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NASA NTRS2017

Work Term Assignment Spring 2017

My tour in the Engineering Robotics directorate exceeded my expectations. I learned lessons about Creo, manufacturing and assembly, collaboration, and troubleshooting. During my first tour, last spring, I used Creo on a smaller project, but had limited experience with it before starting in the Dynamic Systems Test branch this spring. I gained valuable experience learning assembly design, sheet metal design and designing with intent for manufacturing and assembly. These skills came from working both on the hatch and the floor. I also learned to understand the intent of other designers on models I worked with. While redesigning the floor, I was modifying an existing part and worked to understand what the previous designer had done to make it fit with the new model. Through working with the machine shop and in the mock-up, I learned much more about manufacturing and assembly. I used a Dremel, rivet gun, belt sander, and countersink for the first time. Through taking multiple safety training for different machine shops, I learned new machine shop safety skills specific to each one. This semester also gave me new collaborative opportunities. I collaborated with engineers within my branch as well as with Human Factors and the building 10 machine shop. This experience helped me learn how to design for functionality and assembly, not only for what would be easiest in my designs. In addition to these experiences, I learned many lessons in troubleshooting. I was the first person in my office to use a Windows 10 computer. This caused unexpected issues with NASA services and programs, such as the Digital Data Management Server (DDMS). Because of this, I gained experience finding solutions to lockout and freeze issues as well as Creo specific settings. These will be useful skills to have in the future and will be implemented in future rotations. This co-op tour has motivated me more to finish my degree and pursue my academic goals. I intend to take a machining Career Gateway Elective in the Fall to improve my skills in building as well as designing with manufacturing intent. I am also inspired to take more mechatronics CGE courses before I graduate to learn more about the crossover between mechanical and electrical engineering. This semester, I worked on multiple projects and had the opportunity to learn from engineers of different disciplines. I became proficient in Creo 2.0, a program I had not used significantly before. I finished modifying the hatch for 3D print and made sizeable modifications to the nose floor support design. I also gained hands-on experience that will be useful in my engineering career in the future. I would consider all of these major achievements from this spring semester. Lastly, I learned to ask more questions and to search for the right people to find answers which I know will be a valuable skill in the future. This summer, I will be completing my last rotation in the Flight Operations Directorate at Ellington Air Field. After this last tour, I will be returning to school for the Fall, Spring and Summer. I will graduate in August of 2018. I am looking forward to learning more about the different jobs available to engineers. This division works directly with many different types of aircrafts and I am excited to learn more about this focus of engineering. The Aircraft Operations Division values team work greatly and I intend to improve my interpersonal skills by working with them this summer.

Sico, Mallory↗

DOE OSTI2024

Hamiltonian learning using machine-learning models trained with continuous measurements

Here, we build upon recent work on the use of machine-learning models to estimate Hamiltonian parameters using continuous weak measurement of qubits as input. We consider two settings for the training of our model: (1) supervised learning, where the weak-measurement training record can be labeled with known Hamiltonian parameters, and (2) unsupervised learning, where no labels are available. The first has the advantage of not requiring an explicit representation of the quantum state, thus potentially scaling very favorably to a larger number of qubits. The second requires the implementation of a physical model to map the Hamiltonian parameters to a measurement record, which we implement using an integrator of the physical model with a recurrent neural network to provide a model-free correction at every time step to account for small effects not captured by the physical model. We test our construction on a system of two qubits and demonstrate accurate prediction of multiple physical parameters in both the supervised context and the unsupervised context. We demonstrate that the model benefits from larger training sets, establishing that it is “learning,” and we show robustness regarding errors in the assumed physical model by achieving accurate parameter estimation in the presence of unanticipated single-particle relaxation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

The Rest-frame Submillimeter Spectrum of High-redshift, Dusty, Star-forming Galaxies from the SPT-SZ Survey

