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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 1,099 records · Page 61

Fragment-based drug nanoaggregation reveals drivers of self-assembly

Drug nanoaggregates are particles that can deleteriously cause false positive results during drug screening efforts, but alternatively, they may be used to improve pharmacokinetics when developed for drug delivery purposes. The structural features of molecules that drive nanoaggregate formation remain elusive, however, and the prediction of intracellular aggregation and rational design of nanoaggregate-based carriers are still challenging. We investigate nanoaggregate self-assembly mechanisms using small molecule fragments to identify the critical molecular forces that contribute to self-assembly. We find that aromatic groups and hydrogen bond acceptors/donors are essential for nanoaggregate formation, suggesting that both π-π stacking and hydrogen bonding are drivers of nanoaggregation. We apply structure-assembly-relationship analysis to the drug sorafenib and discover that nanoaggregate formation can be predicted entirely using drug fragment substructures. We also find that drug nanoaggregates are stabilized in an amorphous core-shell structure. These findings demonstrate that rational design can address intracellular aggregation and pharmacologic/delivery challenges in conventional and fragment-based drug development processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Core-edge integrated predictive studies of ST40 and NSTX plasmas with the scrape-off layer box model

The ability to model the interplay between the core and edge of tokamak plasmas is crucial to designing both the plasma operating scenario of a fusion pilot plant and the design of the tokamak itself. Scrape-off-layer (SOL) models that are tailored to integrated scenario modeling need to have fast turn-around time and minimal computational burden to enable wide parameter-space coverage for design scoping. The SOL 0-D Box model is a reduced SOL model based on global power and particle balance that captures the essential physics of SOL transport with little computational cost. The usage of the 0-D Box model in core-edge coupled simulations has been demonstrated in both interpretive and predictive modes on a variety of devices. This paper presents a sensitivity study of the 0-D Box model to the input SOL heat-flux width for an ST40 plasma. This study demonstrates that accurate prediction of this width is crucial to predicting global performance parameters of a plasma scenario, such as energy confinement time and flux consumption. We also present an extension of the Box model to 1-D to allow for parallel variation of plasma parameters along the magnetic field lines. The 1-D Box model is then compared with SOLPS-ITER simulations of an NSTX plasma. Advantages and limitations of the Box model are discussed, and future directions are outlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Elastic wave suppression through additively manufactured petal lattice metamaterials

Lattice-core sandwich structure metamaterials are lightweight alternatives to monolithic materials that can present better mechanical, thermal, and energy dampening performance. Manufacturing lattice metamaterials to follow curved surfaces can pose a challenge, as the lattices rely on their geometric orientation to the substrate for their mechanical properties. This work rationally designed a lattice structure where the surface is broken up into “petals” connected to the underlying lattice, which localizes the petals’ impact response. This design opens a pathway for implementation of lattice-core sandwich structures onto complex surface geometries. These petal structures were evaluated for their energy absorption efficiency experimentally by utilizing pressure waves generated with nanosecond lasers and computationally via finite element modeling. The lattice structures exhibited a two-orders-of-magnitude decrease in transmitted pressure compared to their constituent steel at equivalent mass. Furthermore, localizing energy absorption into petal structures provided a 44% reduction in peak load compared to a continuous “single-petal” design.

Sarracino, Alex↗

Theorem Proving in Intel Hardware Design

For the past decade, a framework combining model checking (symbolic trajectory evaluation) and higher-order logic theorem proving has been in production use at Intel. Our tools and methodology have been used to formally verify execution cluster functionality (including floating-point operations) for a number of Intel products, including the Pentium(Registered TradeMark)4 and Core(TradeMark)i7 processors. Hardware verification in 2009 is much more challenging than it was in 1999 - today s CPU chip designs contain many processor cores and significant firmware content. This talk will attempt to distill the lessons learned over the past ten years, discuss how they apply to today s problems, outline some future directions.

