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NASA NTRSDate not supplied

Mitigating Microbial Contamination Risks in CO 2 Removal Systems for Long-Duration Space Missions

Crewed missions to Mars and beyond pose new challenges for the crew and the technological solutions they depend upon. Crucial considerations in designing the next generation of Environmental Control and Life Support Systems (ECLSS) include enhanced reliability and autonomy, given the challenges of resupply and resource recovery in remote missions. One significant challenge faced in various sectors of the International Space Station and ECLSS is the phenomena of microbial growth, particularly biofilm formation. As such, microbial growth is a critical consideration in the design phase of new ECLSS systems. Two novel CO2 removal systems—Liquid-Amines CO2 Removal (LACR) and Cold-Surface CO2 Deposition (CDep)—are currently under development at the NASA Ames Research Center to meet the needs of extended space travel. In this presentation, the authors aim to make a risk assessment of microbial growth in LACR and CDep through: 1) a comprehensive literature review to identify LACR and CDep components most vulnerable to microbial contamination and 2) wet lab testing commencing with a subscale test of the most susceptible component of CDep. The literature review revealed that the hollow-fiber Liqui-Cel membrane employed in CDep exhibits the highest susceptibility to microbial growth. Our wet lab tests corroborated these findings, as airborne microbes introduced into the membrane led to considerable biomass accumulation. These results indicate a significant risk of microbial invasion into the membranes. To prevent microbial growth in CDep or other CO2 removal systems, proper ECLSS arrangement is essential—a CO2 removal system should remain behind the charcoal-HEPA filters, condensing heat exchanger, and Trace Contaminant Control System. In summary, anticipating potential microbial interactions within ECLSS for remote crewed missions is vital to mission success. It should, therefore, be included as one of the many factors when designing future ECLSS systems to perform reliably and consistently to support astronaut life.

A. Nicolas Whitlock↗

DOE OSTI2024

Search for 2p2h Interactions in the NOνA Near Detector

The physics of 2p2h interactions and their contribution to the NO$\nu$A near detector data are not fully understood. This study attempts to shed some light on these interactions and the accuracy of the models used to simulate them through a search for a specific 2p2h interaction in the NO$\nu$A near detector. By performing an event selection algorithm based on particle identifier algorithms run over reconstructed data, a signal region is created to minimize the background while maximizing the number of 2p2h events where a muon neutrino interacts with a neutron and a proton coupled by a meson exchange current and produces two protons and one muon. In the signal region, separation is found between the signal events and the background in plots of the angles between the protons and the muon. Although a full statistical analysis is not completed in this study, comparing the angle plots for simulation and data shows that the model used to simulate the events reasonably approximates reality and that the near detector data likely includes signal events. Signal events are also identified in event displays, further indicating that there is some contribution of the signal to the overall NO$\nu$A near detector data.

Gable, Kyle↗

DOE OSTI2023

Towards Resilient Design of Leader-following Consensus with Attack Identification and Privacy Preservation Capabilities

This paper considers a leader-following consensus in the presence of unknown but bounded cyber-attacks. Specifically, we consider the following cyber-attack scenarios: (i) an attacker aims to destabilize the consensus dynamics by injecting exogenous signals to both the actuators of the followers and/or the communication network, (ii) an eavesdropper adversary aims to obtain information on the physical state of the agents. To this end, a novel resilient leader-following consensus algorithm based on a competitive interaction method is proposed. In addition, it is demonstrated that by appropriately choosing the information exchanged between the agents, the proposed control framework also enables the cooperative system to either distributively identify the compromised communication links in real-time or to protect the privacy of the physical state of the agents from the eavesdropper. Here, a numerical example is provided to illustrate the proposed resilient control algorithms.

Gusrialdi, Azwirman↗

DOE OSTI2025

Realization of three- and four-body interactions between momentum states in a cavity

Spin Hamiltonians in condensed matter and quantum sensing typically utilize pairwise or two-body interactions between constituents in the material or ensemble. However, there is growing interest in exploring more general n-body interactions for n > 2. In this study, we realized an effective n = 3-body Hamiltonian interaction using an ensemble of laser-cooled atoms in a high-finesse optical cavity with the pseudospin 1/2 encoded by two atomic momentum states. We applied two dressing tones that induce the atoms to exchange photons via the cavity to realize a virtual six-photon process; lower-order interactions destructively interfered. We also observed signatures of a n = 4-body interaction mediated by a virtual eight-photon process. Our approach may be extensible to three-body interactions in multilevel systems or to even higher-order interactions.

