Final Phase I Technical Report - Deep Learning Enabled FAIR Data Management for Center for Functional Nanomaterials
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Metal ion transport systems have been studied extensively, but the specificity of a given transporter is often unclear from amino acid sequence data alone. In this study, predicted Cu 2+ and Zn 2+ resistance systems in Pseudomonas stutzeri strain RCH2 are compared with those experimentally implicated in Cu 2+ and Zn 2+ resistance, as determined by using a DNA-barcoded transposon mutant library. Mutant fitness data obtained under denitrifying conditions are combined with regulon predictions to yield a much more comprehensive picture of Cu 2+ and Zn 2+ resistance in strain RCH2. The results not only considerably expand what is known about well-established metal ion exporters (CzcCBA, CzcD, and CusCBA) and their accessory proteins (CzcI and CusF), they also reveal that isolates with mutations in some predicted Cu 2+ resistance systems do not show decreased fitness relative to the wild type when exposed to Cu 2+ . In addition, new genes are identified that have no known connection to Zn 2+ ( corB , corC , Psest_3226, Psest_3322, and Psest_0618) or Cu 2+ resistance (Mrp antiporter subunit gene, Psest_2850, and Psest_0584) but are crucial for resistance to these metal cations. Growth of individual deletion mutants lacking corB , corC , Psest_3226, or Psest_3322 confirmed the observed Zn-dependent phenotypes. Notably, to our knowledge, this is the first time a bacterial homolog of TMEM165, a human gene responsible for a congenital glycosylation disorder, has been deleted and the resulting strain characterized. Finally, the fitness values indicate Cu 2+ - and Zn 2+ -based inhibition of nitrite reductase and interference with molybdenum cofactor biosynthesis for nitrate reductase. These results extend the current understanding of Cu 2+ and Zn 2+ efflux and resistance and their effects on denitrifying metabolism. Here in this study, genome-wide mutant fitness data in P. stutzeri RCH2 combined with regulon predictions identify several proteins of unknown function that are involved in resisting zinc and copper toxicity. For zinc, these include a member of the UPF0016 protein family that was previously implicated in Ca 2+ /H + antiport and a human congenital glycosylation disorder, CorB and CorC, which were previously linked to Mg 2+ transport, and Psest_3322 and Psest_0618, two proteins with no characterized homologs. Experiments using mutants lacking Psest_3226, Psest_3322, corB , corC , or czcI verified their proposed functions, which will enable future studies of these little-characterized zinc resistance determinants. Likewise, Psest_2850, annotated as an ion antiporter subunit, and the conserved hypothetical protein Psest_0584 are implicated in copper resistance. Physiological connections between previous studies and phenotypes presented here are discussed. Functional and mechanistic understanding of transport proteins improves the understanding of systems in which members of the same protein family, including those in humans, can have different functions.