O'Leary, John↗

Experimental and Analytical Characterization of Fluted-Core Sandwich Composite Structures

As composite materials continue to gain wider acceptance for aerospace primary structures, experimental characterization and analysis methods must evolve, especially if new or underutilized composite structural concepts are to be successfully implemented. One such potentially underutilized concept is the fluted-core sandwich composite, which consists of facesheets separated by angled web members, and has a number of potential advantages over traditional-core (honeycomb, foam, etc.) sandwich composites. However, fluted-core sandwich composites also exhibit a behaviors not seen with traditional-core sandwich composites. For example, stable local buckling that can lead to material failure can occur in the facesheets between webs or in the webs themselves. Additionally, in the direction perpendicular to the webs, the effective transverse-shear stiffness is largely determined by the bending stiffnesses of the facesheets and the webs and is generally much lower than in the direction parallel to the webs. These local buckling and transverse-shear behaviors can have a large influence on material failure and global buckling, respectively. Thus, it is important to accurately characterize and model these behaviors. In this report, a series of experiments designed to elicit some of these fluted-core sandwich composite structural responses is discussed and the results are compared with results from a previously developed finite element analysis approach; qualitative and quantitative agreement between the experiment and analysis is shown.

Marc R. Schultz↗

The design, testing and analysis of aeroelastically tailored transonic flutter model wings

An investigation of both the static aeroelastic and flutter characteristics of an aft swept wing, aeroelastically tailored to washout in one design and to washin in another, has been performed using two one-fourth-scale cantilever models representing the two designs. The models have been designed using an MSC/NASTRAN finite element model to preserve the full-scale airplane washout and washin characteristics. Test results show that the effect of the skin-to-core adhesive on model stiffness must be considered in the design cycle. Flutter analyses correlate fairly well with test results. Consideration is also given to F-16 metal and washout wing flutter speeds and mass ratio effects.

Murphy, A. C.↗

Development of a new seal for use on large openings of pressurized spacecraft

The goal of this project was to design, build, and test an example of the seal invented by the author for use on Space Station Freedom and patented in 1991. The seal features a metallic spring core and replaceable elastomeric sealing elements. The metallic spring is designed to retain the sealing force of the elastomeric element against both sides of face seal gland for any specified amount of waviness or separation of the glands. A seal able to tolerate at least 1.3 mm (0.05 in) of flange distortion or separation and a test fixture of this seal which allowed direct comparison testing of O-rings were built. These designs were tested to compare leakage at different amounts of flange deflection. Results of the testing show the development seal exceeded its requirement to seal 1.3 mm of flange separation by 1 mm. This compared with the O-ring leakage, increasing dramatically at 0.5 mm of separation. The development seal also leaked at a lower rate than the O-ring seals in all tests.

Weddendorf, B.↗

Synergistic Development, Test, and Qualification Approaches for the Ares I and V Launch Vehicles

The U.S. National Aeronautics and Space Administration is designing and developing the Ares I and Ares V launch vehicles for access to the International Space Station (ISS) and human exploration of the Moon. The Ares I consists of a first stage reusable five-segment solid rocket booster, a upper stage using a J-2X engine derived from heritage experience (Saturn and Space Shuttle External Tank programs), and the Orion crew exploration vehicle (CEV). The Ares V is designed to minimize the development and overall life-cycle costs by leveraging off of the Ares I design. The Ares V consists of two boosters, a core stage, an earth departure stage (EDS), and a shroud. The core stage and EDS use LH2/LO2 propellants, metallic propellant tanks, and composite dry structures. The core stage has six RS-68B upgraded Delta IV engines while the EDS uses a J-2X engine for second stage ascent and trans-lunar injection (TLI) burn. System and propulsion tests and qualification approaches for Ares V elements are being considered as follow-on extensions of the Ares I development program. Following Ares I IOC, testing will be conducted to verify the J-2X engine's orbital restart and TLI burn capability. The Ares I upper stage operation will be demonstrated through integrated stage development and acceptance testing. The EDS will undergo similar development and acceptance testing with additional testing to verify aspects of cryogenic propellant management, operation of sub-systems in a space simulation environment, and orbital re-start of the main propulsion system. RS-68B certification testing will be conducted along with integrated core stage development and acceptance testing. Structural testing of the Ares V EDS and core stage propellant tanks will be conducted similar to the Ares I upper stage. The structural qualification testing may be accomplished with separate propellant tank test articles. Structural development and qualification testing of the dry structure will be pursued as part of the design and development process. Especially critical is the development test program for the composite structures. The Ares V payload shroud will undergo acoustic, vibration, structural qualification, and deployment testing in a space simulation environment. Similar to Ares I, requirements for full-scale structural dynamic testing are being studied. Both Ares I and Ares V include validation flight testing as part of the qualification programs.

