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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Three-dimensional modeling of hyphal fusion, branching, and nutrient transport in filamentous fungi

Fungi exhibit behaviors distinct from other microbes. Filamentous fungi grow by extending complex networks of branched filaments collectively referred to as the mycelium. These networks can expand over large distances and traverse low-nutrient areas by translocating nutrients through the filament network. This spatial characteristic makes filamentous fungi crucial for soil ecosystems, supporting stable microbial communities and promoting plant growth. However, simulating these behaviors is complex. The elongated nature of fungal compartments results in different mechanical interactions compared to the commonly modeled spherical bacteria. These detailed hyphal mechanics require specialized consideration and are often excluded from conventional fungal simulation packages. Additionally, the extensive fungal networks in nature demand computationally intensive simulations, necessitating high-performance algorithms. Therefore, realistic fungi simulations require specialized software. Here, we introduce a fungal modeling expansion to the high-performance biological modelling and interface exchange (bmx) software suite. bmx leverages adaptive mesh refinement in AMReX for chemical diffusion and incorporates a full mechanical model for bacterial cells, accelerated by GPUs. By extending bmx to model filamentous particles, we demonstrate the formation of complex filament networks through interactions like hyphal branching and fusion (anastomosis). We show that the networks produced match real-world fungal structures through various metrics. This work supports computational studies of fungal growth dynamics and can be adapted to investigate the growth of other filamentous structures in biology or materials science. The expanded-BMX package is open-sourced and is available online.

Cell mechanics↗
DOE OSTI2024

Quantum Spin Probe of Single Charge Dynamics

Electronic defects in semiconductors form the basis for emerging quantum technologies, but many defect centers are difficult to access at the single-particle level. A method for probing optically inactive spin defects would reveal semiconductor physics at the atomic scale and advance the study of new quantum systems. Here, we exploit the intrinsic correlation between the charge and spin states of defect centers to measure the charge populations and dynamics of single substitutional nitrogen spin defects in diamond. By probing their steady-state spin population, read out at the single-defect level with a nearby nitrogen vacancy center, we directly measure the defect ionization-corroborated by first-principles calculations-an effect we do not have access to with traditional coherence-based quantum sensing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Metabolic complexity drives divergence in microbial communities

Microbial communities are shaped by environmental metabolites, but the principles that govern whether different communities will converge or diverge in any given condition remain unknown, posing fundamental questions about the feasibility of microbiome engineering. Here, in this work, we studied the longitudinal assembly dynamics of a set of natural microbial communities grown in laboratory conditions of increasing metabolic complexity. We found that different microbial communities tend to become similar to each other when grown in metabolically simple conditions, but they diverge in composition as the metabolic complexity of the environment increases, a phenomenon we refer to as the divergence-complexity effect. A comparative analysis of these communities revealed that this divergence is driven by community diversity and by the assortment of specialist taxa capable of degrading complex metabolites. An ecological model of community dynamics indicates that the hierarchical structure of metabolism itself, where complex molecules are enzymatically degraded into progressively simpler ones that then participate in cross-feeding between community members, is necessary and sufficient to recapitulate our experimental observations. In addition to helping understand the role of the environment in community assembly, the divergence-complexity effect can provide insight into which environments support multiple community states, enabling the search for desired ecosystem functions towards microbiome engineering applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Overview, Progress and Next Steps for Our Understanding of the Near-Earth Space Radiation and Plasma Environment: Science and Applications

The Near-Earth Space Radiation and Plasma Environment falls within the realm of G3 Cluster (G3 refers to ‘Near-Earth Radiation and Plasma Environment’ of the ‘Coupled Geospace System’) under the COSPAR (Committee On Space Research) /International Space Weather Action Teams (ISWAT) Initiative. The diverse and dynamic particle populations from this region pose challenges from both science and space weather-impact perspectives. The G3 cluster has intimate connections with solar, heliosphere clusters, and the other Geospace ones (G1, G2) through a chain of physical processes. This paper reviews recent scientific advances in understanding this complex space environment, identifies gaps in research and space weather applications, and maps out our recommendations on priorities for the next 5-10 years.