Technology Candidates for Air-to-Air and Air-to-Ground Data Exchange is a two-year research effort to visualize the U. S. aviation industry at a point 50 years in the future, and to define potential communication solutions to meet those future data exchange needs. The research team, led by XCELAR, was tasked with identifying future National Airspace System (NAS) scenarios, determining requirements and functions (including gaps), investigating technical and business issues for air, ground, & air-to-ground interactions, and reporting on the results. The project was conducted under technical direction from NASA and in collaboration with XCELAR's partner, National Institute of Aerospace, and NASA technical representatives. Parallel efforts were initiated to define the information exchange functional needs of the future NAS, and specific communication link technologies to potentially serve those needs. Those efforts converged with the mapping of each identified future NAS function to potential enabling communication solutions; those solutions were then compared with, and ranked relative to, each other on a technical basis in a structured analysis process. The technical solutions emerging from that process were then assessed from a business case perspective to determine their viability from a real-world adoption and deployment standpoint. The results of that analysis produced a proposed set of future solutions and most promising candidate technologies. Gap analyses were conducted at two points in the process, the first examining technical factors, and the second as part of the business case analysis. In each case, no gaps or unmet needs were identified in applying the solutions evaluated to the requirements identified. The future communication solutions identified in the research comprise both specific link technologies and two enabling technologies that apply to most or all specific links. As a result, the research resulted in a new analysis approach, viewing the underlying architecture of ground-air and air-air communications as a whole, rather than as simple "link to function" paired solutions. For the business case analysis, a number of "reference architectures" were developed for both the future technologies and the current systems, based on three typical configurations of current aircraft. Current and future costs were assigned, and various comparisons made between the current and future architectures. In general, it was assumed that if a future architecture offers lower cost than the current typical architecture, while delivering equivalent or better performance, it is likely that the future solution will gain industry acceptance. Conversely, future architectures presenting higher costs than their current counterparts must present a compelling benefit case in other areas or risk a lack of industry acceptance. The business case analysis consistently indicated lower costs for the proposed future architectures, and in most cases, significantly so. The proposed future solutions were found to offer significantly greater functionality, flexibility, and growth potential over time, at lower cost, than current systems. This was true for overall, fleet-wide equipage for domestic and oceanic air carriers, as well as for single, General Aviation (GA) aircraft. The overall research results indicate that all identified requirements can be met by the proposed solutions with significant capacity for future growth. Results also illustrate that the majority of the future communication needs can be met using currently allocated aviation RF spectrum, if used in more effective ways than it is today. A combination of such optimized aviation-specific links and commercial communication systems meets all identified needs for the 50-year future and beyond, with the caveat that a new, overall function will be needed to manage all information exchange, individual links, security, cost, and other factors. This function was labeled "Delivery Manager" (DM) within this research. DM employs a distributed client/server architecture, for both airborne and ground communications architectures. Final research results included identifying the most promising candidate technologies for the future system, conclusions and recommendations, and identifying areas where further research should be considered.
The patent-pending Glove-Enabled Computer Operations (GECO) design leverages extravehicular activity (EVA) glove design features as platforms for instrumentation and tactile feedback, enabling the gloves to function as human-computer interface devices. Flexible sensors in each finger enable control inputs that can be mapped to any number of functions (e.g., a mouse click, a keyboard strike, or a button press). Tracking of hand motion is interpreted alternatively as movement of a mouse (change in cursor position on a graphical user interface) or a change in hand position on a virtual keyboard. Programmable vibro-tactile actuators aligned with each finger enrich the interface by creating the haptic sensations associated with control inputs, such as recoil of a button press.
As one of the near-term goals of the President's Vision for Space Exploration, establishment of a multi-person lunar base will require high-endurance power systems which are independent of the sun, and can operate without replenishment for several years. These requirements may be obtained using nuclear power systems specifically designed for use on the lunar surface. While it is envisioned that such a system will generally be supervised by humans, some of the evolutions required maybe semi or fully autonomous. The entire base complement for near-term missions may be less than 10 individuals, most or all of which may not be qualified nuclear plant operators and may be off-base for extended periods thus, the need for power system autonomous operation. Startup, shutdown, and load following operations will require the application of advanced control and health management strategies with an emphasis on robust, supervisory, coordinated control of, for example, the nuclear heat source, energy conversion plant (e.g., Brayton Energy Conversion units), and power management system. Autonomous operation implies that, in addition to being capable of automatic response to disturbance input or load changes, the system is also capable of assessing the status of the integrated plant, determining the risk associated with the possible actions, and making a decision as to the action that optimizes system performance while minimizing risk to the mission. Adapting the control to deviations from design conditions and degradation due to component failures will be essential to ensure base inhabitant safety and mission success. Intelligent decisions will have to be made to choose the right set of sensors to provide the data needed to do condition monitoring and fault detection and isolation because of liftoff weight and space limitations, it will not be possible to have an extensive set of instruments as used for earth-based systems. Advanced instrumentation and control technologies will be needed to enable this critical functionality of autonomous operation. It will be imperative to consider instrumentation and control requirements in parallel to system configuration development so as to identify control-related, as well as integrated system-related, problem areas early to avoid potentially expensive work-arounds . This paper presents an overview of the enabling technologies necessary for the development of reliable, autonomous lunar base nuclear power systems with an emphasis on system architectures and off-the-shelf algorithms rather than hardware. Autonomy needs are presented in the context of a hypothetical lunar base nuclear power system. The scenarios and applications presented are hypothetical in nature, based on information from open-literature sources, and only intended to provoke thought and provide motivation for the use of autonomous, intelligent control and diagnostics.