Luo, Chengyi [University of Colorado, Boulder, CO ↗

DOE OSTI2025

Joint Factorization of QCD and QED Radiation in Lepton-Hadron Scattering

The factorization theorem plays an important role in the analysis of high energy quantum chromodynamic (QCD) processes, separating the nonperturbative hadronic interaction into the universal parton distribution functions (PDFs) and fragmentation functions (FFs) and the process-dependent interactions into short distance perturbative calculations, with any interference power suppressed. With a virtual photon exchange, lepton-hadron deep inelastic scattering (DIS) provides an electromagnetic hard probe for the partonic structure of colliding hadrons and has played an important role in the development of QCD factorization. However, the collision induced QED radiation can change the momentum of the exchanged but unobserved virtual photon, making the photon-hadron frame, where the factorization formalism for DIS and semi-inclusive DIS (SIDIS) was derived, ill defined. A new analogous factorization approach has been introduced to separate the leading power process-independent QED radiative contributions to the single photon exchange by introducing lepton distribution functions (LDFs) and lepton fragmentation functions (LFFs), while process-dependent effects are perturbatively calculated with large logarithms removed [J. High Energ. Phys. 2021, 157 (2021)]. These LDFs and LFFs are considered global, as they appear in many different interactions, such as e+e-, DIS and SIDIS, so data from experiments can be used to fit and describe these functions across a wide range of lepton scattering. In this work, I will apply this new hybrid factorization approach to lepton-hadron DIS and SIDIS. For DIS, I derive the NLO short distance perturbative contribution to the cross section and demonstrate the effects the QED radiation has on the cross section using this approach using the CTEQ parameterization for the QCD functions. As part of the SIDIS analysis, I study the cross-section in two different kinematic regions: (1) the scattered lepton and observed hadron are not near back-to-back, and (2) they are close to back-to-back, where collinear QCD factorization works for (1) and TMD QCD factorization for (2) while collinear QED factorization works for both. As part of this work, I show the effects on the SIDIS cross section using fixed order calculations for the unpolarized structure function by first showing the effect of the radiative corrections on the main kinematic variables, especially how the internal transverse momentum is significantly correlated to the external angular dependence, and then the unpolarized structure function (or cross section) with matching between the descriptions for low and high transverse momentum. This work will impact the calculations for predictions for data from COMPASS and various Jefferson Lab experiments.

Cammarota, Justin [Univ. of Kentucky, Lexington, K↗

NASA NTRS1992

Linkages between terrestrial ecosystems and the atmosphere

The primary research issue in understanding the role of terrestrial ecosystems in global change is analyzing the coupling between processes with vastly differing rates of change, from photosynthesis to community change. Representing this coupling in models is the central challenge to modeling the terrestrial biosphere as part of the earth system. Terrestrial ecosystems participate in climate and in the biogeochemical cycles on several temporal scales. Some of the carbon fixed by photosynthesis is incorporated into plant tissue and is delayed from returning to the atmosphere until it is oxidized by decomposition or fire. This slower (i.e., days to months) carbon loop through the terrestrial component of the carbon cycle, which is matched by cycles of nutrients required by plants and decomposers, affects the increasing trend in atmospheric CO2 concentration and imposes a seasonal cycle on that trend. Moreover, this cycle includes key controls over biogenic trace gas production. The structure of terrestrial ecosystems, which responds on even longer time scales (annual to century), is the integrated response to the biogeochemical and environmental constraints that develop over the intermediate time scale. The loop is closed back to the climate system since it is the structure of ecosystems, including species composition, that sets the terrestrial boundary condition in the climate system through modification of surface roughness, albedo, and, to a great extent, latent heat exchange. These separate temporal scales contain explicit feedback loops which may modify ecosystem dynamics and linkages between ecosystems and the atmosphere. The long-term change in climate, resulting from increased atmospheric concentrations of greenhouse gases (e.g., CO2, CH4, and nitrous oxide (N2O)) will further modify the global environment and potentially induce further ecosystem change. Modeling these interactions requires coupling successional models to biogeochemical models to physiological models that describe the exchange of water, energy, and biogenic trace gases between the vegetation and the atmosphere at fine time scales. There does not appear to be any obvious way to allow direct reciprocal coupling of atmospheric general circulation models (GCM's), which inherently run with fine time steps, to ecosystem or successional models, which have coarse temporal resolution, without the interposition of physiological canopy models. This is equally true for biogeochemical models of the exchange of carbon dioxide and trace gases. This coupling across time scales is nontrivial and sets the focus for the modeling strategy.