Cockrell, Charles E.↗

Structural Analysis of Test Flight Vehicles for Application of Multifunctional Energy Storage System

Under the NASA Aeronautics Research Mission Directorate (ARMD) Convergent Aeronautical Solutions (CAS) project, NASA Glenn Research Center has been leading Multifunctional Structures for High Energy Lightweight Load-bearing Storage (M-SHELLS) research efforts. The technology of integrating load-carrying structures with electrical energy storage capacity has the potential to reduce the overall weight of future electric aircraft. The proposed project goals were to develop M-SHELLS in the form of honeycomb coupons and subcomponents, integrate them into the structure, and conduct low-risk flight-tests onboard a remotely piloted small aircraft. Experimental M-SHELLS energy-storing coupons were fabricated and tested in the laboratory for their electrical and mechanical properties. In this report, finite element model development and structural analyses of two small test aircraft candidates are presented. The finite element analysis of the initial two-spar wing is described for strain, deflection, and weight estimation. After a test aircraft Tempest was acquired, a load-deflection test of the wing was conducted. A finite element model of the Tempest was then developed based on the test aircraft dimensions and construction detail. The component weight analyses from the finite element model and test measurements were correlated. Structural analysis results with multifunctional energy storage panels in the fuselage of the test vehicle are presented. Although the flight test was cancelled because of programmatic reasons and time constraints, the structural analysis results indicate that the mid-fuselage floor composite panel could provide structural integrity with minimal weight penalty while supplying electrical energy. To explore potential future applications of the multifunctional structure, analyses of the NASA X-57 Maxwell electric aircraft and a NASA N+3 Technology Conventional Configuration (N3CC) fuselage are presented. Secondary aluminum structures in the fuselage sub-floor and cargo area were partially replaced with reinforced five-layer composite panels with M-SHELLS honeycomb core. The N3CC fuselage weight reduction associated with each design without risking structural integrity are described. The structural analysis and weight estimation with the application of composite M-SHELLS panels to the N3CC fuselage indicate a 3.2% reduction in the fuselage structural weight, prior to accounting for the additional weight of core material required to complete the energy storage functionality.

Mukhopadhyay, Vivek↗

Structural Analysis of Test Flight Vehicles with Multifunctional Energy Storage

Under the NASA Aeronautics Research Mission Directorate (ARMD) Convergent Aeronautical Solutions (CAS) project, NASA Glenn Research Center has been leading Multifunctional Structures for High Energy Lightweight Load-bearing Storage (M-SHELLS) research efforts. The technology of integrating load-carrying structures with electrical energy storage capacity has the potential to reduce the overall weight of future electric aircraft. The proposed project goals were to develop M-SHELLS in the form of honeycomb coupons and subcomponents, integrate them into the structure, and conduct low-risk flight tests onboard a remotely piloted small aircraft. Experimental M-SHELLS energy-storing coupons were fabricated and tested in the laboratory for their electrical and mechanical properties. In this paper, finite element model development and structural analyses of two small test aircraft candidates are presented. The finite element analysis of the initial two-spar wing is described for strain, deflection, and weight estimation. After a test aircraft Tempest was acquired, a load- deflection test of the wing was conducted. A finite element model of the Tempest was then developed based on the test aircraft dimensions and construction detail. The component weight analysis from the finite element model and test measurements were correlated. Structural analysis results with multifunctional energy storage panels in the fuselage of the test vehicle are presented. Although the flight test was cancelled because of programmatic reasons and time constraints, the structural analysis results indicate that the mid-fuselage floor composite panel could provide structural integrity with minimal weight penalty while supplying electrical energy. To explore potential future applications of the multifunctional structure, analyses of the NASA X-57 Maxwell electric aircraft and a NASA N+3 Technology Conventional Configuration (N3CC) fuselage are presented. Secondary aluminum structure in the fuselage sub-floor and cargo area were partially replaced with reinforced five-layer composite panels with M-SHELLS honeycomb core. The N3CC fuselage weight reduction associated with each design without risking structural integrity are described. The structural analysis and weight estimation with the application of composite M-SHELLS panels to the N3CC fuselage indicate a 3.2% reduction in the fuselage structural weight, prior to accounting for the additional weight of core material required to complete the energy storage functionality.