Zheng, Yihua↗
DOE OSTI2026

Generalized master equation for particle transport in binary random media with renewal statistics

Particle transport in binary stochastic mixtures is classically modeled assuming Markovian or exponential mixing statistics but in many applications material memory invalidates the Markov assumption. For non-Markovian mixing characterized by alternating renewal processes, a transport-theoretic framework is presented that provides an exact description of transport in nonscattering random binary media with general non-exponential statistics. Our approach is to Markovianize the problem by augmenting the {material type, particle flux} state space with the age or distance from the last interface. A Chapman-Kolmogorov equation is formulated for the joint probability density of the material type, particle flux, and age, and subsequently reduced to a generalized Master equation (GME) in differential form. This constitutes the primary result of this work. A state-updating Monte Carlo algorithm consistent with the GME is developed and benchmarked against analytical solutions for multiple chord-length laws. For purely absorbing renewal statistical media, the GME reproduces analytical benchmarks for the equilibrium age distribution, interior mean/variance of material-conditioned fluxes, and boundary transmittance. Simulations further demonstrate that a Markov (exponential) approximation of non-exponential statistics can introduce large errors in transmittance and interior flux profiles. Lastly, the reintroduction of memory due to scattering is briefly addressed through heuristic considerations.

Fluctuations & noise↗
DOE OSTI2025

Evaluating the Impact of Power Outages on Occupancy Patterns During the 2021 Texas Power Crisis

Large-scale power outages, such as those caused by extreme weather events, have a big impact on human behavior. A short power outage is merely a nuisance for most, and may not change people's locations. An outage that lasts for a few hours can result in spoiled food and medical supplies, and people will have to restock spoiled items. Long outages result in temperatures outside tolerable levels in homes, and may prompt people to acquire supplies, such as generators and gas, or change location. The long outages during Winter Storm Uri in Texas resulted in millions of dollars in property damage due to freezing pipes. This level of damage is expected to result in a sharp increase in supply runs and contractor activity. In this paper, we present a tool to explore differences in visiting patterns before, during, and after power outages. It allows to compare different points of interest like medical facilities, grocery stores, hardware stores, and other types of businesses.

big data↗
DOE OSTI2026

Optical-Gating of Spin-based Quantum States (Final Report)

This project developed a generalizable strategy for optical control of spin-based quantum states through the Photoisomerization-Induced Spin–Charge Excited State (PISCES) process, in which a photochromic spirooxazine ligand bound to an electronically bistable metal complex enables reversible, room-temperature optical switching of spin states in both dilute matrices and the solid state. A multidisciplinary team integrated synthesis, spectroscopy, theory, and surface science to establish design principles for opto-spintronic quantum materials. Systematic structure–property studies across four spirooxazine series revealed that donor–π–acceptor interactions govern thermal isomerization, which proceeds via a rotational pathway. Pulsed EPR measurements demonstrated millisecond-scale coherence times in cobalt-dioxolene-spirooxazine complexes, establishing their promise as optically addressable molecular qubits; the approach was extended to Cu(II), Ni(II), and lanthanide complexes, including optical modulation of zero-field splittings and clock transitions. Two-dimensional IR spectroscopy resolved picosecond ground-state population exchange dynamics, while ab initio calculations elucidated photoisomerization mechanisms and parametrized Hamiltonians for spin relaxation and decoherence. Toward device integration, the team fabricated 2D polymer scaffolds for covalent qubit organization, developed tip-enhanced Raman imaging of molecular monolayers, and demonstrated optical gating of gate voltage in spirooxazine-graphene field-effect transistors. The project produced numerous publications, dissertations, and presentations, and trained over 30 researchers.

