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NASA NTRS2001

Slow Crack Growth and Fatigue Life Prediction of Ceramic Components Subjected to Variable Load History

Present capabilities of the NASA CARES/Life (Ceramic Analysis and Reliability Evaluation of Structures/Life) code include probabilistic life prediction of ceramic components subjected to fast fracture, slow crack growth (stress corrosion), and cyclic fatigue failure modes. Currently, this code has the capability to compute the time-dependent reliability of ceramic structures subjected to simple time-dependent loading. For example, in slow crack growth (SCG) type failure conditions CARES/Life can handle the cases of sustained and linearly increasing time-dependent loads, while for cyclic fatigue applications various types of repetitive constant amplitude loads can be accounted for. In real applications applied loads are rarely that simple, but rather vary with time in more complex ways such as, for example, engine start up, shut down, and dynamic and vibrational loads. In addition, when a given component is subjected to transient environmental and or thermal conditions, the material properties also vary with time. The objective of this paper is to demonstrate a methodology capable of predicting the time-dependent reliability of components subjected to transient thermomechanical loads that takes into account the change in material response with time. In this paper, the dominant delayed failure mechanism is assumed to be SCG. This capability has been added to the NASA CARES/Life (Ceramic Analysis and Reliability Evaluation of Structures/Life) code, which has also been modified to have the ability of interfacing with commercially available FEA codes executed for transient load histories. An example involving a ceramic exhaust valve subjected to combustion cycle loads is presented to demonstrate the viability of this methodology and the CARES/Life program.

Jadaan, Osama↗

NASA NTRS2002

Rudder/Fin Seals Investigated for the X-38 Re-Entry Vehicle

NASA is developing the X-38 vehicle that will demonstrate the technologies required for a potential crew return vehicle for the International Space Station. This vehicle would serve both as an ambulance for medical emergencies and as an evacuation vehicle for the space station. Control surfaces on the X-38 (body flaps and rudder/fin assemblies) require high temperature seals to limit hot gas ingestion and the transfer of heat to underlying low temperature structures. Working with the NASA Johnson Space Center, the Seals Team at the NASA Glenn Research Center completed a series of tests to further characterize baseline seal designs for the rudder/fin interfaces of the X-38. The structures of the rudder/fin assembly and its associated seals are shown in the the preceding illustration. Tests performed at Glenn indicated that exposure of the seals in a compressed state at simulated seal re-entry temperatures resulted in a large permanent set and loss of seal resiliency. This could be of concern because the seals are required to maintain contact with the sealing surfaces while the vehicle goes through the maximum re-entry heating cycle to prevent hot gases from leaking past the seals and damaging interior low-temperature structures. To simulate conditions in which the seals may become unloaded during use, such as when they take on a large permanent set, Glenn researchers performed room temperature flow and compression tests to determine seal flow rates, resiliency, and unit loads under minimal loads. Flow rates through an unloaded (i.e., 0-percent compression) double seal arrangement were twice those of a double seal compressed to the 20-percent design compression level. These flow rates are being used in thermal analyses to predict the effect of flow through the seals on over-all seal temperatures. Compression test results showed that seal unit loads and contact pressures were below the limits that Johnson had set as goals for the seals. In the rudder/fin seal location, the seals are in contact with shuttle thermal tiles and are moved across the tiles as the rudder is rotated during re-entry. Low seal unit loads and contact pressures are required to limit the loads on these tiles and minimize any damage that the seals could cause. A series of tests were performed on these seals in NASA Ames Research Center's arc jet facility. The arc jet facility approximates relevant thermal environments that a seal or other structure would be subjected to during extreme heating conditions such as those experienced during space vehicle re-entry. Eleven tests were completed, including one test in which no seal was installed in the gap to examine the flow of heat down into the gap. The seal was compressed between stationary insulation tiles and a movable elevon that was rotated during the test to deflect the arc jet exhaust into the seal gap. Peak seal temperatures as high as 2000 F were reached during the 5-min tests. Results of these tests indicate satisfactory performance of the seal for single-use (e.g., X-38) applications. The results of these tests were shared with the NASA Johnson Space Center and are being used to validate aerothermostructural analysis codes that predict seal temperatures under these conditions. The tests performed at Glenn have provided valuable information to Johnson about the performance of the seals that they are considering using in the rudder/fin location of the X-38 vehicle. Glenn and Johnson are currently defining what additional work needs to be done to develop the final rudder/fin seal design for the X-38 vehicle.