We present the average rest-frame spectrum of the final catalog of dusty star-forming galaxies (DSFGs) selected from the South Pole Telescope's SPT-SZ survey and measured with Band 3 of the Atacama Large Millimeter/submillimeter Array. This work builds on the previous average rest-frame spectrum, given in Spilker et al. (2014) for the first 22 sources, and is comprised of a total of 78 sources, normalized by their respective apparent dust masses. The spectrum spans 1.9 < z < 6.9 and covers rest-frame frequencies of 240–800 GHz. Combining this data with low-J CO observations from the Australia Telescope Compact Array, we detect multiple bright line features from 12 CO, [Ci], and H 2 O, as well as fainter molecular transitions from 13 CO, HCN, HCO + , HNC, CN, H 2 O + , and CH. We use these detections, along with limits from other molecules, to characterize the typical properties of the interstellar medium (ISM) for these high-redshift DSFGs. We are able to divide the large sample into subsets in order to explore how the average spectrum changes with various galaxy properties, such as effective dust temperature. We find that systems with hotter dust temperatures exhibit differences in the bright 12 CO emission lines, and contain either warmer and more excited dense gas tracers or larger dense gas reservoirs. These observations will serve as a reference point to studies of the ISM in distant luminous DSFGs (L IR > 10 12 L ⊙ ), and will inform studies of chemical evolution before the peak epoch of star formation at z = 2–3.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2021

A Distributed Approach to High-Rate Delay Tolerant Networking Within a Virtualized Environment

The High-Rate Delay Tolerant Networking (HDTN) project has taken a distributed service-based approach to the development of a highly efficient delay tolerant networking (DTN) implementation. Through the analysis of many DTN implementations, system and mission requirements as well as the DTN protocol specifications, HDTN has worked to infuse modern computing technologies into the NASA approach to interplanetary networking. The initial use case of the HDTN software runs on a hypervisor representative of the International Space Station (ISS) DTN Gateway. In this scenario, multiple emulated payloads will send science data through HDTN to a mission operations center. HDTN will provide store and forward capability as well as network flow management. This paper discusses the infusion path of cognitive networking technologies in the NASA SCaN networks using the DTN architecture and protocols as the basis for cognitive routing and network management capabilities. HDTN has been developing the Bundle Protocol encoding and decoding mechanisms and messaging framework that can be used as the basis for integrating DTN with various learning and decision-making processes. The concepts of distributed computing, network virtualization, software defined networking and delay tolerant networking are basic building blocks which will further the development of cognitive networking. In addition to discussion of the HDTN software development and testing, this paper examines the role that each of these technologies play in the evolution of the current state of space networking into an intelligent network of networks.

Delay Tolerant Networking↗

NASA NTRS2022

Flight Software Dictionary Development for the Mars2020 Rover

The Mars2020 project, developed and operated by the Jet Propulsion Laboratory (JPL), successfully landed the Perseverance rover and its flying companion Ingenuity on the surface of Mars on February 18th 2021. Perseverance combines heritage and cutting-edge flight software and hardware to accomplish crucial mission requirements related to Martian surface sampling. The design, development, and operation of NASA’s large strategic science missions require the ability to communicate spacecraft capabilities to hundreds of engineers across multiple disciplines. The interaction between flight and ground software development, Verification and Validation (V&V), Assembly, Test, and Launch Operations (ATLO), and management each demand quick understanding of unique slices of information for each discipline. This information includes the current capabilities of the flight system as well as future capabilities and their status as they are developed and tested. Despite the fundamental and critical nature of this information, the flight software dictionaries used to track it are a stumbling block for many projects. These dictionaries provide the cornerstone for the interpretation of data sent from the spacecraft, allowing for quick comprehension by engineers on the ground. During both spacecraft development and operations, flight software dictionary management includes significant challenges due to the large number of interfacing systems and the subtle yet distinct needs of each.The engineering of flight software dictionaries for Mars2020 had numerous challenges, most-notably: parallel dictionary development to support simultaneous separate flight software build campaigns for each mission phase (cruise and surface), managing requests for operations-enabling information without perturbing the heritage interface with the rover, and the introduction of new tools by the dictionary stakeholders that forced the dictionary team to innovate and redesign the heritage tool chain. These challenges generated guiding principles for the dictionary development effort: emphasize coding best practices and unit testing in the dictionary code development tool chain, use institutionally provided COTS (commercial-off-the-shelf) tools whenever possible, and maintain the heritage flight-ground interface all while advancing operations-enabling information via a loosely coupled interface.Throughout development and operations, the Mars2020 dictionary toolchain included IBM DOORS Next Generation, GitHub, Microsoft Excel, Docker, Jenkins, and a significant custom-built Python codebase. Significant interfaces included JPL’s command and control software, heritage flight software team tools and processes, and the many cloud-based ground tools developed for the mission.This paper will discuss the requirements for the Mars2020 dictionary development, the development team’s response to those requirements, lessons learned throughout the process, steps taken towards automated deliveries and continuous integration of stakeholder inputs, potential toolchain improvements for Mars2020, and key takeaways that could be applied to future missions.