2D polymers↗
DOE OSTI2025

Modeling COVID-19 Impacts on Prison Population

The goal of this project was to develop a unique, high-level, concept model that will (1) help examine the consequences COVID-19 has had on prison population and flow dynamics in Illinois and (2) explore (to the extent possible) how that will unfold in the short- and mid-term future. Argonne has unique expertise in dynamic systems modeling and highly specialized simulation capabilities, which will be helpful in developing such a model. The ultimate objective of this CRADA is to develop with the Illinois Public Sentencing Policy Advisory Council (SPAC) the capability to identify and understand factors and interactions associated with prison population and flow dynamics in Illinois. This understanding will then potentially lead to improvements in the allocation of various resources and services. This approach would also be useful to other states.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

The structure of the stellar halo of the Andromeda galaxy explored with the NB515 for Subaru/HSC – I. New insights on the stellar halo up to 120 kpc

ABSTRACT We analyse the M31 halo and its substructure within a projected radius of 120 kpc using a combination of Subaru/HSC NB515 and Canada France Hawaii Telescope/MegaCam g and i bands. We succeed in separating M31’s halo stars from foreground contamination with $\sim$90 per cent accuracy by using the surface gravity sensitive NB515 filter. Based on the selected M31 halo stars, we discover three new substructures, which associate with the Giant Southern Stream (GSS) based on their photometric metallicity estimates. We also produce the distance and photometric metallicity estimates for the known substructures. While these quantities for the GSS are reproduced in our study, we find that the north-western stream shows a steeper distance gradient than found in an earlier study, suggesting that it is likely to have formed in an orbit closer to the Milky Way. For two streams in the eastern halo (Stream C and D), we identify distance gradients that had not been resolved. Finally, we investigate the global halo photometric metallicity distribution and surface brightness profile using the NB515-selected halo stars. We find that the surface brightness of the metal-poor and metal-rich halo populations, and the all population can be fitted to a power-law profile with an index of $\alpha =-1.65\pm 0.02$, $-2.82\pm 0.01$, and $-2.44\pm 0.01$, respectively. In contrast to the relative smoothness of the halo profile, its photometric metallicity distribution appears to be spatially non-uniform with non-monotonic trends with radius, suggesting that the halo population had insufficient time to dynamically homogenize the accreted populations.

Ogami, Itsuki (ORCID:0000000182394549)↗
DOE OSTI2025

Quasinormal Coupled-Mode Analysis of Dynamic Gain in Exceptional-Point Lasers

One of the key features of lasers operating near exceptional points (EPs) is that the gain medium can support an oscillating population inversion above a pump threshold, leading to self-modulated laser dynamics. This unusual behavior opens up new possibilities for frequency comb generation and temporal modulation. However, the dynamic population inversion couples signals with different frequencies and is difficult to capture using conventional temporal coupled-mode theory (TCMT) based on stationary saturable gain. In this paper, we develop a perturbative coupled-mode analysis framework to capture the spatial-temporal dynamics of near-EP lasers. By decomposing discrete frequency generation into multiple excitations of resonant modes, our analysis establishes a minimal physical model that translates the local distribution of dynamic population-inversion into a resonant modal interpretation of laser gain. Furthermore, this work enables the exploration of unique properties in this self-time-modulated systems, such as time-varying scattering and nonreciprocal transmission.

Absorption↗
DOE OSTI2026

Two-population Rouse models for polymer segmental dynamics in nanocomposites

Segmental dynamics of polymer chains in a model nanocomposite of poly(ethylene oxide) and silica nanoparticles (NPs) was investigated using quasielastic neutron scattering. The dynamics can be accurately described with the Rouse model. The bulklike polymer far from the NP surface behaves as the neat polymer. However, the slower polymer in the interface close to the NP surface is described either with a second Rouse population with different relaxation time or using the suppressed Rouse model. These simple two-population models accurately reproduce the experimental data, with the suppressed Rouse model describing topological constraints, on average, every 12 beads with an interfacial thickness up to 13.5 beads, and the effect of the interface extending to a layer of thickness comparable to the end-to-end distance of the polymer. This modeling provides an explanation for the observed reinforcement in PNC even at low loadings, consistent with current understanding of the relevance of the interphase.

