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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

CRNT4SBML: a Python package for the detection of bistability in biochemical reaction networks

Motivation: Signaling pathways capable of switching between two states are ubiquitous within living organisms. They provide the cells with the means to produce reversible or irreversible decisions. Switchlike behavior of biological systems is realized through biochemical reaction networks capable of having two or more distinct steady states which are dependent on initial conditions. Investigation of whether a certain signaling pathway can confer bistability involves a substantial amount of hypothesis testing. The cost of direct experimental testing can be prohibitive. Therefore, constraining the hypothesis space is highly bene?cial. One such methodology is based on Chemical Reaction Network Theory which uses computational techniques to rule out pathways that are not capable of bistability regardless of kinetic constant values and molecule concentrations. Although useful, these methods are complicated from both pureandcomputationalmathematicsperspectives.Thus,theiradoptionisverylimitedamongstbiologists. Results: We brought Chemical Reaction Network Theory approaches closer to experimental biologists by automating all the necessary steps in CRNT4SMBL. The input is based on SBML format which is the community standard for biological pathway communication. The tool parses SBML and derives C-graph representations of the biological pathway with mass action kinetics. Next steps involve an ef?cient search for potential saddle-node bifurcation points using an optimization technique. This type of bifurcation is important as it has the potential of acting as a switching point between two steady states. Finally, if any bifurcation points are present, numerical continuation analysis extends the equilibria branches for generating the diagram. Presence of an S-shaped bifurcation diagram indicates that the pathway acts as a bistable switch for the given optimization parameters. Availability: CRNT4SBML is available via the Python Package Index. The documentation can be found at https://crnt4sbml.readthedocs.io. CRNT4SBML is licensed under the Apache Software License 2.0. Contact: vladislav.petyuk@pnnl.gov

Reyes, Brandon C.↗
DOE OSTI2026

Defect-Limited Carrier Lifetime in Epitaxially Strained Germanium-On-Silicon Heterostructures

Epitaxially strained germanium-on-silicon (Ge-on-Si) heterostructures are central to next-generation photonic and electronic devices, yet their performance remains strongly constrained by defect-limited carrier lifetimes. In this work, we investigate the impact of defects on the carrier lifetime in relaxed Ge-on-Si and strained Ge-on-Si heterostructures. High-resolution X-ray diffraction quantifies the strain-state in Ge and reveals signatures of strain relaxation due to lattice mismatch. Cross-sectional and plan-view transmission electron microscopy analyses enable direct visualization of interfacial defects and quantification of threading dislocation densities (TDDs) within the Ge layer. However, the presence of a dense misfit dislocation network obscures the threading dislocation signatures, preventing reliable TDD determination by plan-view transmission electron microscopy in strained-Ge (..epsilon..-Ge). To assess the defect density in this case, etch-pit density measurements were performed, providing an alternative means of quantifying the TDDs in the ..epsilon..-Ge layer. Carrier lifetime measurements by microwave-reflection photoconductive decay reveal a clear relationship with TDDs ranging from 5 x 103 cm-2 to 2 x 1010 cm-2, confirming Shockley-Read-Hall recombination as the limiting mechanism at lower defect densities, with TDD-dominated recombination at higher defect densities. The Ge-on-Si relaxed heterostructure exhibited lifetimes much lower (~12 ns) than the lattice-matched Ge on gallium arsenide (GaAs) (~158 ns) heterostructure. Introducing controlled tensile strain reduces defect formation, suppresses strain-relaxation pathways, and leads to measurable improvements in minority carrier lifetime from 12 ns to 171 ns. These results establish a direct relation between defect suppression and carrier recombination dynamics in both relaxed Ge-on-Si grown directly on Si and strained Ge-on-Si heterostructures incorporating compound-semiconductor buffer layers, offering a materials-driven pathway for engineering Ge with improved carrier lifetime for photonic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mesh-like structure integrated core-shell-shell nanocomposites for enhanced stability and performance in carbon capture

