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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 1,027 records · Page 57

Snapshots of Ce 70 Toroid Assembly from Solids and Solution

Crystallization at the solid–liquid interface is difficult to spectroscopically observe and therefore challenging to understand and ultimately control at the molecular level. The Ce70-torroid formulated [Ce IV 70 (OH) 36 (O) 64 (SO 4 ) 60 (H 2 O) 10 ] 4– , part of a larger emerging family of M IV 70 -materials (M = Zr, U, Ce), presents such an opportunity. We elucidated assembly mechanisms by the X-ray scattering (small-angle scattering and total scattering) of solutions and solids as well as crystallizing and identifying fragments of Ce 70 by single-crystal X-ray diffraction. Fragments show evidence for templated growth (Ce 5 , [Ce 5 (O) 3 (SO 4 ) 12 ] 10- ) and modular assembly from hexamer (Ce 6 ) building units (Ce 13 , [Ce 13 (OH) 6 (O) 12 (SO 4 ) 14 (H 2 O) 14 ] 6– and Ce 62 , [Ce 62 (OH) 30 (O) 58 (SO 4 ) 58 ] 14- ). Ce 62 , an almost complete ring, precipitates instantaneously in the presence of ammonium cations as two torqued arcs that interlock by hydrogen boding through NH 4 + , a structural motif not observed before in inorganic systems. The room temperature rapid assemblies of both Ce 70 and Ce 62 , respectively, by the addition of Li + and NH 4 + , along with ion-exchange and redox behavior, invite exploitation of this emerging material family in environmental and energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Python and HPC for High Energy Physics Data Analyses

High level abstractions in Python that can utilize computing hardware well seem to be an attractive option for writing data reduction and analysis tasks. In this paper, we explore the features available in Python which are useful and efficient for end user analysis in High Energy Physics (HEP). A typical vertical slice of an HEP data analysis is somewhat fragmented: the state of the reduction/analysis process must be saved at certain stages to allow for selective reprocessing of only parts of a generally time-consuming workflow. Also, algorithms tend to to be modular because of the heterogeneous nature of most detectors and the need to analyze different parts of the detector separately before combining the information. This fragmentation causes difficulties for interactive data analysis, and as data sets increase in size and complexity (O10 TiB for a “small” neutrino experiment to the O10 PiB currently held by the CMS experiment at the LHC), data analysis methods traditional to the field must evolve to make optimum use of emerging HPC technologies and platforms. Mainstream big data tools, while suggesting a direction in terms of what can be done if an entire data set can be available across a system and analysed with high-level programming abstractions, are not designed with either scientific computing generally, or modern HPC platform features in particular, such as data caching levels, in mind. Our example HPC use case is a search for a new elementary particle which might explain the phenomenon known as “Dark Matter”. Here, using data from the CMS detector, we will use HDF5 as our input data format, and MPI with Python to implement our use case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A solar photovoltaic power system for use in Antarctica

A solar photovoltaic power system was designed and built at the NASA Lewis Research Center as part of the NASA/NSF Antarctic Space Analog Program. The system was installed at a remote field camp at Lake Hoare in the Dry Valleys and provided a six-person field team with the power to run personal computers and printers, lab equipment, lightning, and a small microwave oven. The system consists of three silicon photovoltaic sub-arrays delivering 1.5 kW peak power, three lead-acid gel battery modules supplying 2.4 kWh, and electrical distribution system which delivers 120 Vac and 12 Vdc to the user. The system was modularized for each of deployment and operation. Previously the camp has been powered by diesel generators, which have proven to be both noisy and polluting. The NSF, in an effort to reduce their dependence on diesel fuel from both and environmental and cost standpoint is interested in the use of alternate forms of energy, such as solar power. Such a power system will also provide NASA with important data on system level deployment and operation in a remote location by a minimally trained crew, as well as validate initial integration concepts.

Kohout, Lisa L.↗

Stochastic Effects in Computational Biology of Space Radiation Cancer Risk

Estimating risk from space radiation poses important questions on the radiobiology of protons and heavy ions. We are considering systems biology models to study radiation induced repair foci (RIRF) at low doses, in which less than one-track on average transverses the cell, and the subsequent DNA damage processing and signal transduction events. Computational approaches for describing protein regulatory networks coupled to DNA and oxidative damage sites include systems of differential equations, stochastic equations, and Monte-Carlo simulations. We review recent developments in the mathematical description of protein regulatory networks and possible approaches to radiation effects simulation. These include robustness, which states that regulatory networks maintain their functions against external and internal perturbations due to compensating properties of redundancy and molecular feedback controls, and modularity, which leads to general theorems for considering molecules that interact through a regulatory mechanism without exchange of matter leading to a block diagonal reduction of the connecting pathways. Identifying rate-limiting steps, robustness, and modularity in pathways perturbed by radiation damage are shown to be valid techniques for reducing large molecular systems to realistic computer simulations. Other techniques studied are the use of steady-state analysis, and the introduction of composite molecules or rate-constants to represent small collections of reactants. Applications of these techniques to describe spatial and temporal distributions of RIRF and cell populations following low dose irradiation are described.

