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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Techno-Economic Analysis and Life Cycle Assessment for the Separation of 2,3-Butanediol from Fermentation Broth Using Liquid–Liquid Extraction

It is energy-intensive to separate dilute 2,3-butanediol (2,3-BDO) (<10 wt %) from the aqueous phase of fermentation broth for sustainable aviation fuel (SAF) using conventional distillation. Liquid–liquid extraction (LLE) using oleyl alcohol as a solvent in a membrane extractor to extract BDO from water can significantly reduce the energy cost and minimize the potential emulsion. In an Aspen Plus model simulation, 95.2% BDO recovery and 97.1% BDO purity have been achieved using this LLE method with solvent recovery and heat integration. Here, the thermal energy cost was estimated to be 4.57 MJ/kg BDO, which is only about 16.8% of the lower heating value (LHV) of the BDO. This method consumes 81% less energy than the cascade distillation and reduces about $0.46/GGE (gasoline gallon equivalent) to the minimal fuel selling price. Meanwhile, the greenhouse gas (GHG) emission is 62% lower than petroleum-based jet fuel production and 34% less than using the cascade distillation.

09 BIOMASS FUELS↗
DOE OSTI2025

Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis

A complete understanding of enzyme mechanisms requires atomistic details of chemical reactions. Quantum-based molecular dynamics simulations (QMD) are a potential source of this information, but trade-offs between accuracy and computational cost have limited their use. We previously developed extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) methods that leverage a negligible compromise in accuracy to substantially decrease the cost of QMD simulations. Here, we develop a reactive QMD approach using the latest XL-BOMD formulation, which enables efficient simulations of highly reactive systems, and use it to investigate mechanisms of intermediate formation in isocyanide hydratase (ICH) catalysis. In QMD simulations, molecular analogs of ICH active site residues reacted with para-nitrophenyl isocyanide, forming a thioimidate. Analysis of simulated atomic configurational and charge dynamics revealed a pathway where protonation of the isocyanide carbon occurs prior to thioimidate formation and suggested a possible role of Asp17 as a proton donor in the early phase of ICH catalysis. To test whether the pathway seen using the reactive QMD approach might be relevant to ICH catalysis, we performed X-ray crystallography and pre-steady-state enzyme kinetics studies of wild-type and D17N mutant ICH. Both the structure and kinetics are sensitive to the D17N mutation in a manner that is consistent with the order of the reaction steps seen in the simulations. Mobile protons play essential roles in many enzymes, yet they are difficult to observe experimentally, making the ordering of proton-dependent steps ambiguous in many enzyme mechanisms. The ability to directly simulate model reactions for the design of experiments that provide information about enzyme mechanisms involving mobile protons demonstrates the significance of our reactive QMD approach and motivates further biological applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Atmospheric Rivers in the Eastern and Midwestern United States Associated With Baroclinic Waves

Atmospheric rivers (ARs) significantly impact the hydrological cycle and associated extremes in western continental regions. Recent studies suggest ARs also influence water resources and extremes in continental interiors. AR detection tools indicate that AR conditions are relatively frequent in areas east of the Rocky Mountains. The origin of these ARs, whether from synoptic-scale waves or mesoscale processes, is unclear. This study uses meteorological composite maps and transects of AR conditions during the four seasons. The analysis reveals that ARs east of the Rockies are associated with long-wave, baroclinic Rossby waves. This result demonstrates that eastern North American ARs are dynamically similar to their western coastal counterparts, though mechanisms for vertical moisture flux differ between the two. These findings provide a foundation for understanding future climate change and ARs in this region and offer new methods for evaluating climate model simulations.

58 GEOSCIENCES↗
DOE OSTI2024

The Potential of Stratospheric Aerosol Injection to Reduce the Climatic Risks of Explosive Volcanic Eruptions