Carbon capture is essential for mitigating climate change, yet most sorbents struggle to combine high capacity with chemical stability. Here we report core-shell-shell (CSS) nanocomposites that integrate adsorption efficiency with exceptional robustness. The design couples a metal-organic framework (MOF) core, which enriches local CO 2 concentration, with a polyamine shell that is reorganized into a porous, ordered network through entanglement with an outer covalent organic framework (COF) shell. This hierarchical architecture enables dual amine functionalization via sequential “click” and Schiff-base reactions, achieving a CO 2 uptake of 3.4 mmol g −1 at 1 bar. The COF outer layer also acts as a protective barrier, suppressing humidity interference and doubling cycling stability under simulated flue gas. Remarkably, the nanocomposites maintain structural integrity after one week in strongly acidic (3 M HNO 3 ) or basic (NaOH, pH=14) environments, underscoring their chemical resilience. By uniting high capacity, cycling durability, and environmental tolerance, this CSS strategy offers a versatile platform for next-generation carbon capture materials.

Yang, Sizhuo [Lawrence Berkeley National Laborator↗
NASA NTRS2017

Enabling Future Science and Human Exploration with NASA's Next Generation near Earth and Deep Space Communications and Navigation Architecture

The National Aeronautics and Space Administration (NASA) is studying alternatives for the United States space communications architecture through the 2040 timeframe. This architecture provides communication and navigation services to both human exploration and science missions throughout the solar system. Several of NASA's key space assets are approaching their end of design life and major systems are in need of replacement. The changes envisioned in the relay satellite architecture and capabilities around both Earth and Mars are significant undertakings and occur only once or twice each generation, and therefore is referred to as NASA's next generation space communications architecture. NASA's next generation architecture will benefit from technology and services developed over recent years. These innovations will provide missions with new operations concepts, increased performance, and new business and operating models. Advancements in optical communications will enable high-speed data channels and the use of new and more complex science instruments. Modern multiple beam/multiple access technologies such as those employed on commercial high throughput satellites will enable enhanced capabilities for on-demand service, and with new protocols will help provide Internet-like connectivity for cooperative spacecraft to improve data return and coordinate joint mission objectives. On-board processing with autonomous and cognitive networking will play larger roles to help manage system complexity. Spacecraft and ground systems will coordinate among themselves to establish communications, negotiate link connectivity, and learn to share spectrum to optimize resource allocation. Spacecraft will autonomously navigate, plan trajectories, and handle off-nominal events. NASA intends to leverage the ever-expanding capabilities of the satellite communications industry and foster its continued growth. NASA's technology development will complement and extend commercial capabilities to meet unique space environment requirements and to provide capabilities that are beyond the commercial marketplace. The progress of the communications industry, including the emerging global space internet segment and its planned constellations of 100's of satellites offer additional opportunities for new capability and mission concepts. The opportunities and challenges of a future space architecture require an optimal solution encompassing a global perspective. The concepts and technologies intentionally define an architecture that applies not only to NASA, but to other U.S. government agencies, international space and government agencies, and domestic and international industries to advance the openness, interoperability, and affordability of space communications. Cooperation among the worlds space agencies, their capabilities, standards, operations, and interoperability are key to advancing humankind's understand of the universe and extending human presence into the solar system.

Communications↗
NASA NTRS2017

Enabling Future Science and Human Exploration with NASA's Next Generation Near Earth and Deep Space Communications and Navigation Architecture