Dunlap, Patrick H., Jr.↗

DOE OSTI2024

Effect of Solvent Composition on Non-DLVO Forces and Oriented Attachment of Zinc Oxide Nanoparticles

Oriented attachment (OA) occurs when nanoparticles in solution align their crystallographic axes prior to colliding and subsequently fuse into single crystals. Traditional colloidal theories such as DLVO provide a framework for evaluating OA but fail to capture key particle interactions due to the atomistic details of both the crystal structure and the interfacial solution structure. Using zinc oxide as a model system, we investigated the effect of the solvent on short-ranged and long-ranged particle interactions and the resulting OA mechanism. In situ TEM imaging showed that ZnO nanocrystals in toluene undergo long-range attraction comparable to 1kT at separations of 10 nm and 3kT near particle contact. These observations were rationalized by considering non-DLVO interactions, namely dipole-dipole forces and torques between the polar ZnO nanocrystals. Langevin dynamics simulations showed stronger interactions in toluene compared to methanol solvents, consistent with the experimental results. Concurrently, we performed atomic force microscopy measurements using ZnO-coated probes for the short-ranged interaction. Our data provided valuable insights into another type of non-DLVO interaction, namely the repulsive solvation force. Specifically, the solvation force was stronger in water compared to ethanol and methanol, due to the stronger hydrogen bonding and denser packing of water molecules at the interface. In conclusion, our results highlight the importance of non-DLVO forces in a general framework for understanding and predicting particle aggregation and attachment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1994

Inducer analysis/pump model development

Current design of high performance turbopumps for rocket engines requires effective and robust analytical tools to provide design information in a productive manner. The main goal of this study was to develop a robust and effective computational fluid dynamics (CFD) pump model for general turbopump design and analysis applications. A finite difference Navier-Stokes flow solver, FDNS, which includes an extended k-epsilon turbulence model and appropriate moving zonal interface boundary conditions, was developed to analyze turbulent flows in turbomachinery devices. In the present study, three key components of the turbopump, the inducer, impeller, and diffuser, were investigated by the proposed pump model, and the numerical results were benchmarked by the experimental data provided by Rocketdyne. For the numerical calculation of inducer flows with tip clearance, the turbulence model and grid spacing are very important. Meanwhile, the development of the cross-stream secondary flow, generated by curved blade passage and the flow through tip leakage, has a strong effect on the inducer flow. Hence, the prediction of the inducer performance critically depends on whether the numerical scheme of the pump model can simulate the secondary flow pattern accurately or not. The impeller and diffuser, however, are dominated by pressure-driven flows such that the effects of turbulence model and grid spacing (except near leading and trailing edges of blades) are less sensitive. The present CFD pump model has been proved to be an efficient and robust analytical tool for pump design due to its very compact numerical structure (requiring small memory), fast turnaround computing time, and versatility for different geometries.

Cheng, Gary C.↗

NASA NTRS2010

J-2X Turbopump Cavitation Diagnostics

The J-2X is the upper stage engine currently being designed by Pratt & Whitney Rocketdyne (PWR) for the Ares I Crew Launch Vehicle (CLV). Propellant supply requirements for the J-2X are defined by the Ares Upper Stage to J-2X Interface Control Document (ICD). Supply conditions outside ICD defined start or run boxes can induce turbopump cavitation leading to interruption of J-2X propellant flow during hot fire operation. In severe cases, cavitation can lead to uncontained engine failure with the potential to cause a vehicle catastrophic event. Turbopump and engine system performance models supported by system design information and test data are required to predict existence, severity, and consequences of a cavitation event. A cavitation model for each of the J-2X fuel and oxidizer turbopumps was developed using data from pump water flow test facilities at Pratt & Whitney Rocketdyne (PWR) and Marshall Space Flight Center (MSFC) together with data from Powerpack 1A testing at Stennis Space Center (SSC) and from heritage systems. These component models were implemented within the PWR J-2X Real Time Model (RTM) to provide a foundation for predicting system level effects following turbopump cavitation. The RTM serves as a general failure simulation platform supporting estimation of J-2X redline system effectiveness. A study to compare cavitation induced conditions with component level structural limit thresholds throughout the engine was performed using the RTM. Results provided insight into system level turbopump cavitation effects and redline system effectiveness in preventing structural limit violations. A need to better understand structural limits and redline system failure mitigation potential in the event of fuel side cavitation was indicated. This paper examines study results, efforts to mature J-2X turbopump cavitation models and structural limits, and issues with engine redline detection of cavitation and the use of vehicle-side abort triggers to augment the engine redline system.