Pyrzak, Guy↗

DOE OSTI2022

Model predictive control for active insulation in building envelopes

Active insulation systems (AISs) refer to building envelopes with insulation materials that can change their thermal conductivity and are coupled with thermal mass to reduce building energy consumption and peak power. In this research, a novel optimal control approach is proposed to evaluate the maximum theoretical energy and cost-saving potential of AISs. A time-varying model predictive control (TV-MPC) controller was used to optimally select the AIS mode and simultaneously determine the operation of the heating, ventilation and air conditioning (HVAC) system so that the maximum saving potential of the entire system can be realized. To comprehensively evaluate the power shifting flexibility of AISs, two optimization objectives—minimizing weekly electric energy consumption and minimizing weekly electricity cost—were considered. The summer season simulation results show that under the first objective, more than 50% electric and thermal energy was saved when the upper boundary of the indoor air temperature was set to 25 °C. Furthermore under the second optimization objective, 38% of the cost was saved. It can be expected that the developed approach can be easily applied to multiple types of AISs with different mechanisms.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Control Oriented Models for Co-Design: Technical Overview of MT HVDC, MVDC, and Solid State Transformer Building Blocks

The electric power system is shifting toward a power electronics–enabled grid, where converter based “building blocks” (e.g., high voltage direct current (HVDC) links, multi terminal HVDC (MT HVDC) networks, medium voltage DC (MVDC) links, and solid state transformers (SSTs)) provide fast, precise control of power flows, voltage, and frequency. This report develops and applies publicly shareable electromagnetic transient (EMT) and phasor models to examine how such building blocks can be composed and coordinated to support offshore wind integration, inter area transfers, feeder support, and resilience. Section 2 documents a modular multilevel converter (MMC)–based MT HVDC modeling framework and two use cases: a compact WSCC/IEEE 9 bus test system and a 240 bus “mini WECC” case with five offshore wind plants (OWFs). Phasor to EMT transfer, initialization, and sanity checks are summarized, and neutral demonstrations of normal and contingency operation are reported. Section 3 frames the problem of wind plant inertial frequency response (IFR): shaping energy release and recovery to improve nadir while avoiding aerodynamic stall; representative simulations illustrate the issues without disclosing proprietary control. Section 4 develops MVDC concepts through an IEEE 16 bus loop and an Olympic Peninsula case study that compares AC vs. MVDC corridors and shows how feeder headroom can be pooled via DC couplers. Section 5 surveys SST architectures and identifies a gap: scalable, communication free coordination of multiple SSTs for islanded feeder networks. Across the report, novel methods and configurations under separate publication and IP review are not disclosed; only topic oriented, replicable setups and non proprietary results are shown. These models and use cases are intended as foundations for future publications and co design studies on architecture, control, and coordination of PE enabled grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2008

Expressions Module for the Satellite Orbit Analysis Program

The Expressions Module is a software module that has been incorporated into the Satellite Orbit Analysis Program (SOAP). The module includes an expressions- parser submodule built on top of an analytical system, enabling the user to define logical and numerical variables and constants. The variables can capture output from SOAP orbital-prediction and geometric-engine computations. The module can combine variables and constants with built-in logical operators (such as Boolean AND, OR, and NOT), relational operators (such as >, <, or =), and mathematical operators (such as addition, subtraction, multiplication, division, modulus, exponentiation, differentiation, and integration). Parentheses can be used to specify precedence of operations. The module contains a library of mathematical functions and operations, including logarithms, trigonometric functions, Bessel functions, minimum/ maximum operations, and floating- point-to-integer conversions. The module supports combinations of time, distance, and angular units and has a dimensional- analysis component that checks for correct usage of units. A parser based on the Flex language and the Bison program looks for and indicates errors in syntax. SOAP expressions can be built using other expressions as arguments, thus enabling the user to build analytical trees. A graphical user interface facilitates use.