The National Aeronautics and Space Administration (NASA) is studying alternatives for the United States space communications architecture through the 2040 timeframe. This architecture provides communication and navigation services to both human exploration and science missions throughout the solar system. Several of NASA's key space assets are approaching their end of design life and major systems are in need of replacement. The changes envisioned in the relay satellite architecture and capabilities around both Earth and Mars are significant undertakings and occur only once or twice each generation, and therefore is referred to as NASA's next generation space communications architecture. NASA's next generation architecture will benefit from technology and services developed over recent years. These innovations will provide missions with new operations concepts, increased performance, and new business and operating models. Advancements in optical communications will enable high-speed data channels and the use of new and more complex science instruments. Modern multiple beam/multiple access technologies such as those employed on commercial high throughput satellites will enable enhanced capabilities for on-demand service, and with new protocols will help provide Internet-like connectivity for cooperative spacecraft to improve data return and coordinate joint mission objectives. On-board processing with autonomous and cognitive networking will play larger roles to help manage system complexity. Spacecraft and ground systems will coordinate among themselves to establish communications, negotiate link connectivity, and learn to share spectrum to optimize resource allocation. Spacecraft will autonomously navigate, plan trajectories, and handle off-nominal events. NASA intends to leverage the ever-expanding capabilities of the satellite communications industry and foster its continued growth. NASA's technology development will complement and extend commercial capabilities to meet unique space environment requirements and to provide capabilities that are beyond the commercial marketplace. The progress of the communications industry, including the emerging global space internet segment and its planned constellations of 100's of satellites offer additional opportunities for new capability and mission concepts. The opportunities and challenges of a future space architecture require an optimal solution encompassing a global perspective. The concepts and technologies intentionally define an architecture that applies not only to NASA, but to other U.S. government agencies, international space and government agencies, and domestic and international industries to advance the openness, interoperability, and affordability of space communications. Cooperation among the worlds space agencies, their capabilities, standards, operations, and interoperability are key to advancing humankinds understand of the universe and extending human presence into the solar system.

deep space↗
DOE OSTI2021

Reconstructing patchy reionization with deep learning

The precision anticipated from next-generation cosmic microwave background (CMB) surveys will create opportunities for characteristically new insights into cosmology. Secondary anisotropies of the CMB will have an increased importance in forthcoming surveys, due both to the cosmological information they encode and the role they play in obscuring our view of the primary fluctuations. Quadratic estimators have become the standard tools for reconstructing the fields that distort the primary CMB and produce secondary anisotropies. While successful for lensing reconstruction with current data, quadratic estimators will be suboptimal for the reconstruction of lensing and other effects at the expected sensitivity of the upcoming CMB surveys. In this paper we describe a convolutional neural network, ResUNet-CMB, that is capable of the simultaneous reconstruction of two sources of secondary CMB anisotropies, gravitational lensing and patchy reionization. Furthermore, we show that the ResUNet-CMB network significantly outperforms the quadratic estimator at low noise levels and is not subject to the lensing-induced bias on the patchy reionization reconstruction that would be present with a straightforward application of the quadratic estimator.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Smart Methane Emission Detection System Development Final Report

Working with the Department of Energy's National Energy Technology Laboratory, Southwest Research Institute® (SwRI®) developed a system to identify methane leaks reliably, accurately, and autonomously at critical midstream sections of the natural gas distribution network in real- time for the purpose of mitigating methane emissions using Optical Gas Imaging (OGI) cameras. SwRI's Smart Leak Detection – Methane (SLED/M) adds a high degree of automation to the process of methane leak detection to minimize sources of human error, minimize response time to a leak event, and maximize midstream visibility. Furthermore, SwRI has been working towards integrating Quantitative OGI (QOGI) capabilities into this existing technology. By leveraging Deep Learning, SwRI now has the capability to estimate fugitive emission leak rates quickly and reliably, which allows operators to detect emissions, quantify leak rate, prioritize repairs, and validate the repairs in a single instrument. The next generation QOGI technology leverages the same cameras used in Leak Detection and Repair (LDAR) programs, with improvements in safety and speed for traditional quantification-based repairs, ultimately leading to less overhead cost for the operators.