Sulfur-rich volcanic eruptions happen sporadically. If Stratospheric Aerosol Injection (SAI) were to be deployed, it is likely that explosive volcanic eruptions would happen during such a deployment. Here we use an ensemble of Earth System Model simulations to show how changing the injection strategy post-eruption could be used to reduce the climate risks of a large volcanic eruption; the risks are also modified even without any change to the strategy. For a medium-size eruption (10 Tg-SO 2 ) comparable to the SAI injection rate, the volcanic-induced cooling would be reduced if it occurs under SAI, especially if artificial sulfur dioxide injections were immediately suspended. Alternatively, suspending injection only in the eruption hemisphere and continuing injection in the opposite would reduce shifts in precipitation in the tropical belt and thus mitigate eruption-induced drought. Finally, we show that for eruptions much larger than the SAI deployment, changes in SAI strategy would have minimal effect.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Global Ocean Cooling of 2.3°C During the Last Glacial Maximum

Abstract Quantitative constraints on past mean ocean temperature (MOT) critically inform our historical understanding of Earth's energy balance. A recently developed MOT proxy based on paleoatmospheric Xe, Kr, and N 2 ratios in ice core air bubbles is a promising tool rooted in the temperature dependences of gas solubilities. However, these inert gases are systematically undersaturated in the modern ocean interior, and it remains unclear how air‐sea disequilibrium may have changed in the past. Here, we carry out 30 tracer‐enabled model simulations under varying circulation, sea ice cover, and wind stress regimes to evaluate air‐sea disequilibrium in the Last Glacial Maximum (LGM) ocean. We find that undersaturation of all three gases was likely reduced, primarily due to strengthened high‐latitude winds, biasing reconstructed MOT by −0.38 ± 0.37°C (1σ). Accounting for air‐sea disequilibrium, paleoatmospheric inert gases indicate that LGM MOT was 2.27 ± 0.46°C (1σ) colder than the pre‐industrial era.

Seltzer, A. M.↗
DOE OSTI2024

Has Reducing Ship Emissions Brought Forward Global Warming?

Abstract Ships brighten low marine clouds from emissions of sulfur and aerosols, resulting in visible “ship tracks”. In 2020, new shipping regulations mandated an ∼80% reduction in the allowed fuel sulfur content. Recent observations indicate that visible ship tracks have decreased. Model simulations indicate that since 2020 shipping regulations have induced a net radiative forcing of +0.12 Wm −2 . Analysis of recent temperature anomalies indicates Northern Hemisphere surface temperature anomalies in 2022–2023 are correlated with observed cloud radiative forcing and the cloud radiative forcing is spatially correlated with the simulated radiative forcing from the 2020 shipping emission changes. Shipping emissions changes could be accelerating global warming. To better constrain these estimates, better access to ship position data and understanding of ship aerosol emissions are needed. Understanding the risks and benefits of emissions reductions and the difficultly in robust attribution highlights the large uncertainty in attributing proposed deliberate climate intervention.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Internal Climate Variability Obscures Future Freezing Rain Changes Despite Global Warming Trend

Abstract Although numerous studies have projected changes in freezing rain under future climate conditions, the internal variability of freezing rain remains poorly quantified. Here, we introduce a framework utilizing a novel machine‐learning algorithm to diagnose freezing rain in reanalysis and climate model simulations. By employing multivariate quantile mapping, we decompose the projected freezing rain trend into contributions from changes in temperature, relative humidity, and precipitation, which helps separate the forced response from internal climate variability. Our finding reveals a notable decrease in freezing rain occurrence in most areas. Despite a substantial temperature increase, internal variability overshadows climate forcing across a large portion of the eastern United States until about 2050. This insight has implications for practitioners, suggesting that the observed freezing rain frequency climatology continues to provide a relevant baseline for decision‐making in the near term. However, longer‐term design and adaptation plans should consider the projected changes in these regions.

Zhuang, Haoyu (Richard) [Department of Atmospheric↗
DOE OSTI2025

Drivers of Atlantic Tropical Cyclogenesis: African Easterly Waves and the Environment

Abstract Tropical cyclone (TC) genesis requires favorable environmental conditions and an initial disturbance, which, in the North Atlantic, is often an African easterly wave (AEW). Although studies have examined how AEWs and the environment affect TC genesis, their relative importance is less understood. Here, we examine whether AEW strength or sea surface temperatures (SSTs) are the primary drivers of TC genesis. Regional model simulations were performed to address how increased AEW strength and SSTs affect the frequency of AEWs that develop into TCs in a year with below‐average TCs with AEW origins and SSTs. We found that environmental favorability plays a larger role than AEW strength in driving the frequency of TCs with AEW origins. Strengthening the AEWs did not affect the frequency of AEWs that develop into TCs due to low environmental favorability. Warmer SSTs led to increased environmental favorability and a statistically significant increase in TCs with AEW origins.