Composite materials↗
DOE OSTI2026

Two-tooth bosonic quantum comb for temporal-correlation sensing

We introduce a two-tooth bosonic quantum comb that captures the sequential interactions between a thermal absorber and a long-lived coherent probe. The comb provides a causal, multi-time description of coherence transport, tracking how the probe records both instantaneous fluctuations and their temporal correlations. Using a process-tensor formulation, we derive closed form expressions showing that interference between the two interaction windows generates a non-monotonic memory response that reflects a fundamental competition between the absorbers thermal population and its dynamical correlations. By sweeping the temporal separation between the interaction windows, the probe directly samples the absorbers population correlator, enabling bosonic noise spectroscopy that discriminates Markovian temperature noise from slow or spectrally structured fluctuations. The approach is readily compatible with circuit-QED platforms and offers a general method for probing fluctuating bosonic environments.

Zhu, Shaojiang [Fermilab]↗
DOE OSTI2024

Distinct Mechanisms of Triplet Pair Decay in Amorphous and Crystalline Heteroacene Thin Films

Triplet pairs (TT) in crystalline molecular semiconductors have unique spin properties of interest for quantum information or enhancing solar photoconversion. The population and diffusion dynamics of TT have been the subject of recent studies, both in covalent dimers and in crystalline systems. Here, in this study, we monitor the triplet population in neat polycrystalline and amorphous films of a heteroacene with known TT spectral properties and tunable spin polarization depending on the intermolecular geometry. Transient measurements reveal an anomalous power dependence in polycrystalline films that we attribute to the fast diffusion and interaction of dissociated triplet pairs confined to one-dimensional stacks of strongly coupled molecules. The nongeminate triplet interaction after dephasing facilitates conversion to the triplet 3 TT and eventually T 1 +S 0 . Amorphous films have no power dependence and proceed directly from 1 TT to 3 TT and subsequently T 1 +S 0 via state mixing facilitated by nonparallel geometries and weak exchange coupling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Weak-form inference for hybrid dynamical systems in ecology

Species subject to predation and environmental threats commonly exhibit variable periods of population boom and bust over long timescales. Understanding and predicting such behaviour, especially given the inherent heterogeneity and stochasticity of exogenous driving factors over short timescales, is an ongoing challenge. A modelling paradigm gaining popularity in the ecological sciences for such multi-scale effects is to couple short-term continuous dynamics to long-term discrete updates. We develop a data-driven method utilizing weak-form equation learning to extract such hybrid governing equations for population dynamics and to estimate the requisite parameters using sparse intermittent measurements of the discrete and continuous variables. The method produces a set of short-term continuous dynamical system equations parametrized by long-term variables, and long-term discrete equations parametrized by short-term variables, allowing direct assessment of interdependencies between the two timescales. We demonstrate the utility of the method on a variety of ecological scenarios and provide extensive tests using models previously derived for epizootics experienced by the North American spongy moth ( Lymantria dispar dispar ).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Imaging the photochemistry of cyclobutanone using ultrafast electron diffraction: Experimental results