03 NATURAL GAS↗
NASA NTRS1997

Algorithms for Performance, Dependability, and Performability Evaluation using Stochastic Activity Networks

Modeling tools and technologies are important for aerospace development. At the University of Illinois, we have worked on advancing the state of the art in modeling by Markov reward models in two important areas: reducing the memory necessary to numerically solve systems represented as stochastic activity networks and other stochastic Petri net extensions while still obtaining solutions in a reasonable amount of time, and finding numerically stable and memory-efficient methods to solve for the reward accumulated during a finite mission time. A long standing problem when modeling with high level formalisms such as stochastic activity networks is the so-called state space explosion, where the number of states increases exponentially with size of the high level model. Thus, the corresponding Markov model becomes prohibitively large and solution is constrained by the the size of primary memory. To reduce the memory necessary to numerically solve complex systems, we propose new methods that can tolerate such large state spaces that do not require any special structure in the model (as many other techniques do). First, we develop methods that generate row and columns of the state transition-rate-matrix on-the-fly, eliminating the need to explicitly store the matrix at all. Next, we introduce a new iterative solution method, called modified adaptive Gauss-Seidel, that exhibits locality in its use of data from the state transition-rate-matrix, permitting us to cache portions of the matrix and hence reduce the solution time. Finally, we develop a new memory and computationally efficient technique for Gauss-Seidel based solvers that avoids the need for generating rows of A in order to solve Ax = b. This is a significant performance improvement for on-the-fly methods as well as other recent solution techniques based on Kronecker operators. Taken together, these new results show that one can solve very large models without any special structure.

Deavours, Daniel D.↗
NASA NTRS2021

NASA SpaceCube Edge TPU SmallSat Card for Autonomous Operations and Onboard Science-Data Analysis

Using state-of-the-art artificial intelligence (AI)frameworks onboard spacecraft is challenging because common spacecraft processors cannot provide comparable performance to datacenters with server-grade CPUs and GPUs available for terrestrial applications and advanced deep-learning networks. This limitation makes small, lo w-p o we r AI microchip architectures, such as the Google Coral Edge Tensor Processing Unit (TPU), attractive for space missions where the application-specific design enables both high-performance and power-efficient computing for AI applications. To address these challenging considerations for space deployment, this research introduces the design and capabilities of a CubeSat-sized Edge TPU-based co-processor card, known as the SpaceCube Low-power Ed g e Artificial Intelligence Resilient Node (SC-LEARN). This design conforms to NASA’s CubeSat Card Specification (CS2) for integration into next-generation SmallSat and CubeSat systems. This paper describes the overarching architecture and design of the SC-LEARN, as well as, the supporting test card designed for rapid prototyping and evaluation. The SC-LEARN was developed with three operational modes: (1) a high-performance parallel-processing mode,(2)a fault-tolerant mode for onboard resilience, and (3) a power-saving mode with cold spares. Importantly, this research also elaborates on both training and quantization of Tensor Flow models for the SC-LEARN for use onboard with representative, open-source datasets. Lastly, we describe future research plans, including radiation-beam testing and flight demonstration.

Advanced avionics↗
DOE OSTI2022

All-Electric Nonassociative Learning in Nickel Oxide

Habituation and sensitization represent nonassociative learning mechanisms in both non-neural and neural organisms. They are essential for a range of functions from survival to adaptation in dynamic environments. Design of hardware for neuroinspired computing strives to emulate such features driven by electric bias and can also be incorporated into neural network algorithms. Herein, cellular-like learning in oxygen-deficient NiO x devices is demonstrated. Both habituation learning and sensitization response can be achieved in a single device by simply controlling the magnitude of the electric field. Spontaneous memory relaxations and dynamic redistribution of oxygen vacancies under electric bias enable such learning behavior of NiO x under sequential training. These characteristics in simple device arrays are implemented to learn alphabets as well as demonstrate simulated algorithmic use cases in digit recognition. Transition metal oxides with carefully prepared defect concentrations can be highly sensitive to electronic structure perturbations under moderate electrical stimulus and serve as building blocks for next-generation neuroinspired computing hardware.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Comparative Studies of the Structural and Transport Properties of Molten Salt FLiNaK Using the Machine-Learned Neural Network and Reparametrized Classical Forcefields