Cucinotta, Francis A.↗

Development and Testing of Robotic Inspection Tools for the High-Level Waste Double Shell Tanks at Hanford - 17292

Florida International University (FIU) has been developing inspection tools that are capable of accessing the tank floors of double shell tanks through air supply lines and air refractory channels. This effort has led to the development of a pneumatic pipe crawler and a miniature rover. The miniature rover is a remote controlled vehicle with four wheels directly driven by independent micro DC motors.. The rover will have to navigate through channels as small as 3.81 cm by 3.81 cm, and includes turns with angles up to 90 deg.. To avoid debris, the device travels upside down, magnetically attached to the bottom of the primary tank. The pneumatic pipe crawler is a snake type robot with a modular design. The design is an evolution of previous peristaltic crawlers developed at FIU, and uses pneumatic actuators to emulate the contractions of the peristaltic movements. The inspection path consists of approximately 30 m of pipe (7.62 and 10.16 cm in diameter), reducers and several elbows. In this paper, engineering scale testing of the both systems is presented. Slight modifications have also been made to the designs, based on the testing, and are also explained. The engineering scale testing of the crawler includes approximately 30 m of piping that has the same lengths, dimensions and fittings as the air supply line of AY-102. The primary difference is that that actual line has a number of sections that are vertical. Testing of the miniature rover has included a test-bed manufactured with brick pavers, providing more realistic coefficients of friction between the tether and the channel. Efforts to reduce the load induced when the tether is in contact with a corner in the refractory channel will also be provided. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Perspective on Multi-Source Energy Harvesting Technology Using Piezoelectric and Thermoelectric Materials

Energy harvesting using various locally available energy sources such as vibration energy, heat, sound, or magnetic field have become attractive topics for supplying power to modular electronic devices making them run independently in extreme environments. In this paper, we will be discussing the perspectives on thermoelectric (TE) and piezoelectric materials and devices, and then the concept of multi-source energy harvester using piezoelectric and thermoelectric devices and integration of them into a reliable and independent power source. TE materials having low thermal conductivity and high figure-of-merit ( zT ) are developed to convert even a small temperature gradient efficiently into electrical energy with the state-of-the-art conversion efficiency of ~15% and output power of ~56 W from single device. The piezoelectric device architecture is configured using high performance piezoelectric ceramics (Cu-Mn-PIN-PMN-PT). These ceramics exhibit high piezoelectric coefficient with high mechanical quality factor and low dielectric loss factor. Using these piezoelectric materials, power density as high a 2 mW/cm 2 is demonstrated in 1-1.5 g vibration environments. The piezoelectric device is attached on the surface of TE module to capture both the vibration and thermal energy sources to realize dual mode energy harvester. The multi-energy transfer strategy opens opportunities for a future generation of wireless and modular electronic devices. These devices would be useful in powering wearable electronic devices, micro sensor chargers, etc. in extreme environmental conditions using body heat/thermal sources and induced motion/vibrations.

Piezoelectric↗

Rapidly Deployable Acoustic Monitoring and Localization System Based on a Low-Cost Wave Buoy Platform

The primary objective of this project is to develop a cost-effective, fit-for-purpose environmental monitoring system, “NoiseSpotter®,” that characterizes, classifies, and provides accurate location information for anthropogenic and natural sounds in near real-time. NoiseSpotter was developed to support the evaluation of potential acoustic effects of marine energy (ME) projects. By utilizing a compact array of three acoustic particle motion sensors, NoiseSpotter triangulates individual bearings to provide sound source localization to within 5% accuracy, allowing the ability to discern ME device sounds relative to other confounding sounds in the environment, while providing location estimates to nearby marine mammals for environmental mitigation purposes. The ME industry needs proven solutions to meet environmental impact assessment needs. The NoiseSpotter® includes off-the-shelf, modular components that are easy to assemble and disassemble. Its acoustic particle motion sensors are commercially available and the data logger and real-time telemetry system is designed to be plug-and-play. The entire system is relatively compact and can be deployed from small vessels. NoiseSpotter’s near real-time capability enables operational monitoring of ME sounds, particularly during early stages of technology adoption to facilitate mitigation of potential noise effects. Widespread adoption of the technology for acoustic monitoring of ME devices requires that it be cost effective; hence the anticipated commercial cost of system hardware is $35,000. This project contributes to reducing barriers to ME testing through support of scientific research focused on reducing or mitigating environmental risks and lowering costs and complexity of environmental monitoring. This project has developed an acoustic monitoring system, NoiseSpotter® (U.S. Patent No. 11,156,734 and U.S. Registered Trademark No. 6,442,313), to detect and characterize baseline noise and sounds from ME operations and support geolocation of detected sounds. The intended outcome of the project is to mitigate concerns about the potential for ME device noise to alter marine mammal or fish behavior. NoiseSpotter® enables cost-effective, near real-time acoustic monitoring of an operational ME device relative to ambient environmental noise and provides a technical basis for ME developers seeking to navigate the permitting process in an efficient manner.