Bretherton, Francis↗

DOE OSTI2024

Understanding the Chemical Complexity of Multicomponent Systems: Uranium Polyoxometalates as Nanosorbents

The overarching objective of this project was to develop a molecular-scale understanding of chemical interactions of the transuranic (TRU) elements with uranyl-based polyoxometalate nanoclusters (UPOMs). The specific goals that supported this overarching objective were to: (i) quantify TRU interactions with UPOMs as a function of TRU, carbonate, and UPOM concentration, pH, and temperature; (ii) examine the molecular-level bonding environment of TRU-UPOM complexes; and (iii) develop a rate expression capable of describing the sorption and reduction of TRU by UPOMs. The published literature suggests several potential interactions can occur in TRU-UPOM systems: (i) encapsulation of TRU and coordination with the internal ‘-yl’ oxygens of the UPOM, (ii) coordination of TRU with the external ‘-yl’ oxygens of the UPOM, and (iii) coordination of TRU with the bridging ligands (e.g., peroxo, hydroxo, oxalate) of the UPOM. The latter two may induce aggregation of the UPOMs. The concept of encapsulation is demonstrated by the X-ray diffraction structure of crystallized U 20 , which reveals a Na + cation under each pentagonal face (Sigmon et al., 2009). Computational modeling shows that, while the negative charge of U 20 is spread among all the oxygen atoms, the internal ‘-yl’ oxygens host the most negative charge (Miro and Bo, 2012). This negative charge is reduced through the complexation of the templating sodium ions in the interior of the UPOM. Furthermore, Nyman et al. (2011) shows that cesium can exit through the pentagonal window of U 28 in the aqueous phase, suggesting that the TRU elements, which are smaller than cesium, may be capable of entering a UPOM through these windows in an exchange reaction. Under this project, we focused on hafnium, neptunium, and plutonium interactions with UPOMs.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS2018

Imaging Plasma Density Structures in the Soft X-Rays Generated by Solar Wind Charge Exchange with Neutrals

Both heliophysics and planetary physics seek to understand the complex nature of the solar wind's interaction with solar system obstacles like Earth's magnetosphere, the ionospheres of Venus and Mars, and comets. Studies with this objective are frequently conducted with the help of single or multipoint in situ electromagnetic field and particle observations, guided by the predictions of both local and global numerical simulations, and placed in context by observations from far and extreme ultraviolet (FUV, EUV), hard X-ray, and energetic neutral atom imagers (ENA). Each proposed interaction mechanism (e.g., steady or transient magnetic reconnection, local or global magnetic reconnection, ion pick-up, or the Kelvin- Helmholtz instability) generates diagnostic plasma density structures. The significance of each mechanism to the overall interaction (as measured in terms of atmospheric/ionospheric loss at comets, Venus, and Mars or global magnetospheric/ionospheric convection at Earth) remains to be determined but can be evaluated on the basis of how often the density signatures that it generates are observed as a function of solar wind conditions. This paper reviews efforts to image the diagnostic plasma density structures in the soft (low energy, 0.1-2.0 keV) X-rays produced when high charge state solar wind ions exchange electrons with the exospheric neutrals surrounding solar system obstacles.