Despite surging interest in molten salt reactors and thermal storage systems, knowledge of the physicochemical properties of molten salts are still inadequate due to demanding experiments that require high temperature, impurity control, and corrosion mitigation. Therefore, the ability to predict these properties for molten salts from first-principles computations is urgently needed. Herein, we developed and compared a machine-learned neural network force field (NNFF) and a reparametrized rigid ion model (RIM) for a prototypical molten salt LiF–NaF–KF (FLiNaK). We found that NNFF was able to reproduce both the structural and transport properties of the molten salt with first-principles accuracy and classical-MD computational efficiency. Furthermore, the correlation between the local atomic structures and the dynamics was identified by comparing with RIMs, suggesting the significance of polarization of anions implicitly embedded in the NNFF. Furthermore, this work demonstrated a computational framework that can facilitate the screening of molten salts with different chemical compositions, impurities, and additives, and at different thermodynamic conditions suitable for the next-generation nuclear reactors and thermal energy storage facilities.

36 MATERIALS SCIENCE↗
NASA NTRS2016

An Influenced Future

Phobos is a vital precursor and catalyst before our next giant leap to Mars. The principle period of a Phobos' mission could be a series of robotic precursor missions for experimental perception, soil examination, ecological approval and landing site distinguishing proof. For my summer intern position at Johnson Space Center I chipped away at creating a GUNNS (General Use Nodal Network Solver) based power subsystem model for the miniATHLETE hopper, which is a conceptual (idea-based) robotic lander that will operate on Phobos. Keeping in mind the end goal to begin on my venture, I needed to comprehend my undertaking before whatever else, in which I concentrated on C++ to see how to implement the code that GUNNS generates to a Trick S_define file. Prior to coming to this internship at Johnson Space Center Dr. Edwin Zack Crues provided a class on modeling and simulation, which introduced me to the Trick simulation environment. The goal of my project was to develop a GUNNS based power subsystem model for the miniATHLETE hopper. The model needed to incorporate a solar array, battery, hopping legs, and onboard scientific instruments (sensitive measuring/recording devices). The secondary bonus goal after I completed the electrical aspect of my model was to develop a GUNNS based thermal subsystem model for the miniATHLETE hopper. Stringing the two aspects together, I would need to code up a signal aspect to make the system work as one. Accomplishing my goals would not be an easy thing, however I had successfully completed the electrical aspect model with twenty-four servos, six cameras, and multiple sensors. Venturing to complete my project has eluded me to many failures in my design to tune many things like the battery to the proper voltage and the load to the proper wattage. During this time I had touched up on advanced topics in calculus in which I implemented in the converter in my electrical model. I am currently working with my mentor Zu Qun Li to create a signal aspect to control the temperatures inside my electrical aspect model. During my time at JSC I had effectively figured out how to create subsystem models utilizing Trick and GUNNS. I obtain essential knowledge of power and thermal subsystem design for a robotic vehicle. I also learned how to work and communicate in a team effectively to accomplish a goal. Before coming to Johnson Space Center my future career and educational goals included uncertainty, however now I have a completely new look on my path to a prosperous future. My NASA experience has unquestionably impacted me to accomplish and surpass my own particular desires. After my time at Johnson Space Center I plan to apply for a coop position for NASA. This has been a dream come true that I adored each moment being at JSC realizing that I am far fit for doing things most individuals can just long for.