Edmonds, Karina↗

DOE OSTI2026

Mathematical Models and Numerical Methods for High-Fidelity Simulation of Ignition of Reactive Mixtures by Nanosecond Plasma Discharges in Realistic Configurations

We present a newly developed framework for the numerical simulation of ignition of reactive mixtures using single or repeated nanosecond discharge pulses. The framework builds upon the AMReX library, using the existing compressible solver PeleC and low-Mach solver PeleLMeX and allowing for adaptive mesh refinement, complex geometries, and execution on next-generation high-performance computing (HPC) systems. High-fidelity elementary models are adopted for weakly-ionised plasma discharges with significant energy deposition, consistent with nanosecond discharge pulses, and then implemented in the solver. The treatment of non-thermal electrons and charged species, thermodynamics of non-equilbrium species, plasma kinetics, limiting time scales, and boundary conditions for charged species are discussed and addressed for computational efficiency. The framework is demonstrated for three relevant applications: single and multi-pulse discharges in air, single pulse ignition of an ethylene/air mixture, and a three-dimensional plasma discharge in air with temperature stratification. The successful application of the framework demonstrates the feasibility of high-fidelity simulation of ignition of air/hydrocarbon mixtures in three-dimensions with multiple discharge pulses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Constructing high-fidelity halo merger trees in abacussummit

ABSTRACT Tracking the formation and evolution of dark matter haloes is a critical aspect of any analysis of cosmological N-body simulations. In particular, the mass assembly of a halo and its progenitors, encapsulated in the form of its merger tree, serves as a fundamental input for constructing semi-analytic models of galaxy formation and, more generally, for building mock catalogues that emulate galaxy surveys. We present an algorithm for constructing halo merger trees from abacussummit, the largest suite of cosmological N-body simulations performed to date consisting of nearly 60 trillion particles, and which has been designed to meet the Cosmological Simulation Requirements of the Dark Energy Spectroscopic Instrument (DESI) survey. Our method tracks the cores of haloes to determine associations between objects across multiple time slices, yielding lists of halo progenitors and descendants for the several tens of billions of haloes identified across the entire suite. We present an application of these merger trees as a means to enhance the fidelity of abacussummit halo catalogues by flagging and ‘merging’ haloes deemed to exhibit non-monotonic past merger histories. We show that this cleaning technique identifies portions of the halo population that have been deblended due to choices made by the halo finder, but which could have feasibly been part of larger aggregate systems. We demonstrate that by cleaning halo catalogues in this post-processing step, we remove potentially unphysical features in the default halo catalogues, leaving behind a more robust halo population that can be used to create highly accurate mock galaxy realizations from abacussummit.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Artificial Neural Network-based State Estimation for Low Observable, Unbalanced Microgrids for Microgrid Building Blocks

The microgrid building blocks (MBB) were proposed as microgrid components with combined sub-components with power conversion, communication, and microgrid control capability, or a subset of such sub-components. This work addresses the microgrid controller, present in an MBB, which requires accurate state estimation to perform its tasks, including for monitoring, power flow (dispatch), fault detection, etc. In this paper, an artificial neural network (ANN)-based framework for state estimation is proposed for an MBB, especially for unbalanced and low observable microgrids. To overcome the challenge of low observability in unbalanced systems, a concept of extended adjacent matrix is introduced to reduce the required number of measurements for state estimation. Addressing the challenges, a feed forward neural network (FNN) is utilized to enhance estimation accuracy and reliability with the reduced number of measurements. The proposed state estimation is validated through extensive simulations on a microgrid, which was achieved from the modified IEEE 34-bus distribution test feeder with multiple distributed energy resources (DERs) and demonstrated superior performance in estimation accuracy and low observability.