16 TIDAL AND WAVE POWER↗

Space station MSFC-DPD-235/DR no. CM-02 specification, space station project (modular)

The orbiting laboratory which can take many forms and can be configured to house a crew of up to 12 men is discussed. The initial study of the 33-foot-diameter Space Station, launched by the Saturn INT-21 and supporting a complement of 12 crewmen, has been completed and documented. A Modular Space Station comprised of smaller, shuttle-launched modules is described. These modules could ultimately be configured to provide for a crew of the same size as envisioned for the 33-foot-diameter Space Station-but buildup would be gradual, beginning with a small initial crew and progressing toward greater capability by adding modules and crewmen on a flexible schedule.

Smith, T. D.↗

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

TURBOMOLE is a collaborative, multi-national software development project aiming to provide highly efficient and stable computational tools for quantum chemical simulations of molecules, clusters, periodic systems, and solutions. The TURBOMOLE software suite is optimized for widely available, inexpensive, and resource-efficient hardware such as multi-core workstations and small computer clusters. TURBOMOLE specializes in electronic structure methods with outstanding accuracy–cost ratio, such as density functional theory including local hybrids and the random phase approximation (RPA), GW-Bethe–Salpeter methods, second-order Møller–Plesset theory, and explicitly correlated coupled-cluster methods. TURBOMOLE is based on Gaussian basis sets and has been pivotal for the development of many fast and low-scaling algorithms in the past three decades, such as integral-direct methods, fast multipole methods, the resolution-of-the-identity approximation, imaginary frequency integration, Laplace transform, and pair natural orbital methods. This review focuses on recent additions to TURBOMOLE’s functionality, including excited-state methods, RPA and Green’s function methods, relativistic approaches, high-order molecular properties, solvation effects, and periodic systems. A variety of illustrative applications along with accuracy and timing data are discussed. Moreover, available interfaces to users as well as other software are summarized. TURBOMOLE’s current licensing, distribution, and support model are discussed, and an overview of TURBOMOLE’s development workflow is provided. Challenges such as communication and outreach, software infrastructure, and funding are highlighted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Kinetic modeling of particle size distribution of soot in a premixed burner-stabilized stagnation ethylene flame

A detailed model of soot formation is proposed, which consists of a gas-phase kinetic model for the pyrolysis and oxidation of selected hydrocarbon fuels and a kinetic mechanism of soot nucleation and mass/size growth through coagulation and surface reactions. The gas-phase model (Ranzi et al., 2012) was expanded to include the chemistry of Polycyclic Aromatic Hydrocarbons (PAHs) up to four-to-five ring PAHs, with a modular and hierarchical approach. The discrete sectional approach was employed to solve the size evolution of the particle size distribution function (PSDF). Analogy and similarity rules were employed to describe heterogeneous reaction kinetics of soot surface reactions. A variable collision efficiency was assumed for the coalescence of small soot particles. Larger particles were assumed to undergo aggregation. The predicted PSDFs are found to be in reasonably good agreement with the experimental data for nascent soot measured in an atmospheric-pressure premixed ethylene–oxygen–argon flame in the burner-stabilized stagnation flame configuration. Sensitivity analyses of the PSDF, number density, and volume fraction were carried out with respect to the rate parameters of addition reactions of acetylene, PAHs, resonantly stabilized radical reactions, and coalescence and aggregation. The findings demonstrate that the reaction of PAHs and acetylene with soot surfaces and the kinetics of coalescence and aggregation exhibit dominant effects on the detailed and global soot properties for the flame studied, in agreement with conclusions of a large range of previous modeling studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of Experiment Kits for Processing Biological Samples In-Flight on SLS-2

The design of the hematology experiment kits for SLS-2 has resulted in a modular, flexible configuration which maximizes crew efficiency and minimizes error and confusion when dealing with over 1200 different components over the course of the mission. The kit layouts proved to be very easy to use and their packaging design provided for positive, secure containment of the many small components. The secondary Zero(Tm) box enclosure also provided an effective means for transport of the kits within the Spacelab and for grouping individual kits by flight day usage. The kits are readily adaptable to use on future flights by simply replacing the inner components as required and changing the labelling scheme to match new mission requirements.