The National Aeronautics and Space Administration’s Exploration Systems Development Mission Directorate has been developing architecture concepts for human missions to Mars in alignment with the agency’s Moon to Mars blueprint objectives. The focus of the Architecture Development Office has been to decompose the blueprint objectives into the characteristics and needs for both lunar and Mars missions and develop functional needs to enable an integrated end-to-end mission architecture. One of the key components of a human Mars mission is the in-space transportation system that delivers crew and cargo to Mars vicinity and return crew safely back to Earth. The Mars Architecture Team has been evaluating four in-space transportation options to satisfy this functional need: 1) Hybrid Nuclear Electric/ Chemical Propulsion, 2) Nuclear Thermal Propulsion, 3) Hybrid Solar Electric/ Chemical Propulsion, and 4) All-Chemical propulsion. To answer the question “which transportation option is best?” decision makers will need to understand the performance characteristics—and limitations—for each architecture in the context of their preferred metric. Each option could be considered “better” than the others, depending on whether the primary selection criteria is fast, cheap, maximum cross-government applicability, maximizes commercial capabilities, and/or any other desired metrics. The Mars Architecture Team has completed considerable analysis on the Hybrid Nuclear Electric/Chemical Propulsion concept over the past three years. The Space Nuclear Propulsion program has also conducted significant work on the Nuclear Thermal Propulsion concept. The Hybrid Solar Electric/Chemical Propulsion concept, derived from technology planned for the Gateway program, was originally configurated for minimum vehicle stack mass (and, hence, minimum Earth-launched mass/cost), leveraging a highly efficient propulsion system on a minimum energy Conjunction Class trajectory. Historically, All-Chemical concepts were considered impractical due to the enormous propellant mass required, even for minimum energy Conjunction Class/long stay mission opportunities. However, considering the emerging commercial heavy-lift capabilities, the concept must be reevaluated across a range of concepts that leverage reusable launch vehicle capabilities to reduce the cost of launching large quantities of transportation elements needed for missions of various duration. This paper aims to provide an overview of the in-space transportation assessment work that is on-going within NASA.
The National Aeronautics and Space Administration’s Exploration Systems Development Mission Directorate has been developing architecture concepts for human missions to Mars in alignment with the agency’s Moon to Mars blueprint objectives. The focus of the Architecture Development Office has been to decompose the blueprint objectives into the characteristics and needs for both lunar and Mars missions and develop functional needs to enable an integrated end-to-end mission architecture. One of the key components of a human Mars mission is the in-space transportation system that delivers crew and cargo to Mars vicinity and return crew safely back to Earth. The Mars Architecture Team has been evaluating four in-space transportation options to satisfy this functional need: 1) Hybrid Nuclear Electric/ Chemical Propulsion, 2) Nuclear Thermal Propulsion, 3) Hybrid Solar Electric/ Chemical Propulsion, and 4) All-Chemical propulsion. To answer the question “which transportation option is best?” decision makers will need to understand the performance characteristics—and limitations—for each architecture in the context of their preferred metric. Each option could be considered “better” than the others, depending on whether the primary selection criteria is fast, cheap, maximum cross-government applicability, maximizes commercial capabilities, and/or any other desired metrics. The Mars Architecture Team has completed considerable analysis on the Hybrid Nuclear Electric/Chemical Propulsion concept over the past three years. The Space Nuclear Propulsion program has also conducted significant work on the Nuclear Thermal Propulsion concept. The Hybrid Solar Electric/Chemical Propulsion concept, derived from technology planned for the Gateway program, was originally configurated for minimum vehicle stack mass (and, hence, minimum Earth-launched mass/cost), leveraging a highly efficient propulsion system on a minimum energy Conjunction Class trajectory. Historically, All-Chemical concepts were considered impractical due to the enormous propellant mass required, even for minimum energy Conjunction Class/long stay mission opportunities. However, considering the emerging commercial heavy-lift capabilities, the concept must be reevaluated across a range of concepts that leverage reusable launch vehicle capabilities to reduce the cost of launching large quantities of transportation elements needed for missions of various duration. This paper aims to provide an overview of the in-space transportation assessment work that is on-going within NASA.