Choi, Jongchan↗

NASA NTRSDate not supplied

NASA’s Moon-to-Mars Planetary Autonomous Construction Technology Project: Overview and Status

NASA plans to land the first woman and next man on the Moon by 2025 through the initial Artemis missions. NASA and its international partners plan to establish a sustainable long-term presence on the lunar surface and build up infrastructure in the subsequent Artemis missions. The Lunar Surface Innovation Initiative (LSII), within NASA’s Space Technology Mission Directorate, aims to spur the creation of novel technologies needed for lunar surface exploration and accelerate the technology readiness of key systems and components. The primary thrust areas of LSII include sustainable power; dust mitigation; in-situ resource utilization; surface excavation, construction, and outfitting; and extreme access/extreme environments. The Moon-to-Mars Planetary Autonomous Construction Technology (MMPACT) projectwas initiated to address the lunar surface construction thrust area of LSII. The goal of the MMPACT project is to develop, deliver, and demonstrate on-demand capabilities to protect astronauts and create infrastructure on the lunar surface via construction of landing pads, habitats, shelters, roadways, berms and blast shields using lunar regolith-based materials. The MMPACT project is leveraging technology derived from NASA’s 3D Printed Mars Habitat Challenge along with contributions from other Government agencies, and multiple partners within industry and academia. The MMPACT project is comprised of three interrelated elements, construction hardware and process development; feedstock materials development; and microwave structure construction capabilities. These elements are working together to address the multiple challenges of infrastructure construction on the surface of the Moon including increased autonomy of operations, hardware operation and manufacturing under lunar environmental conditions, long-duration operation of mechanisms and parts, scale of construction activities, and material and construction requirements and standards. This presentation will summarize the status of development activities in each of the three elements, including testing of the various candidate materials, preliminary design concepts for future lunar infrastructure elements, and the vision for future technology demonstrations on the lunar surface. These demonstrations, targeting the mid-to-late 2020’s, are expected to enable landing pad construction and habitat construction resulting in commercial capabilities early in the next decade.

lunar infrastructure↗

NASA NTRS2008

Generating Vegetation Leaf Area Index Earth System Data Record from Multiple Sensors: Implementation, Analysis and Validation - Part 2

The evaluation of a new global monthly leaf area index (LAI) data set for the period July 1981 to December 2006 derived from AVHRR Normalized Difference Vegetation Index (NDVI) data is described. The physically based algorithm is detailed in the first of the two part series. Here, the implementation, production and evaluation of the data set are described. The data set is evaluated both by direct comparisons to ground data and indirectly through inter-comparisons with similar data sets. This indirect validation showed satisfactory agreement with existing LAI products, importantly MODIS, at a range of spatial scales, and significant correlations with key climate variables in areas where temperature and precipitation limit plant growth. The data set successfully reproduced well-documented spatio-temporal trends and inter-annual variations in vegetation activity in the northern latitudes and semi-arid tropics. Comparison with plot scale field measurements over homogeneous vegetation patches indicated a 7% underestimation when all major vegetation types are taken into account. The error in mean values obtained from distributions of AVHRR LAI and high-resolution field LAI maps for different biomes is within 0.5 LAI for six out of the ten selected sites. These validation exercises though limited by the amount of field data, and thus less than comprehensive, indicated satisfactory agreement between the LAI product and field measurements. Overall, the intercomparison with short-term LAI data sets, evaluation of long term trends with known variations in climate variables, and validation with field measurements together build confidence in the utility of this new 26 year LAI record for long term vegetation monitoring and modeling studies.

Ganguly, Sangram↗

DOE OSTI2025

Final Design for Additional Thermal/Epithermal eXperiments (TEX) with Sodium Chloride Absorbers to Provide Validation Benchmarks for TerraPower

