included the deployment of two research aircraft, the National Research Council of Canada Convair-580 and the Stratton Park Engineering Company Learjet, which combined conducted 24 research flights from 30 May to 17 June. On the ground, three mobile X-band radars and one mobile Doppler lidar truck equipped with soundings were deployed from 30 May to 28 June. From 1 August to 30 September 2022, a dual-polarization C-band radar was deployed and operated using a novel, multisensor agile adaptive sampling strategy to track the entire life cycle of isolated convective clouds. Analysis of the ESCAPE observations has already yielded preliminary findings on how aerosols and environmental conditions impact the convective life cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

The ATTO-Campina site: A new observatory for tropical convection and gas-aerosol-cloud-precipitation interactions in the Amazon

We present results from ATTO-Campina, a new permanent observational site in central Amazon, about 4 km from the ATTO towers. Operational since 2020, ATTO-Campina characterizes atmospheric, cloud and rainfall properties through remote sensing. The goal is to provide continuous, complementary measurements to the ATTO towers, addressing the rainforest’s complex gas-aerosol-cloud-precipitation dynamics. Using a 3.5-year dataset, we classified convective clouds into three types: shallow cumulus (ShCu), congestus (Con) or (Deep) clouds. The shallow-to-deep transition takes about three hours, starting with ShCu formation at 11:00 local time. The accumulated rainfall peak follows at about 16:00. Only weak downdrafts are present in the upper troposphere where previous studies indicate new particle formation (NPF) occurrence. Strong downdrafts are mostly limited to heights below 5 km. Con and Deep convective days have higher concentrations of ultrafine aerosol and lower concentrations of accumulation-mode particles compared to ShCu. Convective clouds also significantly modify gas mixing ratios. Deep convective clouds are associated with high near-surface O3, consistent with downward transport from the midtroposphere. Our results showcase the added detail achieved by integrating data from the ATTO towers and ATTO-Campina sites. Together, these sites support better understanding of interconnected gas-aerosol-cloud-precipitation processes in the Amazon and their evolution under climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The Boreal Summer Madden–Julian Oscillation and Moist Convective Morphology over the Maritime Continent

Abstract While the boreal summer Madden–Julian oscillation (MJO) is commonly defined as a planetary-scale disturbance, the convective elements that constitute its cloud dipole exhibit pronounced variability in their morphology. We therefore investigate the relationship between the intraseasonal cloud anomaly of the MJO and the convective elements that populate its interior by simulating a boreal summer MJO event over the Maritime Continent using a cloud-resolving model. A progressive relationship between convective cell morphology and the MJO within the convectively enhanced region of the MJO was identified and characterized as follows: anomalously long-lasting cells in the initial phases, followed by an increased number of cells in the intermediate phases, progressing into more expansive cells in the terminal phases. A progressive relationship does not seem to exist within the convectively suppressed region of the MJO within the simulated domain, however. Within the convectively enhanced region of the MJO, the progressive relationship is partially explained by the evolution of bulk atmospheric characteristics, such as instability and wind shear. Positive midlevel moisture anomalies coincide with anomalously long-lasting convective cells, which is hypothesized to further cascade into an increase in convective cell volume, although variability in the number of convective cells seems to be related to an unidentified variable. This intraseasonal relationship between convective cell morphology and the boreal summer MJO within the Maritime Continent may have broader implications for the large-scale structure and evolution of the MJO, related to both convective moistening and cloud-radiative feedbacks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Impacts of Varying Concentrations of Cloud Condensation Nuclei on Deep Convective Cloud Updrafts—A Multimodel Assessment

Abstract This study presents results from a model intercomparison project, focusing on the range of responses in deep convective cloud updrafts to varying cloud condensation nuclei (CCN) concentrations among seven state-of-the-art cloud-resolving models. Simulations of scattered convective clouds near Houston, Texas, are conducted, after being initialized with both relatively low and high CCN concentrations. Deep convective updrafts are identified, and trends in the updraft intensity and frequency are assessed. The factors contributing to the vertical velocity tendencies are examined to identify the physical processes associated with the CCN-induced updraft changes. The models show several consistent trends. In general, the changes between the High-CCN and Low-CCN simulations in updraft magnitudes throughout the depth of the troposphere are within 15% for all of the models. All models produce stronger (~+5%–15%) mean updrafts from ~4–7 km above ground level (AGL) in the High-CCN simulations, followed by a waning response up to ~8 km AGL in most of the models. Thermal buoyancy was more sensitive than condensate loading to varying CCN concentrations in most of the models and more impactful in the mean updraft responses. However, there are also differences between the models. The change in the amount of deep convective updrafts varies significantly. Furthermore, approximately half the models demonstrate neutral-to-weaker (~−5% to 0%) updrafts above ~8 km AGL, while the other models show stronger (~+10%) updrafts in the High-CCN simulations. The combination of the CCN-induced impacts on the buoyancy and vertical perturbation pressure gradient terms better explains these middle- and upper-tropospheric updraft trends than the buoyancy terms alone.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Assessing Raindrop Breakup Parameterizations Using Disdrometer Observations

In this work, an intercomparison of raindrop mean diameter frequency distribution (RDFD) is performed for numerical simulations of precipitating cloud systems using an array of models and microphysics schemes. This includes results from the Regional Atmospheric Modeling System (RAMS) double-moment microphysics, the Hebrew University Cloud Model bin microphysics (HUCM) interfaced to the RAMS parent model, and the Weather Research and Forecasting (WRF) Model with the Thompson, Morrison, double-moment 6-class (WDM6), and National Severe Storms Laboratory (NSSL) double-moment schemes. Simulations are examined with respect to the raindrop size distribution (DSD) volume-number mean diameter (D m ) and intercept parameter (N w ). When compared to a suite of disdrometer observations, the RDFD resulting from each microphysics scheme exhibits varying degrees of mean drop size constraints and peaks in the frequency distribution of D m . A more detailed investigation of the peaked RDFD from the RAMS simulations suggests that the parameterization of raindrop collisional breakup can impose strong limitations on the evolution of simulated drop growth. As such, a summary and comparison of the drop breakup parameterizations among the aforementioned microphysics schemes is presented. While some drop breakup parameterizations are adjusted toward the observations by modifying the threshold diameter for the onset of breakup, this study explores the use of a modified maximum breakup efficiency. This method permits the parameterization to retain its threshold breakup diameter, while limiting the strength of drop breakup and permitting a broader range of drop sizes. As a result, the simulated mean drop sizes are in better agreement with observations.

54 ENVIRONMENTAL SCIENCES↗