Mukhopadhyay, Vivek↗

Ampaire ARPA-e Electric Flight Testbed

A hybrid-electric aircraft flying testbed was developed in this program with the intent to serve as a dedicated, enduring testbed to test and evaluate ARPA-e CIRCUITS Program and other electrified aviation technologies in relevant flight environments. This testbed enabled rapid development cycles of novel and innovative technologies in the electrified aviation space, maturing them from a research lab environment to flying in an aircraft. By providing research groups with the means to test their transformative technologies in a real-world, aircraft environment, the path to validating the safety and reliability of their technologies for future commercial opportunities was greatly accelerated. Three core technologies were integrated and tested: an inverter/motor drive built by the University of Arkansas, a solid-state circuit breaker (iBreaker) built by the Illinois Institute of Technology, and a Flying Capacitor Multi-level (FCML) DC/DC converter built by the University of California, Berkeley. In each of these cases, the requirements established for safety of flight resulted in a holistic approach to the designs, evoking a deeper understanding of the potential failure modes and mitigations necessary to build a robust and flightworthy system. Further, the integration into a hybrid-electric aircraft de-risked the potential electrical and mechanical issues that cannot easily be experienced or replicated in a lab environment. The experiments were also required to undergo representative temperature, shock, and vibration testing as the FAA prescribes for this category of aircraft, facilitating familiarity with the relevant design and test guidelines necessary to commercialize the technologies. This testbed unlocks the massive potential of core power electronics technologies necessary for a safe, robust, and efficient electric aviation future. With quick iterative design, test, and flight cycles, these core technologies are on a quicker path to technology readiness level maturity and commercialization, enabling a more sustainable future for the aviation industry.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Synthesis of Correct Digital Controller Models from Specifications by Model Transformation (21-0320)

The design of high consequence controllers (in weapons systems, autonomy, etc.) that do what they are supposed to do is a significant challenge. Testing simply does not come close to meeting the requirements for assurance. Today circuit designers at Sandia (and elsewhere) typically capture the core behavior of their components using state models in tools such as STATEFLOW. They then check that their models meet certain requirements (e.g. “The system bus must not deadlock” or “both traffic lights at an intersection must not be green at the same time”) using tools called model checkers. If the model checker returns “yes” then the property is guaranteed to be satisfied by the model. However, there are several drawbacks to this industry practice: (1) there is a lot of detail to get right, this is particularly challenging when there are multiple components requiring complex coordination (2) any errors returned by the model checker have to be traced back through the design and fixed, necessitating rework, (3) there are severe scalability problems with this approach, particularly when dealing with concurrency. All this places high demands on the designers who now face not only an accelerated schedule but also controllers of increasing complexity. This report describes a new and fundamentally different approach to the construction of safety-critical digital controllers. Instead of directly constructing a complete model and then trying to verify it, the designer can start with an initial abstract (think “sketch”) model plus the requirements, from which a correct concrete model is automatically synthesized. There is no need for post-hoc verification of required functional properties. Having tool to carry this out will significantly impact the nation’s ability to ensure the safety of high-consequence digital systems. The approach has been implemented in a prototype tool, along with a suite of examples, including ones that reflect actual problems faced by designers. Our approach operates on a variant of Statecharts developed at Sandia called Qspecs. Statecharts are a widely used formalism for developing concurrent reactive systems, supporting scalability through allowing state models containing composite states, which are the serial or parallel composition of substates which can themselves contain statecharts. Statecharts enable an incremental style of development, in which states are progressively refined to incorporate greater detail in an incremental model of software development. Our approach formulates a set of constraints from the structure of the models and the requirements and propagates these constraints to a fixpoint. The solution to the constraints is an inductive invariant along with guards on the transitions. We also show how our approach extends to implementation refinement, decomposition, composition, and elaboration. We currently handle safety requirements written in LTL (Linear Temporal Logic)

42 ENGINEERING↗

CF6 Jet Engine Performance Improvement Program: High Pressure Turbine Aerodynamic Performance Improvement

The improved single shank high pressure turbine design was evaluated in component tests consisting of performance, heat transfer and mechanical tests, and in core engine tests. The instrumented core engine test verified the thermal, mechanical, and aeromechanical characteristics of the improved turbine design. An endurance test subjected the improved single shank turbine to 1000 simulated flight cycles, the equivalent of approximately 3000 hours of typical airline service. Initial back-to-back engine tests demonstrated an improvement in cruise sfc of 1.3% and a reduction in exhaust gas temperature of 10 C. An additional improvement of 0.3% in cruise sfc and 6 C in EGT is projected for long service engines.