Santi, I. Michael↗

DOE OSTI2026

Rigor and Reproducibility in Electrocatalysis: Best Practices for Operando Studies

Operando measurements have rapidly expanded the scope of electrocatalysis by enabling direct observation of catalytic interfaces under working conditions and by linking structural, compositional, and spectroscopic observables to activity and selectivity. However, the growth of operando methods has outpaced the adoption of broadly shared experimental standards, creating persistent challenges in reproducibility, interpretation, and comparison across laboratories and platforms. This perspective synthesizes discussions from the 2025 National Science Foundation Workshop on Rigor and Reproducibility in Electrocatalysis and outlines a practical framework for the rigorous use of operando measurements in electrocatalysis. We highlight three recurring needs: careful implementation of complex methods to avoid overinterpretation; recognition that (subtle) differences in reactor architecture, hydrodynamics, and electrical boundary conditions can alter apparent kinetics and selectivity; and transparent reporting standards that enable meaningful cross-comparison without constraining measurement-specific cell innovation. Focusing on widely used techniques (including X-ray and vibrational spectroscopies, mass spectrometry, and electron microscopy), we discuss technique-specific pitfalls, cross-validation strategies, and recurring platform-agnostic considerations such as mass transport, current distribution, temporal-resolution mismatches, and catalyst evolution. This Perspective aims to strengthen the mechanistic inference and improve the reproducibility, comparability, and predictive value of operando electrocatalysis research.

X-ray absorption spectroscopy↗

DOE OSTI2024

Equilipy: a python package for calculating phase equilibria

The CALPHAD (CALculation of PHAse Diagram) approach (Nigel Saunders & Miodownik, 1998) provides predictions for thermodynamically stable phases in multicomponent-multiphase materials across a wide range of temperatures. Consequently, the CALPHAD calculations became an essential tool in materials and process design (Luo, 2015). Such design tasks frequently require navigating a high-dimensional space due to multiple components involved in the system. This increasing complexity demands high-throughput CALPHAD calculations, especially in the rapidly evolving field of alloy design. In response to the need, we developed Equilipy an open-source Python package designed for calculating phase equilibria of multicomponent-multiphase systems. Equilipy is specifically tailored for high-throughput CALPHAD calculations, offering parallel computations across multiple processors and nodes with the given NPT input conditions namely elemental compositions (N), pressure (P), and temperature (T). Equilipy utilizes the program structure and Gibbs energy functions from the Fortran-based program, Thermochimica (Piro et al., 2013), with incorporating a new Gibbs energy minimization algorithm. This algorithm, originally developed by Capitani and Brown in 1987 (Capitani & Brown, 1987), has been revised and implemented to enhance the stability and performance of calculations. The Fortran codes are precompiled and interfaced with Python via F2PY, ensuring high computation speed. Benchmark tests shown in Figure 1 demonstrate that Equilipy’s computation speed is comparable to those of established commercial software, TC-Python and PanPython. This result highlights its efficiency and potential applications in various scientific and industrial fields.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Convergent Manufacturing of Large-Scale Components for Nuclear Applications, via Additive Manufacturing and Powder Metallurgy Hot Isostatic Pressing