The first set of Thermal/Epithermal eXperiments (TEX) with chlorine absorbers (TEX-Cl) were executed in Q4FY24 and are in the process of being benchmarked for the ICSBEP. TEX-Cl builds upon the TEX-HEU baseline cases that were published in the 2022 International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. TEX-HEU, like TEX-Pu, was designed to be modular to allow for the incorporation of various absorbers and reflectors to test nuclear data and application case needs. For example, TEX-HEU with hafnium (TEX-Hf) utilizes hafnium plates as both absorbers and reflectors, depending on the tested configuration. A second set of chlorine experiments, dubbed More TEX-Cl, are laid out in this report to meet the needs of TerraPower for chlorine validation for their Molten Chloride Fast Reactor (MCFR) systems. TerraPower’s Molten Chloride Reactor Experiment (MCRE) and MCFR are fast molten salt reactors that utilize sodium chloride (NaCl) salt eutectics as the fuel and coolant. The MCRE eutectic is a mixture of NaCl and uranium trichloride (UCl 3 ). An abundant need for chlorine absorption validation has been expressed by multiple members of the community, including Y-12 (whose needs were addressed with the first set of experiments), LANL (whose needs were addressed with the Chlorine Worth Study (CWS)), TerraPower, institute de radioprotection et de sûreté nucléaire (IRSN), Savannah River Nuclear Solutions (SNRS), and others. Of the members who have expressed interest in this validation, most are interested in the fast neutron energy region, where the 35 Cl(n,p) reaction is most prominent. New 35 Cl(n,p) differential cross section measurements performed by LANL at LANCSE show substantial changes to the cross sections (Figure 1) and may be validated through these experiments as some configurations are optimally sensitive to this cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRSDate not supplied

NASA’s Moon-to-Mars Planetary Autonomous Construction Technology Project: Overview and Status

NASA plans to land the first woman and next man on the Moon by 2025 through the initial Artemis missions. NASA and its international partners plan to establish a sustainable long-term presence on the lunar surface and build up infrastructure in the subsequent Artemis missions. The Lunar Surface Innovation Initiative (LSII), within NASA’s Space Technology Mission Directorate, aims to spur the creation of novel technologies needed for lunar surface exploration and accelerate the technology readiness of key systems and components. The primary thrust areas of LSII include sustainable power; dust mitigation; in-situ resource utilization; surface excavation, construction, and outfitting; and extreme access/extreme environments. The Moon-to-Mars Planetary Autonomous Construction Technology (MMPACT) project was initiated to address the lunar surface construction thrust area of LSII. The goal of the MMPACT project is to develop, deliver, and demonstrate on-demand capabilities to protect astronauts and create infrastructure on the lunar surface via construction of landing pads, habitats, shelters, roadways, berms and blast shields using lunar regolith-based materials. The MMPACT project is leveraging technology derived from NASA’s 3D Printed Mars Habitat Challenge along with contributions from other Government agencies, and multiple partners within industry and academia. The MMPACT project is comprised of three interrelated elements, construction hardware and process development; feedstock materials development; and microwave structure construction capabilities. These elements are working together to address the multiple challenges of infrastructure construction on the surface of the Moon including increased autonomy of operations, hardware operation and manufacturing under lunar environmental conditions, long-duration operation of mechanisms and parts, scale of construction activities, and material and construction requirements and standards. This presentation will summarize the status of development activities in each of the three elements, including testing of the various candidate materials, preliminary design concepts for future lunar infrastructure elements, and the vision for future technology demonstrations on the lunar surface. These demonstrations, targeting the mid-to-late 2020’s, are expected to enable landing pad construction and habitat construction resulting in commercial capabilities early in the next decade.

Additive construction, regolith processing, lunar ↗

DOE OSTI2023

Integration of Ag-CBRAM crossbars and Mott ReLU neurons for efficient implementation of deep neural networks in hardware

In-memory computing with emerging non-volatile memory devices (eNVMs) has shown promising results in accelerating matrix-vector multiplications. However, activation function calculations are still being implemented with general processors or large and complex neuron peripheral circuits. Here, we present the integration of Ag-based conductive bridge random access memory (Ag-CBRAM) crossbar arrays with Mott rectified linear unit (ReLU) activation neurons for scalable, energy and area-efficient hardware (HW) implementation of deep neural networks. We develop Ag-CBRAM devices that can achieve a high ON/OFF ratio and multi-level programmability. Compact and energy-efficient Mott ReLU neuron devices implementing ReLU activation function are directly connected to the columns of Ag-CBRAM crossbars to compute the output from the weighted sum current. We implement convolution filters and activations for VGG-16 using our integrated HW and demonstrate the successful generation of feature maps for CIFAR-10 images in HW. Our approach paves a new way toward building a highly compact and energy-efficient eNVMs-based in-memory computing system.