Fasching, W. A.↗

SPF/DB titanium concepts for structural efficiency foi HC

Illustrations for a presentation on superplastic forming/diffusion bonding titanium design concepts are presented. Sandwich skin panels with hat section, semicircular corrugation, sine wave, and truss cores are shown. The fabrication of wing panels is illustrated, and applications to the design of advanced variable sweep bombers summarized.

Wilson, V. E.↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Computational study of the effect of core–skin structure on the mechanical properties of carbon nanofibers

The effect of the core–skin structure on the mechanical properties of carbon nanofibers is investigated in large-scale molecular dynamics simulations of tensile deformation of carbon nanofibers with the core–skin and homogeneous structures. Contrary to an established notion of the deleterious effect of the skin layer on the strength of carbon fibers, the presence of a high-quality skin layer is found to increase both the Young’s modulus and tensile strength of the nanofiber. A detailed analysis of the fracture process indicates that the nanofiber strengthening is related to the ability of skin layer to suppress crack nucleation at the core–skin interface. Furthermore, the computational predictions suggest that the design of new approaches to carbon fiber manufacturing and processing leading to the generation of a high-quality skin layer while avoiding the introduction of structural defects at the core–skin interface may yield a significant enhancement of the mechanical properties of carbon fibers.

36 MATERIALS SCIENCE↗

Coupling of CTF and TRANSFORM using the Functional Mockup Interface

An in-memory coupling between the sub-channel thermal hydraulics code COBRA-TF (CTF), which is included in the Virtual Environment for Reactor Applications (VERA), and the systems code Transient Simulation Framework of Reconfigurable Models (TRANSFORM) was developed in this work. Data exchange is accomplished by using the Functional Mock-Up Interface (FMI), an open standard for coupling dynamic systems models together. The FMI-based coupling necessitated the development of a novel FORTRAN wrapper for communicating with Functional Mock-Up Units. This wrapper will facilitate future FMI-based code couplings with other FORTRAN-based programs. CTF-TRANSFORM is exercised on a simplified Molten Salt Reactor Experiment (MSRE) model in steady-state and transient configurations. The coupled CTF-TRANSFORM model is shown to predict core temperature deltas similar to those available in historical MSRE operational data and is shown to be robust to fast power transients.The coupling paves the way to performing sensitivity and design studies impossible with VERA/CTF alone, in which secondary and tertiary loop operating conditions and design parameters may be perturbed and their impact on the core operating conditions studied.

97 MATHEMATICS AND COMPUTING↗

IER-539 CED-1: Preliminary Design of a New Horizontal Split Table

This report presents the preliminary design (CED-1) of IER-539, focused on a new Horizontal Split Table (HST) critical assembly machine. The Department of Energy (DOE) National Nuclear Criticality Safety Program (NCSP) funds critical experiment R&D and its Mission and Vision document identifies a long-standing technical gap of a general purpose HST. HSTs have historically been used for experiments that are impractical to assemble on a vertical lift machine (VLM), usually due to their large physical size or weight. While many HSTs were historically employed in the US (including at LLNL), there are currently no surviving HSTs in the US. While there are two critical experiments facilities remaining in the US, the National Critical Experiments Research Center (NCERC) operated by LANL and the Critical Experiments Facility (CX) operated by SNL, these facilities are not equipped with a general purpose HST. There are a number of experiment designs that require an HST, including needs for Defense Programs and Nuclear Energy. Lack of an HST constraints the national ability to perform large and heavy experiments. Large footprints are needed to successfully create mockup experiments for advanced reactors (mock-up cold critical reactor cores, which is a urgent need for new reactor designs using novel materials and longer cycle lengths), to create solution experiments in lattices, or to test nuclear data of heavy metals. A new HST is a vital piece of criticality experiment infrastructure that would allow for the conduct of integral critical experiments to address needs in the nuclear criticality safety, nuclear data, and other DOE stakeholder communities.

42 ENGINEERING↗