We have developed some scripts and tools that compliment an existing open-source product (Podman, https://podman.io/). This enables podman to function as a high-performance container solution. This capability is similar to Shifter and Singularity (both developed at LBNL). The advantage of leveraging Podman is it has greater support in the broader community outside of HPC and has capabilities missing from many of the HPC-only solutions. The specific enhancements we wish to share our how to enable Podman to scale to very large HPC jobs and our integrations we have done to utilize high-performance interconnects and GPUs.
We propose a procedure for the numerical-analytic solution of one-dimensional problems of thermoelasticity for bodies of simple geometry based on the representation of temperature dependences of the physicomechanical characteristics of materials in the form of piecewise constant functions of temperature and the application of the Kirchhoff substitution and the methods of generalized functions. This procedure enables us to study one-dimensional nonstationary thermal and quasistatic stress-strain states under the combined thermal and force action with controlled reliability.
This paper presents a co-simulation based approach to implement and validate advanced battery storage control modes in OpenDSS that replicate behavior of a utility scale vanadium red-ox flow battery (VRFB). Inverter-interfaced utiliy-scale battery storage systems (BSS) have modes of operation to facilitate multiple grid-support functions. In order to enable accurate understanding of the impacts from grid-support functions modes of operation it is required to develop validated models that replicates behavior of the actual control system. This paper presents the pseudo code for the implemented control schemes including peak shaving and capacity firming control modes. Additionally, this paper also provides insight on convergence sensitivity of the presented algorithms to related parameters. The results obtained from simulation studies will be compared against field operated utility-scale BSS measurements to verify the implemented algorithms.
This ETOP project aimed to re-conceive how we engineer complex biological systems by linking pathway design, prospecting, and validation into an integrated framework. Specifically, our vision seeks to advance and interweave high-throughput cell-based systems and rapid cell-free technologies in a way suitable for automation and microdroplet manipulation in a DOE JGI user facility setting. The key technology to be investigated toward this vision is a cell-free platform for combinatorial assembly of pathways by mixing-and-matching crude cell lysates derived from a suite of flux-enhanced background strains, each enriched with pathway enzymes. Through this work, we have established rewired E. coli and S. cerevisiae cells suitable to generated rewired lysates. We have demonstrated that lysates derived from rewired cells can generate higher fluxes of products and can enable a more robust discovery method going from gene to function annotations. Finally, we demonstrate that these rewired lysates can be stored for up to a year and still retain function. Collectively, these technologies enable a more rapid screening approach for enzyme and pathway variants.
In many applications, interfaces govern the performance of membranes. Structure, chemistry, electrostatics, and other properties of interfaces can dominate the selectivity, flux, fouling resistance, and other critical aspects of membrane functionality. Control over membrane interfacial properties, therefore, is a powerful means of tailoring performance. In this minireview, we discuss the application of atomic layer deposition (ALD) and related techniques in the design of novel membrane interfaces. We discuss recent literature in which ALD is used to 1) modify the surface chemistry and interfacial properties of membranes, 2) tailor the pore sizes and separation characteristics of membranes, and 3) enable novel advanced functional membranes.