Jaquez, R.↗

Mass Inferencing Model Creation and Deployment to the RASSOR Lunar Excavation Robot

The Regolith Advanced Surface Systems Operations Robot (RASSOR) Excavator is a teleoperated mobile robotic platform with a unique space regolith excavation capability. The Intelligent Capabilities Enhanced RASSOR research project developed functionality for inferencing regolith mass ingested during RASSOR operation, enhancing RASSOR’s ability to successfully complete ISRU missions. To teleoperate or run autonomously, it is crucial for the quantity of regolith mass ingested by RASSOR to be available as a system state for efficient operation. For example, during autonomous operation, RASSOR should navigate and move to a processing plant to offload the collected regolith when the drums are full; without knowledge of how much mass is in the drums, this type of high-level planning is not possible. Four distinct modeling approaches were employed in developing a mass inferencing approach that could work on RASSOR. All take in system states, such as arm/drum positions, velocities, currents, voltages, and robot pose, and output a mass prediction for each set of the robot’s bucket drums.1) A neural network model that takes a vector of normalized system states; 2) A model that uses the integrated power consumption of an arm-raise (normalized by velocity); 3) A model that uses average drum current over a variable length interval of the drum disengaged from the surface; and 4) A real-time estimation model that aggregates excavation drum current. The developed models run in real time, outputting predictions for the front and rear drums, timestamp of the last prediction, and total mass in RASSOR’s drums. Further testing is required to validate the arm-raise model (2), though initial tests indicate reasonable performance (<10% mean error) on the hardware. The linear fit of average drum-current model (3) had a front value of r^2=0.99 and a rear value of r^2=0.98 on the validation dataset. This model currently has the best performance on unseen data. The real time model (4) is still in development, though initial results on a small subset of the training data show that it has high accuracy in predicting the increase in mass during excavation. Though work remains to be done with deploying a high-fidelity model to the physical system that makes predictions with error below the desired threshold, the modular architecture for model development allows quick adjustment of parameters to increase model fidelity. This architecture can also be adapted to use lunar excavation data to create models that are reflective of RASSOR’s dynamics when operating on the lunar surface. The results are promising as it has been shown that models can be developed that accurately estimate excavated regolith mass.

rassor↗

Poly(dimethylsiloxane- b -methyl methacrylate): A Promising Candidate for Sub-10 nm Patterning

We report herein the modular synthesis and nanolithographic potential of poly(dimethylsiloxane-block-methyl methacrylate) (PDMS-b-PMMA) with self-assembled domains approaching sub-10 nm periods. A straightforward and modular coupling strategy, optimized for low molecular weight diblocks and using copper-catalyzed azide–alkyne “click” cycloaddition, was employed to obtain a library of PDMS-b-PMMA and poly(dimethylsiloxane-block-styrene) (PDMS-b-PS) diblock copolymers. Flory–Huggins interaction parameters, determined from small-angle X-ray scattering experiments, were high for PDMS-b-PMMA (χ ~ 0.2 at 150 °C), suggesting this diblock copolymer system has promise for sub-10 nm lithographic applications when compared to the corresponding PDMS-b-PS diblock copolymers (χ ~ 0.1 at 150 °C). Furthermore, performance evaluation in thin film self-assembly experiments allowed domain periods as small as 12.1 nm to be obtained, which is among the smallest highly ordered nanoscale patterns reported hitherto for thermally annealed materials.