Bercos‐Hickey, Emily [Climate and Ecosystem Scienc↗
DOE OSTI2025

Aerosol Decline Accelerates the Increasing Extreme Precipitation in China

Extreme precipitation is becoming more intense and frequent. The increasing trends in extreme precipitation in China in warm season related to changes in aerosols and greenhouse gases (GHGs) are investigated using observations, reanalysis data and model simulations. A significant accelerating increase in extreme precipitation occurred around 2010, with the trend in accumulated extreme rainfall amount (R95pTOT) increasing from 2.88 mm per decade during 2000–2010 to 22.88 mm per decade during 2010–2023. The sudden acceleration of the increasing extreme precipitation is largely attributed to the reverse in aerosol trends associated with China’s clean air actions, which affects extreme precipitation through perturbing cloud microphysics and atmospheric dynamics, accounting for half of the change in R95pTOT trends. Future aerosol reduction to achieve carbon neutrality is shown to continue to intensify the extreme precipitation, which overweighs the effect induced by GHGs, highlighting the importance of aerosol changes in modulating future climate and weather extremes.

58 GEOSCIENCES↗
DOE OSTI2025

Spatiotemporal Variations in the Characteristics of Mesoscale Convective Systems Over Indian Monsoon Zone

Here, this study examines cloud and precipitation properties of mesoscale convective systems (MCSs) in the Indian monsoon zone using 6 years of high-resolution satellite-based tracking data. MCSs exhibit strong regional and seasonal variations, peaking during the summer monsoon (June–September). Concentrated along a southeast-northwest band of the monsoon trough, MCS contribute 40%–70% of total precipitation and predominantly move westward at an average speed of 6.3 m s -1 . Long-lived MCSs (> 40 hr), although 10 times less frequent than short-lived MCSs (5–20 hr), produce 2–3 times more rainfall. Longer MCS lifespans and higher rainfall are associated with stronger deep-layer wind shear and enhanced lower free-tropospheric moisture at initiation. Land and ocean MCSs exhibit distinct diurnal cycles. Most land-based MCSs initiate around 16 LT and mature at 18 LT, whereas Bay of Bengal (BoB) MCSs initiate between 04 and 06 LT and peak by 14 LT. Convective precipitations from MCSs significantly surpasses that from non-MCSs systems, emphasizing their critical role in intense monsoon rainfall. Short- and long-lived MCSs showed distinct lifecycle evolution. Long-lived MCSs over the BoB show 37% larger cold-cloud shields, 44% larger precipitation feature areas, and 33% higher rain rates than their land counterparts, yielding 67% more total rainfall. These BoB MCSs also grow faster and experience more frequent cloud mergers early in their lifecycle. These findings offer critical insights into monsoonal MCSs lifecycle evolution, providing observational constraints for improving model simulations of monsoonal convection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Recent Warming of the Southern Hemisphere Subtropical Lower Stratosphere and Antarctic Ozone Healing

Observed temperature changes from 2002 to 2022 reveal a pronounced warming of the Southern Hemisphere (SH) subtropical lower stratosphere, and a cooling of the Antarctic lower stratosphere. In contrast, model simulations of 21st-century stratospheric temperature changes show widespread cooling driven by increasing greenhouse gases, with local warming in the Antarctic lower stratosphere due to ozone healing. We provide evidence that these discrepancies between observed and simulated stratospheric temperature changes are linked to a slowdown of the Brewer-Dobson Circulation, particularly in the SH. These changes in the stratospheric circulation are strongest from October through December. This altered circulation warms the SH subtropical lower stratosphere while cooling the Antarctic lower stratosphere, canceling and even reversing the Antarctic ozone recovery that would have occurred in its absence during this period. When circulation changes are accounted for, the SH subtropical lower-stratospheric warming is removed, and Antarctic lower-stratospheric warming is revealed with enhanced ozone healing, highlighting the crucial role of the stratospheric circulation in shaping temperature and ozone changes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Decomposing a Compound Flood Event in an Urban Pacific Northwest Estuary: Primary Drivers and Projections for the Future