Mott insulators↗

DOE OSTI2026

Molecular To Mesoscale Targeting of Oxoanions with Multi-Tasking Hosts

Achieving a better understanding of anion interactions both in solution and crystalline state was the overarching goal of this project. Anions are everywhere throughout Nature and play important roles in biological and environmental processes. They can be beneficial or deleterious or both in different situations and concentrations. For either reason it is important to have molecules that can bind anions for key needs that benefit society. However, recognition of specific anions is challenging due to the diffuse nature of their negative charge(s) as well as their various shapes and sizes. Understanding the basic properties of anions and how they interact with other molecules and ions in surrounding environments is key to selective recognition. In this project multi-tasking molecules for selective binding of targeted anions were designed to achieve cooperativity and synergism in one rather than multiple host molecules, including (1) cation:anion pair hosts for anions with charges of -2 or greater; (2) pH and redox activated hosts for on-off binding and release; and (3) multiple anion capture in extended host networks. Our design strategy was to combine the use of simple inexpensive building blocks and high yield synthetic pathways to provide economically feasible scale-up for applications. Oxoanions representing multiple shapes and charges were chosen based on having the potential for significant impact on DOE separations needs. Amide/amine-based macrocycles and urea/amine-based chelates and macrocycles with multiple hydrogen bonding sites provided the basic anion-binding frameworks. Successful multi-tasking outcomes were forthcoming in all three tasks. In Task 1, successful ion pair binding for anions with multiple charges was achieved. Furthermore, the ion pair molecules were capable of extended interactions through supramolecular intertwining, like fishing nets for capturing pools of fish (also fitting with Task 3). In Task 2, molecules were synthesized possessing on-off switches. These included a pH sensitive sensor for on-off binding of anions in general, as well as an electrochemical sensor selective for sulfate capture. Three new classes of extended anion host networks capable of binding multiple ions was a major outcome of Task 3. These systems included: anion sensitive, fluorescent organogels; channel-forming macrocycles for studying anion-water including larger macrocyclic cluster sandwiches; and, the offshoot of Task 1, fishing net ion-pair networks for higher valent anions. These strategies can be expanded in the future to other ions and molecules for a better understanding of intermolecular and interionic interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2012

Overview of US AID-World Bank-NASA Collaboration to Address Water Management Issues in the MENA Region

The World Bank, USAID and NASA have recently established a joint project to study multiple issues pertaining to water related applications in the Middle East North Africa (MENA) region. The main concentration of the project is on utilization of remote sensing data and hydrological models to address crop irrigation and mapping, flood mapping and forecasting, evapotranspiration and drought problems prevalent in this large geographic area. Additional emphases are placed on understanding the climate impact on these areas as well. Per IPCC 2007 report, by the end of this century MENA region is projected to experience an increase of 3 C to 5 C rise in mean temperatures and a 20% decline in precipitation. This poses a serious problem for this geographic zone especially when majority of the hydrological consumption is for the agriculture sector and the remaining amount is for domestic consumption. The remote sensing data from space is one of the best ways to study such complex issues and further feed into the decision support systems. NASA's fleet of Earth Observing satellites offer a great vantage point from space to look at the globe and provide vital signs necessary to maintain healthy and sustainable ecosystem. These observations generate multiple products such as soil moisture, global precipitation, aerosols, cloud cover, normalized difference vegetation index, land cover/use, ocean altimetry, ocean salinity, sea surface winds, sea surface temperature, ozone and atmospheric gases, ice and snow measurements, and many more. All of the data products, models and research results are distributed-via the Internet freely through out the world. This project will utilize several NASA models such as global Land Data Assimilation System (LDAS) to generate hydrological states and fluxes in near real time. These LDAS products will then be further compared with other NASA satellite observations (MODIS, VIIRS, TRMM, etc.) and other discrete models to compare and optimize evapotranspiration, soil moisture and crop irrigation, droUght assessment and water balance. The floods being a critical disaster in many of the MENA countries, NASA's global flood mapping and modeling framework (CREST) will be customized for country specific needs and delivered to the remote sensing organizations for their future use. Finally, capacity building is a critical part of this project and NASA will assist in this effort as well.

Habib, Shahid↗