Powder metallurgy (PM)–hot isostatic pressing (PM-HIP) has long been recognized as a powerful route for producing fully dense, near net shape metallic components. By consolidating powders under high temperature and pressure, HIP provides isotropic properties, uniform microstructures, and scalability to complex geometries that are vital for sectors such as aerospace, energy, and nuclear power. Yet despite these advantages, the technology has remained constrained by costly trial and error canister fabrication, limitations of conventional forging, and incomplete knowledge about how the canister design influences final part properties. Additive manufacturing (AM), by contrast, thrives on design freedom and geometric flexibility but struggles with speed, scalability, and cost when applied to very large structures. The research presented in this report investigated how a convergent manufacturing approach, combining AM with PM-HIP, can merge the strengths of both technologies, leveraging AM’s flexibility for canister design and HIP’s consolidation capability to deliver reliable, large, and complex parts. The work progressed through three case studies that built on one another in scale and complexity. Small cylindrical canisters fabricated by conventional methods, laser powder bed fusion, and directed energy deposition were filled with stainless steel powders and subjected to HIP. The resulting parts demonstrated near-full density and mechanical properties on par with wrought stainless steel, showing for the first time that AM canisters can be a direct substitute for conventional ones without sacrificing quality. The next step involved a medium-scale, noncentrosymmetric T-valve, which is an enclosed, multibranch geometry that tested the limits of AM + PM-HIP integration. The T-valve achieved predictable shrinkage and uniform densification, confirming feasibility for enclosed designs. However, this study also revealed oxide inclusions and interfacial challenges at the AM + HIP boundary, underscoring the critical importance of controlling interface chemistry and employing robust, in situ strategies, such as melt pool monitoring and thermal monitoring, coupled with nondestructive evaluation techniques such as x-ray computed tomography. Finally, the effort culminated in fabricating a large-scale impeller weighing nearly 2000 lb and spanning 5 ft in diameter. Produced via multirobot wire arc AM and hot isostatic pressed to near-full density, the impeller validated industrial-scale feasibility. Predictive models closely matched experimental shrinkage, tensile properties were spatially uniform across the component, and the AM + PM-HIP interface proved mechanically sound despite the presence of oxide-decorated prior particle boundaries. This large-scale demonstration is a major milestone, showing that hybrid AM + PM‑HIP can reliably deliver components at reactor-relevant scales. Collectively, these studies charted a logical pathway: small-scale work built scientific confidence, medium-scale work highlighted opportunities and challenges, and large-scale work proved industrial impact. The overarching conclusion of this report is that AM + PM-HIP should not be seen as a replacement for forging but as a complementary pathway that provides the US with flexibility, resilience, and new options for manufacturing nuclear-grade components. Looking ahead, several directions emerge as critical to sustaining progress. Predictive modeling must become faster, more accessible, and more accurate, with digital twins and machine learning reducing reliance on trial and error. Powders and alloys must be optimized for HIP, with improved cleanliness, reduced oxides, and tailored chemistries that enhance creep, fatigue, and irradiation resistance. Interfaces between AM and HIP regions must be better engineered through coatings, machining strategies, and surface treatments to mitigate oxide formation and ensure reliable bonding to explore opportunities for HIP of targeted compositional parts, as well as multimaterial HIP cladding applications. Monitoring and nondestructive evaluation need to expand, incorporating multimodal sensors, x-ray computed tomography, and real-time data integration through platforms such as Pelican. At the same time, the pathway to industrial adoption requires techno-economic analysis, machinability studies, and qualification frameworks aligned with industry and regulatory standards. Finally, workforce and academic engagement must be strengthened. Programs that train technicians and engineers for US Navy and US Department of Energy manufacturing challenges should be paired with academic partnerships to support fundamental research, with open sharing of non-export-controlled data to accelerate innovation and build the next generation of experts. In conclusion, this report demonstrates that hybrid AM + PM-HIP is scientifically viable and strategically important. By combining the design agility of AM with the consolidation strength of HIP and embedding modeling, monitoring, and workforce development, this approach provided a transformative new capability for US manufacturing. The path forward is clear: hybrid AM + PM-HIP is not just a promising research direction but is also potentially an industrially relevant pathway that can reshape how nuclear-grade components are designed, qualified, and deployed.

36 MATERIALS SCIENCE↗

NASA NTRS2001

Hydrodynamic Stability of Liquid-Propellant Combustion: Landau's Problem Revisited