The Duwamish River Estuary (DRE) of Washington is prone to compound flooding during atmospheric river (AR) events. The processes contributing to such flooding (coastal and fluvial) have remained opaque to municipalities that are increasingly impacted. Here, we conduct a suite of coupled atmosphere-hydrology-ocean model simulations with varying forcing combinations (tide, surge, and/or river discharge) to identify the primary drivers of compound flooding during a recent AR event. We also test year 2,100 climate forcing to project how flooding and drivers may change in the future for the same event. We identify a clear distinction between dynamics in the downstream, engineered portion of the DRE compared to the upstream, “natural” river. Downstream, tides dominate water levels but contributions from storm surge and nonlinear tide-surge interaction elevate tide-only high waters from no flooding to major flooding. Upstream, total water levels during the event are ∼6 cm higher than downstream due to an increasing influence of river discharge over surge and tides. Notably, nonlinear surge-river and tide-river interactions act to reduce upstream water levels up to 50% compared to estimates which linearly sum tides, surge, and river, likely reducing flood vulnerability. Under two future climate scenarios: one with only sea level rise (SLR) and another with SLR plus atmospheric warming, we find little change in mechanism contributions to water levels. Expanded flooding in both cases is largely due to SLR, as a ∼50% increase to river discharge under the warming scenario has no impact downstream and marginally increases (∼3 cm) water level upstream.

atmospheric river↗
DOE OSTI2026

Recent Tropical Cyclone Outer Size Increases in the Western North Atlantic

The outer size of a tropical cyclone (TC) plays a pivotal role in its impact through a modulation of wind duration, rainfall extent and storm surge. While global and basin scale trends in TC size have been examined previously, whether there have been regional changes over time remains unclear. Here, using a suite of observations and reanalyses, we detect an increasing TC outer size over the western North Atlantic during 1979–2022. Over the western subtropical North Atlantic where the largest changes are found, the area-averaged increase in the radius of 17 ms -1 winds is about 7.5% over this period. Analysis of the large-scale environment reveals that the air-sea thermodynamic state has become more favorable for storm intensification, and thereby expansion, over that region. Further, numerical model simulations link changes in the environment with those in storm size, and suggest a combination of natural variability and external forcing in driving them.

Balaguru, Karthik [Pacific Northwest National Labo↗
DOE OSTI2025

Convergence of Cloud Droplet Spectral Relative Dispersion During Entrainment‐Mixing Based on Particle‐Resolved Direct Numerical Simulations

Entrainment-mixing processes critically impact cloud microphysical properties, but their effects on the relative dispersion (d) of cloud droplet size distributions (CDSDs) remain elusive. A direct numerical simulation model is initialized with different CDSDs to fill the gap. These results show that d decreases for broad CDSDs and increases for narrow ones, ultimately converging to approximately 0.5 regardless of initial CDSDs during the evaporation-dominated mixing stage. The supersaturation fluctuation and the shape of CDSDs jointly influence the convergence behavior of d. Further sensitivity tests show that the initial microphysical/dynamical/thermodynamical conditions exert negligible effects on the final converged value of d but affect the convergence rate (k). The k generally increases with increasing droplet number concentration and dissipation rate, and increases with decreasing liquid water content, relative humidity of entrained air, and mixing fraction of cloudy air. A conceptual model with two timescales is proposed; k and the timescales are negatively correlated, meaning that slow mixing and/or evaporation process results in slow convergence of d. In conclusion, this finding provides an important reference for improving understanding and parameterization of d during the entrainment-mixing processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Atmospheric Feedbacks Reverse the Sensitivity of Modeled Photosynthesis to Stomatal Function