A compact and flexible controller has been developed to provide MIL-STD- 1553B Remote Terminal (RT) communications and supporting and related functions with minimal demand on the resources of the system in which the controller is to be installed. (MIL-STD-1553B is a military standard that encompasses a method of communication and electrical-interface requirements for digital electronic subsystems connected to a data bus. MIL-STD-1553B is commonly used in defense and space applications.) Many other MIL-STD-1553B RT controllers are complicated, and to enable them to function, it is necessary to provide software and to use such ancillary separate hardware devices as microprocessors and dual-port memories. The present controller functions without need for software and any ancillary hardware. In addition, it contains a flexible system interface and extensive support hardware while including on-chip error-checking and diagnostic support circuitry. This controller is implemented within part of a modern field-programmable gate array.
Multiphase flows are ubiquitous in many industrial processes. The inherent coupling of different phases poses many unique challenges in predicting and effectively controlling these processes. Hence, computational modeling and simulation offers a viable approach to overcome these challenges. Here in this study, we present recent development efforts for enhancing the physical modeling capabilities of an open-source computational modeling tool for real life industrial multiphase processes by enabling particle-size polydispersity and demonstrating with an associated validation study. The proposed implementation was performed in MFIX open-source framework due to its unique feature of tightly integrated computational fluid dynamics and discrete element method solvers for simulating coupled continuum fluid and granular flows. We have implemented the polydispersity feature in a minimally invasive way and provided means to allow easy specification of an arbitrary particle size distribution function, which also enables the user to easily handle an arbitrary number of solid phases, each possessing a distinct arbitrary particle-size distribution. To establish the credibility of improvements, we have carried out a preliminary verification and validation (V&V) study for the polydispersity feature by employing a hopper bin discharge problem, which is frequently encountered in industrial applications. Specifically, two types of micro-glass beads with distinct size distributions are used to fill the hopper in two possible packing arrangements, i.e., well-mixed and layered configurations, with varying mass (particle number) ratios. The experimentally obtained discharge dynamics (e.g., normalized discharge mass fraction for one of the phases versus the overall discharge mass fraction) for different systems is found to be in excellent agreement with the corresponding simulation results.
In this study, complex oxides such as pyrochlores have a myriad of potential technological applications, including as fast ion conductors and radiation-tolerant nuclear waste forms. They are also of interest for their catalytic and spin ice properties. Many of these functional properties are enabled by the atomic structure of the cation sublattices. Pyrochlores (A2B2O7) contain two different cations (A and B), typically a 3+ rare earth and a 4+ transition metal such as Hf, Zr, or Ti. The large variety of chemistries that can form pyrochlores leads to a rich space in which to search for exotic new materials. Furthermore, how cations order or disorder on their respective sublattices for a given chemical composition influences the functional properties of the oxide. For example, oxygen ionic conductivity is directly correlated with the level of cation disorder — the swapping of A and B cations 1 . Further, the resistance of these materials against amorphization has also been connected with the ability of the cations to disorder 2, 3 . These correlations between cation structure and functionality have spurred great interest in the structure of the cation sublattice under irradiation, with significant focus on the disordering mechanisms and disordered structure. Previous studies have found that, upon irradiation, pyrochlores often undergo an order-to-disorder transformation, in which the resulting structure is, from a diffraction point of view, indistinguishable from fluorite (AO2) (ref. 3). Shamblin et al. now reveal that the structure of disordered pyrochlore is more complicated than previously thought 4 .