36 MATERIALS SCIENCE↗

ClusterCAD: a computational platform for type I modular polyketide synthase design

Here, we present ClusterCAD, a web-based toolkit designed to leverage the collinear structure and deterministic logic of type I modular polyketide synthases (PKSs) for synthetic biology applications. The unique organization of these megasynthases, combined with the diversity of their catalytic domain building blocks, has fueled an interest in harnessing the biosynthetic potential of PKSs for the microbial production of both novel natural product analogs and industrially relevant small molecules. However, a limited theoretical understanding of the determinants of PKS fold and function poses a substantial barrier to the design of active variants, and identifying strategies to reliably construct functional PKS chimeras remains an active area of research. In this work, we formalize a paradigm for the design of PKS chimeras and introduce ClusterCAD as a computational platform to streamline and simplify the process of designing experiments to test strategies for engineering PKS variants. ClusterCAD provides chemical structures with stereochemistry for the intermediates generated by each PKS module, as well as sequence- and structure-based search tools that allow users to identify modules based either on amino acid sequence or on the chemical structure of the cognate polyketide intermediate. ClusterCAD can be accessed at https://clustercad.jbei.org and at http://clustercad.igb.uci.edu.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Advancing Pore–Space–Partitioned Metal–Organic Frameworks with Isoreticular Cluster Concept

Trigonal planar M 3 (O/OH) trimers are among the most important clusters in inorganic chemistry and are the foundational features of multiple high-impact MOF platforms. Here we introduce a concept called isoreticular cluster series and demonstrate that M 3 (O/OH), as the first member of a supertrimer series, can be combined with a higher hierarchical member (double-deck trimer here) to advance isoreticular chemistry. We report here an isoreticular series of pore-space-partitioned MOFs called M 3 M 6 pacs made from co-assembly between M 3 single-deck trimer and M 3x2 double-deck trimer. Important factors were identified on this multi-modular MOF platform to guide optimization of each module, which enables the phase selection of M 3 M 6 pacs by overcoming the formation of previously-always-observed same-cluster phases. The new pacs materials exhibit high surface area and high uptake capacity for CO 2 and small hydrocarbons, as well as selective adsorption properties relevant to separation of industrially important mixtures such as C 2 H 2 /CO 2 and C 2 H 2 /C 2 H 4 . Furthermore, new M 3 M 6 pacs materials show electrocatalytic properties with high activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The effect of concentrator field layout on the EE-1 small community solar power system

The point-focusing distributed receiver (PFDR) concept is employed by a number of solar thermal power systems currently under development. One type of PFDR system which shows particular promise incorporates distributed energy generation. According to this concept each parabolic dish collector is a self-contained power generation module, and a conventional electrical system is used to interconnect the modules. The concept is thus modular, and any number of power modules can be combined to achieve the required plant size. Given the benefits of mass production, it appears that this type of system can produce electricity at lower cost than is projected for conventional (fossil) power systems over the next decade. An employment of organic Rankine cycle heat engines is considered.

Pons, R. L.↗

A solar photovoltaic power system for use in Antarctica

A solar photovoltaic power system was designed and built at the NASA Lewis Research Center as part of the NASA/NSF Antarctic Space Analog Program. The system was installed at a remote field camp at Lake Hoare in the Dry Valleys, and provided a six-person field team with electrical power for personal computers and printers, lab equipment, lighting, and a small microwave oven. The system consists of three silicon photovoltaic sub-arrays delivering a total of 1.5 kWe peak power, three lead-acid gel battery modules supplying 2.4 kWh, and an electrical distribution system which delivers 120 Vac and 12 Vdc to the user. The system was modularized for ease of deployment and operation. Previously the camp has been powered by diesel generators, which have proven to be both noisy and polluting. The NSF, in an effort to reduce their dependence on diesel fuel from both an environmental and cost standpoint, is interested in the use of alternate forms of energy, such as solar power. Such a power system also will provide NASA with important data on system level deployment and operation in a remote location by a minimally trained crew, as well as validate initial integration concepts.

Kohout, Lisa L.↗

Geometry and Joint Systems for Lattice-Based Reconfigurable Space Structures

We describe analytical methods for the design of the discrete elements of ultralight lattice structures. This modular, building block strategy allows for relatively simple element manufacturing, as well as relatively simple robotic assembly of low mass density structures on orbit, with potential for disassembly and reassembly into highly varying and large structures. This method also results in a structure that is easily navigable by relatively small mobile robots. The geometry of the cell can allow for high packing efficiency to minimize wasted payload volume while maximizing structural performance and constructability. We describe the effect of geometry choices on the final system mechanical properties, manufacturability of the components, and automated robotic constructability of a final system. Geometry choices considered include building block complexity, symmetry of the unit cell, and effects of vertex, edge, and face connectivity of the unit cell. Mechanical properties considered include strength scaling, modulus scaling, and structural performance of the joint, including proof load, shear load, mass, and loading area; as well as validation and verification opportunities. Manufacturability metrics include cost and time, manufacturing method (COTS versus custom), and tolerances required. Automated constructability metrics include local effects of loads imparted to the structure by the robot and assembly complexity, encompassing the ability of the robot to clamp and number of placement motions needed for assembly.

Ochalek, Megan E.↗