Sibeck, David G.↗

DOE OSTI2020

Supramolecular Exchange among Assemblies of Opposite Charge Leads to Hierarchical Structures

Abstract not provided

Wester, James R.↗

DOE OSTI2023

Coalescing Cation Selectivity Approaches in Ionomers

Inconsistent selectivity measures used in the literature to quantify an ionomer’s preference for one ion over another make it challenging to compare uptake of different ions across studies. Preferential ion-partitioning, which leads to partially exchanged membranes, needs to be studied to gain a fundamental understanding of the nature of ion/membrane interactions as well as to begin to unravel how varying ion fractions, whether or not intentional, may affect the membrane’s properties and thus durability and performance. In this focus review, we use Nafion as a prototypical example to explore partial exchange studies and codify the various literature experiments and theory into a comprehensive whole, enabling formation of ionomer databases. Here, a few representative approaches to selectivity are dissected to identify the points of divergence between them as well as to re-examine the embedded assumptions therein. Lastly, modeling strategies for ion selectivity of the membrane are reviewed to arrive at and correlate fundamental ion properties to ionomer selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Elucidating the Role of Dimensionality on the Electronic Structure of the Van der Waals Antiferromagnet NiPS 3

Abstract The sustained interest in investigating magnetism in the 2D limit of insulating antiferromagnets is driven by the possibilities of discovering, or engineering, novel magnetic phases through layer stacking. However, due to the difficulty of directly measuring magnetic interactions in 2D antiferromagnets, it is not yet understood how intra layer magnetic interactions in insulating , strongly correlated, materials can be modified through layer proximity. Herein, the impact of reduced dimensionality in the model van der Waals antiferromagnet NiPS 3 is explored by measuring electronic excitations in exfoliated samples using Resonant Inelastic X‐ray Scattering (RIXS). The resulting spectra shows systematic broadening of NiS 6 multiplet excitations with decreasing layer count from bulk down to three atomic layers (3L). It is shown that these trends originate from a decrease in transition metal‐ligand and ligand–ligand hopping integrals, and by charge‐transfer energy evolving from Δ = 0.83 eV in the bulk to 0.37 eV in 3L NiPS 3 . Relevant intralayer magnetic exchange integrals computed from the electronic parameters exhibit a decrease in the average interaction strength with thickness. This study underscores the influence of inter layer electronic interactions on intra layer ones in insulating magnets, indicating that magnetic Hamiltonians in few‐layer insulating magnets can greatly deviate from their bulk counterparts.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Interplay of pressure and temperature in modulating the magnetic properties of Cr 2 O 3

The spin-lattice interaction is pivotal in tailoring materials properties and is crucial for developing novel spintronic devices. Here, in the current work, we aim to explore the effects of pressure and temperature on the magnetic properties of Cr 2 O 3 to gain insights into its spin-lattice interaction. Through high-pressure neutron diffraction experiments, we observed an enhancement of the magnetic Bragg intensity with increasing pressure and it becomes more pronounced as the temperature increases. Results from first-principles calculations reveal a strengthening of the easy-axis magnetic anisotropy, doubling from 0 to 20 GPa. The exchange parameters, calculated based on this spin orientation, show an enhancement of the dominant magnetic interactions and an increase of magnetic ordering temperature when pressure increases. These findings suggest that the contributions from these two mechanisms are responsible for the observed increase in magnetic Bragg intensity.

Cr2O3↗

DOE OSTI2024

Enhanced Cross-Shelf Exchange by the Eddies Associated With Plume Front

Broadened width of high chlorophyll concentration band with wavy structures, patches, and filaments are often observed along the western coastal next to the Pearl River Estuary over the northern South China Sea shelf during the transition period from winter to summer monsoon. Whereas, there is no such wide band in other seasons. By using a high-resolution numerical model, we reveal that the complex structure and wider band of high coastal chlorophyll concentration results from the smaller scale eddies (about 20–50 km in diameter) associated with buoyant plume-induced salinity front and density fronts, which are roughly along the 30 and 50 m isobaths, respectively. Two trains of eddies are formed along the fronts by the baroclinic instability triggered by frequently alternating winds over the fronts during the period of monsoon transition. The influences of these two trains of eddies are extended in the cross-shelf direction by their interactions, and they can temporally enhance the cross-shelf flow and material exchange. In conclusion, they serve as an efficient pathway to link the inner shelf toward the continental slope.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRSDate not supplied