Owens, Christopher↗
DOE OSTI2026

Dynamic Interfacial Design in Adaptive Hybrid Materials Enables Reversible and Tunable Mechano-Optic Smart Responses

Next-generation polymeric materials are shifting toward adaptive and interactive behaviors of living systems; however, designing materials that can reversibly modulate optical properties under mechanical deformation while maintaining mechanical robustness remains a key challenge. Here, we report a mechanically robust vitrimer-based adaptive hybrid material (AHM) that exhibits a stretch-induced reversible transparency-to-opacity transition, enabled by the integration of dynamic interactions at the polymer–silica nanoparticle interface and controlled nanoparticle self-assembly. The AHM combines boronic ester–functionalized polystyrene-b-poly(ethylene-co-butylene)-b-polystyrene (S-Bpin) with diol-functionalized silica nanoparticles (diol-SiNPs) to form a hybrid network hosting both dynamic boronic ester and hydrogen-bonding interactions. These reversible linkages facilitate controlled nanoparticle self-assembly and enable strain-induced nanoparticle alignment/aggregation. Upon stretching, SiNP-rich domains align and aggregate within the polymer matrix, while local modulus mismatch between stiff aggregated SiNP/borylated-styrene-rich regions and the softer elastomeric midblock induces surface microwrinkle formation. These internal aggregates and surface wrinkles cooperatively enhance light scattering, producing the opaque state under strain. Furthermore, the tailored AHM exhibits high toughness, thermomechanical stability, reprocessability, and programmable shape-memory behavior. This work presents a dynamic interfacial design strategy for mechanically robust, optically reconfigurable, and reusable soft materials for adaptive optics, smart windows, sensing, soft robotics, and circular smart-material platforms.

adaptive hybrid materials↗
DOE OSTI2021

Probing gravity and growth of structure with gravitational waves and galaxies’ peculiar velocity

The low-redshift velocity field is a unique probe of the growth of cosmic structure and gravity. Here, we propose to use distances from gravitational wave (GW) detections, in conjunction with the redshifts of their host galaxies from wide field spectroscopic surveys (e.g., DESI, 4MOST, TAIPAN), to measure peculiar motions within the local Universe. Such measurement has the potential to constrain the growth rate f σ 8 and test gravity through determination of the gravitational growth index γ , complementing constraints from other peculiar velocity measurements. We find that binary neutron star mergers with associated counterpart at z ≲ 0.2 that will be detected by the Einstein Telescope (ET) will be able to constrain f σ 8 to ~ 3 % precision after 10 years of operations when combined with galaxy overdensities from DESI and TAIPAN. If a larger network of third generation GW detectors is available (e.g., including the Cosmic Explorer), the same constraints can be reached over a shorter timescale ( ~ 5 years for a 3 detectors network). The same events (plus information from their hosts’ redshifts) can constrain γ to σ γ ≲ 0.04 . This constraint is precise enough to discern general relativity from other popular gravity models at 3 σ . This constraint is improved to σ γ ~ 0.02 – 0.03 when combined with galaxy overdensities. The potential of combining galaxies’ peculiar velocities with gravitational wave detections for cosmology highlights the need for extensive optical to near-infrared follow-up of nearby gravitational wave events, or exquisite GW localization, in the next decade.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A hybrid neural architecture: Online attosecond x-ray characterization

The emergence of high-repetition-rate x-ray free-electron lasers (XFELs), such as SLAC’s LCLS-II, serves as our canonical example for autonomous controls that necessitate high-throughput diagnostics paired with streaming computational pipelines capable of single-shot analysis with extremely low latency. We present the deterministic characterization with an integrated parallelizable hybrid resolver architecture, a hybrid machine learning framework designed for fast, accurate analysis of XFEL diagnostics using angular streaking-based sinogram images. This architecture integrates convolutional neural networks and bidirectional long short-term memory models to denoise input, identify x-ray sub-spike features, and extract sub-spike relative delays with sub-30 attosecond temporal resolution. Deployed on low-latency hardware, it achieves over 10 kHz throughput with 168.3 μs inference latency, indicating scalability to 14 kHz with field-programmable gate array integration. By transforming regression tasks into classification problems and leveraging optimized error encoding, we achieve high precision with low-latency performance that is critical for real-time streaming event selection and experimental control feedback signals. This represents a key development in real-time control pipelines for next-generation autonomous science, generally, and high repetition-rate x-ray experiments in particular.