Stomata mediate fluxes of carbon and water between terrestrial plants and the atmosphere. These fluxes are governed by stomatal function and can be modulated in many Earth system models by an empirical parameter within the calculation of stomatal conductance, the stomatal slope (𝑔 1⁢𝑀 ). Intuitively, 𝑔 1⁢𝑀 represents the marginal water cost of carbon, relating it to the emergent plant property of water use efficiency. Observations show that 𝑔 1⁢𝑀 can range widely across and within plant types in varying environments, and this distribution of 𝑔 1⁢𝑀 is not captured within Earth system models which represent each plant type with a single 𝑔 1⁢𝑀 value. Here we examine how 𝑔 1⁢𝑀 influences photosynthesis using coupled Earth system model simulations by perturbing 𝑔 1⁢𝑀 to observed 5⁢t⁢h and 95⁢t⁢h percentiles for each plant type. We find that high 𝑔 1⁢𝑀 reduces photosynthesis nearly everywhere, while low 𝑔 1⁢𝑀 has regionally dependent responses. Under fixed atmospheric conditions, low 𝑔 1⁢𝑀 increases photosynthesis in the Amazon and central North America but decreases photosynthesis in boreal Canada. These responses reverse when the atmosphere responds interactively due to spatially differing sensitivity to increases in temperature and vapor pressure deficit. Choice of 𝑔 1⁢𝑀 also influences photosynthetic response to changes in atmospheric carbon dioxide (CO 2 ), with lower and higher 𝑔1⁢𝑀 modifying total global response to elevated 2x preindustrial CO 2 by +6.4% and −9.6%, respectively. Our work demonstrates that atmospheric feedbacks are critical for determining the photosynthetic response to 𝑔 1⁢𝑀 assumptions and some regions are particularly sensitive to choice of 𝑔 1⁢𝑀 .

Liu, Amy X. [University of Washington, Seattle, WA↗
DOE OSTI2024

Learning protocols for the fast and efficient control of active matter

Exact analytic calculation shows that optimal control protocols for passive molecular systems often involve rapid variations and discontinuities. However, similar analytic baselines are not generally available for active-matter systems, because it is more difficult to treat active systems exactly. Here we use machine learning to derive efficient control protocols for active-matter systems, and find that they are characterized by sharp features similar to those seen in passive systems. We show that it is possible to learn protocols that effect fast and efficient state-to-state transformations in simulation models of active particles by encoding the protocol in the form of a neural network. We use evolutionary methods to identify protocols that take active particles from one steady state to another, as quickly as possible or with as little energy expended as possible. Our results show that protocols identified by a flexible neural-network ansatz, which allows the optimization of multiple control parameters and the emergence of sharp features, are more efficient than protocols derived recently by constrained analytical methods. Our learning scheme is straightforward to use in experiment, suggesting a way of designing protocols for the efficient manipulation of active matter in the laboratory.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Future increase in compound soil drought-heat extremes exacerbated by vegetation greening

Compound soil drought and heat extremes are expected to occur more frequently with global warming, causing wide-ranging socio-ecological repercussions. Vegetation modulates air temperature and soil moisture through biophysical processes, thereby influencing the occurrence of such extremes. Global vegetation cover is broadly expected to increase under climate change, but it remains unclear whether vegetation greening will alleviate or aggravate future increases in compound soil drought-heat events. Here, using a suite of state-of-the-art model simulations, we show that the projected vegetation greening will increase the frequency of global compound soil drought-heat events, equivalent to 12-21% of the total increment at the end of 21st century. This increase is predominantly driven by reduced albedo and enhanced transpiration associated with increased leaf area. Although greening-induced transpiration enhancement has counteracting cooling and drying effects, the excessive water loss in the early growing season can lead to later soil moisture deficits, amplifying compound soil drought-heat extremes during the subsequent warm season. These changes are most pronounced in northern high latitudes and are dominated by the warming effect of CO 2 . Our study highlights the necessity of integrating vegetation biophysical effects into mitigation and adaptation strategies for addressing compound climate risks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Robust increase in South Asian monsoon rainfall under warming driven by extratropical clouds and ocean

The responses of South Asian Monsoon (SAM) circulation under global warming are known to be highly uncertain, leading to the wide spread of SAM rainfall projections among models. Here, we show that the uncertain SAM circulation in Coupled Model Intercomparison Project Phase 6 models consists of two robust components that partly offset each other: a weakening component linked to a global thermodynamic constraint and a northward shift component understood through a regional 2D energetic perspective. We further attribute the robust northward shift of SAM circulation to positive cloud feedback over the Eurasia Continent and heat uptake in the Southern Ocean. A set of climate model simulations supports the finding that SAM rainfall increase is primarily due to the northward shift of circulation driven by extratropical processes. This energetic perspective opens new avenues for predicting monsoon rainfall by connecting circulation changes to radiative forcing, feedbacks, and ocean heat uptake.

54 ENVIRONMENTAL SCIENCES↗