Cross-Scale and Cross-Interface Processes and Arctic Amplification

The Arctic is a dynamic region, demonstrated by its remarkable internal variability and rapid response to anthropogenic climate change over the last 40 years. Actionable predictions and projections hold significant value for managing both natural and human systems. The value of these model outputs only grows in a warmer, less icy Arctic. However, substantial gaps exist in our understanding of cross-scale and cross-interface (air-sea ice-ocean) interactions that limit our predictive capabilities. Studies dating back at least 40 years provide evidence that the evolution of the Arctic climate system is sensitive to these cross-scale and cross-interface interactions. This presentation summarizes our understanding of cross-scale and cross-interface interactions relevant to the Arctic’s response to anthropogenic climate change—Arctic Amplification. The presentation emphasizes the influence of surface-type dependent turbulent flux exchanges of heat and moisture, the rectification of episodic atmospheric heat transport events on time-averaged changes, local and remote feedback interactions, and cross-seasonal energy transfers. The presentation concludes with a summary of knowledge gaps and discusses potential pathways for accelerating our understanding of the Arctic climate system.

Patrick C. Taylor↗

NASA NTRSDate not supplied

The Importance of Cross-Scale and Cross-Interface Processes on Arctic Amplification

The Arctic is a dynamic region, demonstrated by its remarkable internal variability and rapid response to anthropogenic climate change over the last >40 years. Actionable predictions and projections hold significant value for managing both natural and human systems. The value of these model outputs only grows in a warmer, less icy Arctic. However, substantial gaps exist in our understanding of cross-scale and cross-interface (air-sea ice-ocean) interactions that limit our predictive capabilities. Studies dating back at least 40 years provide evidence that the evolution of the Arctic climate system is sensitive to these cross-scale and cross-interface interactions. This presentation summarizes our understanding of cross-scale and cross-interface interactions relevant to the Arctic’s response to anthropogenic climate change—Arctic Amplification. The presentation emphasizes the influence of surface-type dependent turbulent flux exchanges of heat and moisture, the rectification of episodic atmospheric heat transport events on time-averaged changes, local and remote feedback interactions, and cross-seasonal energy transfers. The presentation concludes with a summary of knowledge gaps and discusses potential pathways for accelerating our understanding of the Arctic climate system.

Patrick C Taylor↗

NASA NTRSDate not supplied

Cross-Scale and Cross-Interface Processes and Arctic Amplification

Patrick C. Taylor↗

DOE OSTI2024

Metabolic interactions shape emergent biofilm structures in a conceptual model of gut mucosal bacterial communities

Abstract The gut microbiome plays a major role in human health; however, little is known about the structural arrangement of microbes and factors governing their distribution. In this work, we present an in silico agent-based model (ABM) to conceptually simulate the dynamics of gut mucosal bacterial communities. We explored how various types of metabolic interactions, including competition, neutralism, commensalism, and mutualism, affect community structure, through nutrient consumption and metabolite exchange. Results showed that, across scenarios with different initial species abundances, cross-feeding promotes species coexistence. Morphologically, competition and neutralism resulted in segregation, while mutualism and commensalism fostered high intermixing. In addition, cooperative relations resulted in community properties with little sensitivity to the selective uptake of metabolites produced by the host. Moreover, metabolic interactions strongly influenced colonization success following the invasion of newcomer species. These results provide important insights into the utility of ABM in deciphering complex microbiome patterns.

Biotechnology & Applied Microbiology↗

DOE OSTI2020

Rethinking the magnetic properties of lepidocrocite: A density functional theory and cluster expansion study

The iron oxyhydroxide lepidocrocite (g-FeOOH) is an abundant mineral critical to a number of chemical and technological applications. Of particular interest is the ground state and nite temperature magnetic order, and the subsequent impact this has upon crystal properties. The magnetic properties, investigated in this work are governed primarily through superexchange interactions, and have been calculated using density functional theory and cluster expansion methods. Quantication of these exchange terms has facilitated the determination of the ground state magneto-crystalline structure and subsequent calculation of its lattice constants, elastic moduli, cohesive enthalpy, and electronic density of states. Further, using a collinear magnetic conguration model, the magnetic heat capacity versus temperature has been studied and the Neel temperature obtained.

Pope, Daniel J.↗