Hydrodynamic, or Landau, instability in combustion is typically associated with the onset of wrinkling of a flame surface, corresponding to the formation of steady cellular structures as the stability threshold is crossed. As its name suggests, it stems from hydrodynamic effects connected with thermal expansion across the reaction region. In the context of liquid-propellant combustion, the classical models that originally predicted this phenomenon have been extended to include the important effects that arise from a dynamic dependence of the burning rate on the local pressure and temperature fields. Thus, the onset of Landau instability has now been shown to occur for sufficiently small negative values of the pressure sensitivity of the burning rate, significantly generalizing previous classical results for this problem that assumed a constant normal burning rate. It has also been shown that the onset of instability occurs for decreasing values of the disturbance wave number as the gravitational-acceleration parameter decreases. Consequently, in an appropriate weak-gravity limit, Landau instability becomes a long-wave phenomena associated with the formation of large cells on the liquid-propellant surface. Additionally, a pulsating form of hydrodynamic instability has been shown to occur as well, corresponding to the onset of temporal oscillations in the location of the liquid/gas interface. This instability occurs for sufficiently large negative values of the pressure sensitivity, and is enhanced by increasing values of the burning-rate temperature sensitivity. It is further shown that for sufficiently small values of this parameter, there exists a stable range of pressure sensitivities for steady, planar burning such that the classical cellular form of hydrodynamic instability and the more recent pulsating form of hydrodynamic instability can each occur as the corresponding stability threshold is crossed. For larger thermal sensitivities, however, the pulsating stability boundary evolves into a C-shaped curve in the (disturbance-wave number, pressure-sensitivity) plane, indicating loss of stability to pulsating perturbations for all sufficiently large disturbance wavelengths. It is thus concluded, based on characteristic parameter values that an equally likely form of hydrodynamic instability in liquid-propellant combustion is of a nonsteady, long-wave nature, distinct from the steady, cellular form originally predicted by Landau.

Margolis, S. B.↗

NASA NTRS2022

Gravitational Effects on Liquefaction Systems for Lunar and Mars Exploration

There is interest at NASA, other space agencies, and industry, in the liquefaction of fluids produced through in-situ processes on the surfaces of the Moon and Mars. A multi-center team at NASA recently considered multiple different refrigeration cycles and refrigeration integration methodologies and how these might fit into early liquefaction plants for NASA's exploration initiatives. The rate of liquefaction for these initiatives is quite slow in comparison to large scale terrestrial applications. These studies concluded that, for both structural and heat spreading reasons, integrating the refrigeration tubing on the surface of the storage tank wall is an attractive path to pursue in the near term. In order to develop a technology development path and inform investors, it was desired to investigate the sensitivity of gravity of the processes involved. An analysis of the condensation processes within the tank is performed. The objective is to determine the sensitivity of liquefaction to gravitational effects. The heat transfer mechanisms include forced convection heat removal to the refrigeration system (or cryocooler), conduction through the tank wall heat exchanger, and convection and condensation on the inner tank wall. Gravity affects the liquefaction process via condensate liquid drainage, natural convection in the ullage, and the shape of the liquid-vapor interface within the tank. Analysis of these mechanisms shows that while there is some sensitivity to gravitational level in general, within the bounds of current interest (rate of liquefaction appropriate to Lunar and Martian applications, and cooling capacity of the cryocooler), this sensitivity of liquefaction to gravity is quite small. Thus, system level testing on the Earth should suffice for the performance prediction and demonstration of liquefaction operations as applicable to Lunar and Martian applications.

ISRU↗

NASA NTRS2002

An Experimental Investigation of Incompressible Richtmyer-Meshkov Instability

Richtmyer-Meshkov (RM) instability occurs when two different density fluids are impulsively accelerated in the direction normal to their nearly planar interface. The instability causes small perturbations on the interface to grow and eventually become a turbulent flow. It is closely related to Rayleigh-Taylor instability, which is the instability of a planar interface undergoing constant acceleration, such as caused by the suspension of a heavy fluid over a lighter one in the earth's gravitational field. Like the well-known Kelvin-Helmholtz instability, RM instability is a fundamental hydrodynamic instability which exhibits many of the nonlinear complexities that transform simple initial conditions into a complex turbulent flow. Furthermore, the simplicity of RM instability (in that it requires very few defining parameters), and the fact that it can be generated in a closed container, makes it an excellent test bed to study nonlinear stability theory as well as turbulent transport in a heterogeneous system. However, the fact that RM instability involves fluids of unequal densities which experience negligible gravitational force, except during the impulsive acceleration, requires RM instability experiments to be carried out under conditions of microgravity. This experimental study investigates the instability of an interface between incompressible, miscible liquids with an initial sinusoidal perturbation. The impulsive acceleration is generated by bouncing a rectangular tank containing two different density liquids off a retractable vertical spring. The initial perturbation is produced prior to release by oscillating the tank in the horizontal direction to produce a standing wave. The instability evolves in microgravity as the tank travels up and then down the vertical rails of a drop tower until hitting a shock absorber at the bottom. Planar Laser Induced Fluorescence (PLIF) is employed to visualize the flow. PLIF images are captured by a video camera that travels with the tank. Figure 1 is as sequence of images showing the development of the instability from the initial sinusoidal disturbance far into the nonlinear regime which is characterized by the appearance of mushroom structures resulting from the coalescence of baroclinic vorticity produced by the impulsive acceleration. At later times in this sequence the vortex cores are observed to become unstable showing the beginnings of the transition to turbulence in this flow. The amplitude of the growing disturbance after the impulsive acceleration is measured and found to agree well with theoretical predictions. The effects of Reynolds number (based on circulation) on the development of the vortices and the transition to turbulence are also determined.