Measurements of the total amount of stars locked up in galaxies as a function of host halo mass contain key clues about the efficiency of processes that regulate star formation. We derive the total stellar mass fraction f{sub *} (excluding stars in the intracluster light) as a function of halo mass M{sub 500c} from z = 0.2 to z = 1 using two complementary methods. First, we derive f{sub *} using a statistical Halo Occupation Distribution model jointly constrained by data from lensing, clustering, and the stellar mass function. This method enables us to probe f{sub *} over a much wider halo mass range than with group or cluster catalogs. Second, we derive f{sub *} at group scales using a COSMOS X-ray group catalog and show that the two methods agree to within 30%. We quantify the systematic uncertainty on f{sub *} using abundance matching methods and show that the statistical uncertainty on f{sub *} ({approx}10%) is dwarfed by systematic uncertainties associated with stellar mass measurements ({approx}45% excluding initial mass function, IMF, uncertainties). Assuming a Chabrier IMF, we find 0.012 {<=} f{sub *} {<=} 0.025 at M{sub 500c} = 10{sup 13} M{sub Sun} and 0.0057 {<=} f{sub *} {<=} 0.015 at M{sub 500c} = 10{sup 14} M{sub Sun }. These values are significantly lower than previously published estimates. We investigate the cause of this difference and find that previous work has overestimated f{sub *} owing to a combination of inaccurate stellar mass estimators and/or because they have assumed that all galaxies in groups are early-type galaxies with a constant mass-to-light ratio. Contrary to previous claims, our results suggest that the mean value of f{sub *} is always significantly lower than f{sub gas} for halos above 10{sup 13} M{sub Sun }. Combining our results with recently published gas mass fractions, we find a shortfall in f{sub *} + f{sub gas} at R{sub 500c} compared to the cosmic mean. This shortfall varies with halo mass and becomes larger toward lower halo masses.
Zymomonas mobilis is a promising biofuel producer due to its high alcohol tolerance and streamlined metabolism that efficiently converts sugar to ethanol. Z. mobilis genes are poorly characterized relative to those of model bacteria, hampering our ability to rationally engineer the genome with pathways capable of converting sugars from plant hydrolysates into valuable biofuels and bioproducts. Many of the unique properties that make Z. mobilis an attractive biofuel producer are controlled by essential genes; however, these genes cannot be manipulated using traditional genetic approaches (e.g., deletion or transposon insertion) because they are required for viability. CRISPR interference (CRISPRi) is a programmable gene knockdown system that can precisely control the timing and extent of gene repression, thus enabling targeting of essential genes. Here, we establish a stable, high-efficacy CRISPRi system in Z. mobilis that is capable of perturbing all genes—including essential genes. We show that Z. mobilis CRISPRi causes either strong knockdowns (>100-fold) using single guide RNA (sgRNA) spacers that perfectly match target genes or partial knockdowns using spacers with mismatches. We demonstrate the efficacy of Z. mobilis CRISPRi by targeting essential genes that are universally conserved in bacteria, are key to the efficient metabolism of Z. mobilis, or underlie alcohol tolerance. Our Z. mobilis CRISPRi system will enable comprehensive gene function discovery, opening a path to rational design of biofuel production strains with improved yields.
Sustaining sound structures in Si-based anodes is extremely challenging because of the high volumetric expansion that occurs upon cycling. To maintain high capacities over cycles, new designs rely on engineering-specific hierarchical geometries and/or optimized composite compositions such that at least one of the multiple elements serves as buffer and/or electron conductive pathways in the electrodes. In this paper, we report an innovative design in which alternating layers of periodic atomic structures involving multiple elements form a new anode material for lithium-ion batteries. In this work, a superlattice-structured amorphous film made using Si, Mo, and Cu is fabricated by a simple and scalable magnetron sputtering process for the first time. This continuous and repetitive superlattice formation along the film thickness provides a homogeneous stress-strain distribution. The Mo-Cu layer in the superlattice acts as an inactive-conductive layer and as a backbone to handle the volume expansion of active Si upon cycling. This nano-functional superlattice approach enables harnessing the high energy density of Si while maintaining its structural stability. As a result, the electrode exhibits high specific capacity and capacity retention even at high cycling rates. The possible use of the film in a full cell is also evaluated by cycling it vs. the LiMn 1.5 Ni 0.5 O 4 cathode. The full cell maintains a stable capacity of about 900 mAh g anode -1 over 150 cycles, at ~600 mA g -1 rate. The remarkable performance of this nano-functional superlattice film is found to be promising as anodes for applications that require high energy, long calendar life, and excellent abuse tolerance such as electric vehicle batteries.