Accelerator Physics (physics.acc-ph)↗
NASA NTRS1992

Using neural networks and Dyna algorithm for integrated planning, reacting and learning in systems

The traditional AI answer to the decision making problem for a robot is planning. However, planning is usually CPU-time consuming, depending on the availability and accuracy of a world model. The Dyna system generally described in earlier work, uses trial and error to learn a world model which is simultaneously used to plan reactions resulting in optimal action sequences. It is an attempt to integrate planning, reactive, and learning systems. The architecture of Dyna is presented. The different blocks are described. There are three main components of the system. The first is the world model used by the robot for internal world representation. The input of the world model is the current state and the action taken in the current state. The output is the corresponding reward and resulting state. The second module in the system is the policy. The policy observes the current state and outputs the action to be executed by the robot. At the beginning of program execution, the policy is stochastic and through learning progressively becomes deterministic. The policy decides upon an action according to the output of an evaluation function, which is the third module of the system. The evaluation function takes the following as input: the current state of the system, the action taken in that state, the resulting state, and a reward generated by the world which is proportional to the current distance from the goal state. Originally, the work proposed was as follows: (1) to implement a simple 2-D world where a 'robot' is navigating around obstacles, to learn the path to a goal, by using lookup tables; (2) to substitute the world model and Q estimate function Q by neural networks; and (3) to apply the algorithm to a more complex world where the use of a neural network would be fully justified. In this paper, the system design and achieved results will be described. First we implement the world model with a neural network and leave Q implemented as a look up table. Next, we use a lookup table for the world model and implement the Q function with a neural net. Time limitations prevented the combination of these two approaches. The final section discusses the results and gives clues for future work.

Lima, Pedro↗
DOE OSTI2021

Development of Approaches to Model Excited State Charge and Energy Transfer in Solution

The development of next generation energy conversion and catalytic systems requires fundamental understanding of the interplay between photo-excitation and the resulting proton and electron transfer processes that occur in solution. To address these challenges requires accurate and efficient methods to compute ground and excited states, as well as the ability to treat the dynamics of energy transfer in the presence of solvent fluctuations. Our team is developing accurate and efficient theoretical models for solution phase reactions. These developments provide an improved understanding of photo-initiated excitations, electron transfer, and proton coupled electron transfer processes. Our research team brings together expertise in electron and nuclear dynamics (classical and quantum), electronic structure, and analysis of solvation networks. We are developing and validating techniques for modeling condensed phase charge and energy transfer and to simulate the methods to monitor them using optical and vibrational spectroscopy.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2019

Building Foundations for International Collaboration Through Educational Outreach Initiatives

As human space exploration pursues journeying to the Moon and Mars, international and intercultural collaboration is key for the success of such ambitious goals. Since 2014, NASA's Johnson Space Center (JSC) Hispanic Employee Resource Group (HERG) has established relationships and participated in outreach events with emerging space organizations in Latin America with educational and public outreach as a common goal. Such efforts align with strategic goals to empower the next generation of innovators and explorers and to champion the development of space exploration capabilities. This paper discusses the partnerships developed to introduce Spanish speaking populations to science, space technology, aeronautics, research and development through television, webcasts and social media. The authors share accomplishments, challenges, and lessons learned to build foundations for international collaboration to ignite research and innovation and propel human space exploration. The methodology makes use of Space Act Agreements to leverage existing outreach materials and programs and translate the content into Spanish for the benefit of students, educational organizations and the public in general. The plan is to apply the same model in other regions and countries to create a Latin American network of language translation and diffusion of science and space technology content targeting emerging space sectors. This model could be used to reach out to other international communities to provide cultural and educational outreach for space exploration and research.

Fontanot, Carlos↗