Jacobs, J. W.↗

NASA NTRS1998

Development of an Experimental Data Base to Validate Compressor-Face Boundary Conditions Used in Unsteady Inlet Flow Computations

The ability to predict the dynamics of integrated inlet/compressor systems is an important part of designing high-speed propulsion systems. The boundaries of the performance envelope are often defined by undesirable transient phenomena in the inlet (unstart, buzz, etc.) in response to disturbances originated either in the engine or in the atmosphere. Stability margins used to compensate for the inability to accurately predict such processes lead to weight and performance penalties, which translate into a reduction in vehicle range. The prediction of transients in an inlet/compressor system requires either the coupling of two complex, unsteady codes (one for the inlet and one for the engine) or else a reliable characterization of the inlet/compressor interface, by specifying a boundary condition. In the context of engineering development programs, only the second option is viable economically. Computations of unsteady inlet flows invariably rely on simple compressor-face boundary conditions (CFBC's). Currently, customary conditions include choked flow, constant static pressure, constant axial velocity, constant Mach number or constant mass flow per unit area. These conditions are straightforward extensions of practices that are valid for and work well with steady inlet flows. Unfortunately, it is not at all likely that any flow property would stay constant during a complex system transient. At the start of this effort, no experimental observation existed that could be used to formulate of verify any of the CFBC'S. This lack of hard information represented a risk for a development program that has been recognized to be unacceptably large. The goal of the present effort was to generate such data. Disturbances reaching the compressor face in flight may have complex spatial structures and temporal histories. Small amplitude disturbances may be decomposed into acoustic, vorticity and entropy contributions that are uncoupled if the undisturbed flow is uniform. This study is focused on the response of an inlet/compressor system to acoustic disturbances. From the viewpoint of inlet computations, acoustic disturbances are clearly the most important, since they are the only ones capable of moving upstream. Convective and entropy disturbances may also produce upstream-moving acoustic waves, but such processes are outside the scope of the present study.

Sajben, Miklos↗

NASA NTRS2013

Spinoff 2012

Topics covered include: Water Treatment Technologies Inspire Healthy Beverages; Dietary Formulas Fortify Antioxidant Supplements; Rovers Pave the Way for Hospital Robots; Dry Electrodes Facilitate Remote Health Monitoring; Telescope Innovations Improve Speed, Accuracy of Eye Surgery; Superconductors Enable Lower Cost MRI Systems; Anti-Icing Formulas Prevent Train Delays; Shuttle Repair Tools Automate Vehicle Maintenance; Pressure-Sensitive Paints Advance Rotorcraft Design Testing; Speech Recognition Interfaces Improve Flight Safety; Polymers Advance Heat Management Materials for Vehicles; Wireless Sensors Pinpoint Rotorcraft Troubles; Ultrasonic Detectors Safely Identify Dangerous, Costly Leaks; Detectors Ensure Function, Safety of Aircraft Wiring; Emergency Systems Save Tens of Thousands of Lives; Oxygen Assessments Ensure Safer Medical Devices; Collaborative Platforms Aid Emergency Decision Making; Space-Inspired Trailers Encourage Exploration on Earth; Ultra-Thin Coatings Beautify Art; Spacesuit Materials Add Comfort to Undergarments; Gigapixel Images Connect Sports Teams with Fans; Satellite Maps Deliver More Realistic Gaming; Elemental Scanning Devices Authenticate Works of Art; Microradiometers Reveal Ocean Health, Climate Change; Sensors Enable Plants to Text Message Farmers; Efficient Cells Cut the Cost of Solar Power; Shuttle Topography Data Inform Solar Power Analysis; Photocatalytic Solutions Create Self-Cleaning Surfaces; Concentrators Enhance Solar Power Systems; Innovative Coatings Potentially Lower Facility Maintenance Costs; Simulation Packages Expand Aircraft Design Options; Web Solutions Inspire Cloud Computing Software; Behavior Prediction Tools Strengthen Nanoelectronics; Power Converters Secure Electronics in Harsh Environments; Diagnostics Tools Identify Faults Prior to Failure; Archiving Innovations Preserve Essential Historical Records; Meter Designs Reduce Operation Costs for Industry; Commercial Platforms Allow Affordable Space Research; Fiber Optics Deliver Real-Time Structural Monitoring; Camera Systems Rapidly Scan Large Structures; Terahertz Lasers Reveal Information for 3D Images; Thin Films Protect Electronics from Heat and Radiation; Interferometers Sharpen Measurements for Better Telescopes; and Vision Systems Illuminate Industrial Processes.