We investigated the ultrafast structural dynamics of cyclobutanone following photoexcitation at λ = 200 nm using gas-phase megaelectronvolt ultrafast electron diffraction. Our investigation complements the simulation studies of the same process within this special issue. It provides information about both electronic state population and structural dynamics through well-separable inelastic and elastic electron scattering signatures. We observe the depopulation of the photoexcited S 2 state of cyclobutanone with n3s Rydberg character through its inelastic electron scattering signature with a time constant of (0.29 ± 0.2) ps toward the S 1 state. The S 1 state population undergoes ring-opening via a Norrish Type-I reaction, likely while passing through a conical intersection with S 0 . The corresponding structural changes can be tracked by elastic electron scattering signatures. These changes appear with a delay of (0.14 ± 0.05) ps with respect to the initial photoexcitation, which is less than the S 2 depopulation time constant. This behavior provides evidence for the ballistic nature of the ring-opening once the S 1 state is reached. The resulting biradical species react further within (1.2 ± 0.2) ps via two rival fragmentation channels yielding ketene and ethylene, or propene and carbon monoxide. Furthermore, our study showcases the value of both gas-phase ultrafast diffraction studies as an experimental benchmark for nonadiabatic dynamics simulation methods and the limits in the interpretation of such experimental data without comparison with such simulations.

Carbon monoxide↗
DOE OSTI2024

Unravelling the orbits of cluster galaxy populations according to their dominant gas ionization source

ABSTRACT We investigate the kinematical and dynamical properties of cluster galaxy populations classified according to their dominant source of gas ionization, namely: star-forming (SF) galaxies, optical active galactic nuclei (AGNs), mixed SF plus AGN ionization (transition objects, T), and quiescent (Q) galaxies. We stack 8892 member galaxies from 336 relaxed galaxy clusters to build an ensemble cluster and estimate the observed projected profiles of numerical density and velocity dispersion, $\sigma _P(R)$, of each galaxy population. The MAMPOSSt code and the Jeans equations inversion technique are used to constrain the velocity anisotropy profiles of the galaxy populations in both parametric and non-parametric ways. We find that Q (SF) galaxies display the lowest (highest) typical cluster-centric distances and velocity dispersion values. Transition galaxies are more concentrated and tend to exhibit lower velocity dispersion values than SF galaxies. Galaxies that host an optical AGN are as concentrated as Q galaxies but display velocity dispersion values similar to those of the SF population. MAMPOSSt is able to find equilibrium solutions that successfully recover the observed $\sigma _P(R)$ profile only for the Q, T, and AGN populations. We find that the orbits of all populations are consistent with isotropy in the inner regions, becoming increasingly radial with the distance from the cluster centre. These results suggest that Q galaxies are in equilibrium within their clusters, while SF galaxies have more recently arrived in the cluster environment. Finally, the T and AGN populations appear to be in an intermediate dynamical state between those of the SF and Q populations.

Valk, Greique A. (ORCID:0009000827731299)↗
DOE OSTI2026

Genomic analysis of Klebsiella aerogenes circulating in New Mexico

Klebsiella aerogenes is an opportunistic pathogen and a growing cause of healthcare-associated infections, characterized by multidrug resistance and the emergence of global high-risk clones. However, regional genomic surveillance data remain limited. Here, we sought to characterize the population structure, transmission dynamics and resistance mechanisms of clinical K. aerogenes in Albuquerque, New Mexico. We sequenced 177 clinical isolates collected between 2021 and 2023. We also developed a novel, species-specific PopPUNK database to facilitate rapid, high-resolution typing. The New Mexico K. aerogenes population was diverse but dominated by two global pandemic lineages, ST93 (47.5%) and ST4 (7.9%), which were significantly enriched for the virulence factors yersiniabactin and colibactin. Genomic evidence for recent local transmission was rare, with only four putative transmission pairs identified. The resistome was characterized by intrinsic and adaptive mutations. Nearly all isolates possessed gyrA mutations associated with decreased fluoroquinolone susceptibility. Mutations in the AmpC regulator AmpD and the outer membrane porin Omp36 were common, particularly within the dominant ST93 lineage. These mutations have been associated with increased AmpC-mediated carbapenem resistance. Our findings underscore the critical importance of genomic surveillance to monitor the transmission and evolution of adaptive resistance.

59 BASIC BIOLOGICAL SCIENCES↗