Source record↗

DOE OSTI2024

A multiphysics coupling framework for exascale simulation of fracture evolution in subsurface energy applications

Predicting the evolution of fractured media is challenging due to coupled thermal, hydrological, chemical and mechanical processes that occur over a broad range of spatial scales, from the microscopic pore scale to field scale. We present a software framework and scientific workflow that couples the pore scale flow and reactive transport simulator Chombo-Crunch with the field scale geomechanics solver in GEOS to simulate fracture evolution in subsurface fluid-rock systems. This new multiphysics coupling capability comprises several novel features. An HDF5 data schema for coupling fracture positions between the two codes is employed and leverages the coarse resolution of the GEOS mechanics solver which limits the size of data coupled, and is, thus, not taxed by data resulting from the high resolution pore scale Chombo-Crunch solver. The coupling framework requires tracking of both before and after coarse nodal positions in GEOS as well as the resolved embedded boundary in Chombo-Crunch. We accomplished this by developing an approach to geometry generation that tracks the fracture interface between the two different methodologies. The GEOS quadrilateral mesh is converted to triangles which are organized into bins and an accessible tree structure; the nodes are then mapped to the Chombo representation using a continuous signed distance function that determines locations inside, on and outside of the fracture boundary. The GEOS positions are retained in memory on the Chombo-Crunch side of the coupling. The time stepping cadence for coupled multiphysics processes of flow, transport, reactions and mechanics is stable and demonstrates temporal reach to experimental time scales. The approach is validated by demonstration of 9 days of simulated time of a core flood experiment with fracture aperture evolution due to invasion of carbonated brine in wellbore-cement and sandstone. We also demonstrate usage of exascale computing resources by simulating a high resolution version of the validation problem on OLCF Frontier.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2013

Viability of 3 D Woven Carbon Cloth and Advanced Carbon-Carbon Ribs for Adaptive Deployable Entry Placement Technology (ADEPT) for Future NASA Missions

This paper describes aerothermodynamic and thermal structural testing that demonstrate the viability of three dimensional woven carbon cloth and advanced carbon-carbon (ACC) ribs for use in the Adaptive Deployable Entry Placement Technology (ADEPT). ADEPT is an umbrella-like entry system that is folded for stowage in the launch vehicle's shroud and deployed prior to reaching the atmeopheric interface. A key feature of the ADEPT concept is a lower ballistic coefficient for delivery of a given payload than seen with conventional, rigid body entry systems. The benefits that accrue from the lower ballistic coefficient incllude factor-of-ten reductions of deceleration forces and entry heating. The former enables consideration of new classes of scientific instruments for solar system exploration while the latter enables the design of a more efficient thermal protection system. The carbon cloth base lined for ADEPT has a dual use in that it serves as the thermal protection system and as the "skin" that transfers aerdynamic deceleration loads to its umbrella-like substructure. Arcjet testing described in this paper was conducted for some of the higher heating conditions for a future Venus mission using the ADEPT concept, thereby showing that the carbon cloth can perform in a relevant entry environment. Recently completed the thermal structural testing of the cloth attached to a representative ACC rib design is also described. Finally, this paper describes a preliminary engineering level code, based on the arcjet data, that can be used to estimate cloth thickness for future ADEPT missions and to predict carbon cloth performance in future arcjet tests.

ADEPT↗

DOE OSTI2025

Exploring Domain-Wall Pinning in Ferroelectrics via Automated High-Throughput Atomic Force Microscopy

Domain-wall dynamics in ferroelectric materials are strongly position-dependent, since each polar interface is locked into a unique local microstructure. This necessitates spatially resolved studies of wall pinning using scanning-probe microscopy techniques. The pinning centers and pre-existing domain walls are usually sparse within the image plane, precluding the use of dense hyperspectral imaging modes and requiring time-consuming human experimentation. Here, a large-area epitaxial PbTiO 3 film on cubic KTaO 3 was investigated to quantify the electric-field-driven dynamics of the polar–strain domain structures using ML-controlled automated piezoresponse force microscopy. Analysis of 1500 switching events reveals that domain-wall displacement depends not only on field parameters but also on the local ferroelectric–ferroelastic configuration. For example, twin boundaries in polydomains regions, like a 1 – /c+ ∥ a 2 – /c – , stay pinned up to a certain level of bias magnitude and change only marginally as the bias increases from 20 to 30 V, whereas single-variant boundaries, like the a 2 + /c + ∥ a 2 – /c – stack, are already activated at 20 V. These statistics on the possible ferroelectric and ferroelastic wall orientations, together with the automated high-throughput AFM workflow, can be distilled into a predictive map that links domain configurations to pulse parameters. Here, this microstructure-specific rule set forms the foundation for the design of ferroelectric memories.

automated scanning probe microscopy↗

DOE OSTI2024

Myna

The additive manufacturing (AM) community has been developing digital factory tools over the past decade to better leverage the multi-modal process data coming out of the advanced manufacturing process. As a result, numerous databases of additive manufacturing process data exist in the literature and in the archival storage of disparate research groups. While some efforts have been made to create a standard ontology for storing and sharing AM data, in practice a variety of data structures are used to store AM build data, even within a single institution. This causes many problems for maintainability and extensibility when attempting to integrate computational modeling tools with experimental data to either validate models or to provide further insight into results and trends. Myna is a Python-based framework that aims to decrease the effort needed to connect individual computational models to the variety of AM process data that exist in different research groups and institutions. This type of software is sometimes referred to as "middleware" or “glueware,” in that it connects disparate databases and applications into a single computational ecosystem. Instead of maintaining unique interfaces between each application and each database, developers can create a single interface from each application to Myna and thereby gain access to the implemented database connections. Similarly, developing a database connection in Myna provides access to the developed simulation applications. This framework greatly simplifies the maintainability of model applications that rely on experimental data. Using external simulation tools, users will also be able to run pre-configured workflows using the built-in workflow manager. Several examples of input files are provided with Myna for different workflows, including melt pool geometry predictions and detailed melt pool and solidification microstructure predictions.

Knapp, GerryL. [Oak Ridge National Laboratory (ORN↗

DOE OSTI2024

The Radiation-Induced Fate of Fission Product Iodine in Molten Salts

Understand and Predict Radiation-Induced Iodine Speciation, Chemistry, and Transport in High-Temperature Molten Salts Award Number: DE-AC07-05ID1451 Gregory P. Holmbeck (Gregory.Holmbeck@inl.gov), Center for Radiation Chemistry Research, Idaho National Laboratory, 1955 N. Fremont Avenue Idaho Falls, ID, 83415, USA. Project Scope The goal of this Chemical and Materials Sciences to Advance Clean Energy Technologies and Low-Carbon Manufacturing project is to understand and predict the radiation-induced speciation, chemistry, and transport of fission product iodine in the triumvirate extremes of high-temperature, ionizing radiation, and corrosive molten salts. This missing fundamental information is critical for the accelerated development and deployment of safe, clean nuclear energy based on molten salt reactor (MSR) and pyrochemical reprocessing technologies. The central hypothesis driving this research is, the radiation-induced conversion of iodide will yield an extensive suite of transient and steady-state iodine radiolysis products that will alter the bulk chemical and physical properties of the irradiated molten salt system—the speciation, distribution, and chemical transport of which will be dictated by the composition and the availability of multivalent metal cations and metal alloy interfaces. To test this hypothesis, this project initiated three synergistic Research Objectives: (1) determine how the inclusion of iodine/iodide influences the chemical and physical properties of complex molten salt mixtures; (2) elucidate the speciation and fundamental chemical behavior of transient and steady-state iodine/iodide species formed by the irradiation of molten and solid salt mixtures; and (3) understand the influence of interfacial processes on determining the final disposition of iodine in high temperature molten salts, notably the structure and chemical speciation of iodine at metal-salt interfaces.

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