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At least 793 records · Page 44

Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling

We present thermodynamic properties for liquid uranium obtained from classical molecular dynamics (MD) simulations and the first-principles theory. The coexisting phases method incorporated within MD modeling defines the melting temperature of uranium in good agreement with the experiment. The calculated melting enthalpy is in agreement with the experimental range. Classical MD simulations show that ionic contribution to the total specific heat of uranium does not depend on temperature. The density of states at the Fermi level, which is a crucial parameter in the determination of the electronic contribution to the total specific heat of liquid uranium, is calculated by ab initio all electron density functional theory (DFT) formalism applied to the atomic configurations generated by classical MD. The calculated specific heat of liquid uranium is compared with the previously calculated specific heat of solid γ-uranium at high temperatures. The liquid uranium cannot be supercooled below T sc ≈ 800 K or approximately about 645 K below the calculated melting point, although, the self-diffusion coefficient approaches zero at T D ≈ 700 K. Uranium metal can be supercooled about 1.5 times more than it can be overheated. The features of the temperature hysteresis are discussed.

36 MATERIALS SCIENCE↗

Engineering shallow and deep level defects in $\kappa$-Ga 2 O 3 thin films: comparing metal-organic vapour phase epitaxy to molecular beam epitaxy and the effect of annealing treatments

Orthorhombic gallium oxide (κ-Ga 2 O 3 ) is an ultra-wide bandgap semiconductor with great potential in new generation electronics. Its application is hindered at present by the limited physical understanding of the relationship between synthesis and functional properties. This work discusses the effects of growth method (metal-organic vapour phase epitaxy and molecular beam epitaxy) as well as annealing treatments in different atmospheres (O 2 , H 2 ) on point defects in κ-Ga 2 O 3 layers epitaxially grown on c-plane sapphire. Comprehensive experimental characterization by X-ray diffraction, photo current-as well as photoluminescence excitation spectroscopy, and X-ray photo electron spectroscopy is combined with first principles calculations of the point defects’ formation and complex-dissociation energies. We demonstrate that for κ-Ga 2 O 3 the concentration of shallow and deep level defects can be sensitively controlled through annealing treatments at temperatures (T = 500 °C) well below the thermal stability threshold of this polymorph. In particular, our results suggest that hydrogen-related defects (e.g., H-interstitials, Ga-vacancies—H complexes) play a key role in this process. While we provide direct exemplary implications of our results for the performances of κ-Ga 2 O 3 based photodetectors, these findings are predicted to impact further application fields of κ-Ga 2 O 3 , such as high electron mobility transistors or memory devices.

36 MATERIALS SCIENCE↗

Disorder driven crossover between anomalous Hall regimes in Fe 3 GaTe 2

The large anomalous Hall conductivity (AHC) of the Fe 3 ⁢(Ge,Ga)⁢Te 2 compounds has attracted considerable attention. Here, we expose the intrinsic nature of the AHC in Fe 3 ⁢GaTe 2 crystals characterized by high conductivities, which show disorder-independent AHC with a pronounced value 𝜎$^{c}_{𝑥⁢𝑦}$≈ 420 Ω −1 ⁢cm −1 . In the low-conductivity regime, we observe the scaling relation 𝜎 𝑥⁢𝑦 ∝ 𝜎$^{1.6}_{𝑥⁢𝑥}$, which crosses over to 𝜎 𝑥⁢𝑦 ≃ 𝜎$^{c}_{𝑥⁢𝑦}$ as 𝜎 𝑥⁢𝑥 increases. Disorder in low-conductivity crystals is confirmed by the broadening of a first-order transition between ferromagnetism and the ferrimagnetic ground state. Through density functional theory (DFT) calculations, we reveal that the dominant sources of Berry curvature are located a few hundred meV below the Fermi energy around the Γ point. Furthermore, Fe 3⁢ GaTe 2 clearly exposes the disorder-induced crossover among distinct AHC regimes, previously inferred from measurements on different ferromagnets located on either side of the crossover region.

36 MATERIALS SCIENCE↗

Biofouling and Corrosion Study for a Novel Linear Guided Wave Energy Converter (Post Access Report)

The overall objective of this project was to examine the reliability and performance of antibiofouling coatings used for a wave energy converter (WEC) developed by E-Wave Technologies. The particular coatings were selected for their low toxicity and potential compatibility with aquaculture. The aim of this work was to 1) test coating solutions to prevent biofouling growth and saltwater corrosion on the static (paddle and attachment frame surface) components of the WEC that are submerged, 2) determine adhesion of the coatings to system components, and 3) assess the ease and effectiveness of biofouling cleaning to insure long term performance of the system. An analysis of commercial coatings was performed using methods to examine the prevention of biofouling and coating adhesion properties on two key materials of the WEC, which were 316L low carbon marine grade stainless steel (SS) and Ultra High Molecular Weight Polyethylene (PE). Three marine antifouling paints were selected based on their unique properties to test how different paint styles perform on different materials. The selected paints were ePaint Ecominder self-polishing paint with Zinc Omadine for slime control, Pettit ECO HRT Copper-Free ablative antifouling with Econea biocide, and Intersleek 1100SR foul release. Pacific Northwest National Laboratory (PNNL) prepared PE and SS substrates coated with the three paints and compared the performance against uncoated substrates when submerged in raw seawater for 3-, 6-, and 9-month (m) time periods. Results in adhesion testing indicated that Pettit and ePaint materials clearly bonded strongly to SS, but did not bond comparably well to PE. It was noted during adhesion testing that the Intersleek surfaces were especially difficult to test as the paint highly resists bonding to the epoxy adhesives used with the adherence testing platform. The wear rate of the coatings was not measured under this study; however, based on adhesion testing, coatings in the sliding regions of the Ewave device are expected to wear rapidly. Sandia National Laboratories (SNL) evaluated the adhesion of three different paints to PE and SS substrates which were exposed to a marine environment for time intervals of 0, 3, 6, and 9 months. From qualitative visual analysis of the 3 in2 coupons when pulled from the tank, the 3 in2 coupons generally only appeared to have biofouling consisting of filamentous algae or diatoms, which all have relatively low mass and can be easily wiped from the surface of coupons. Qualitative visual analysis indicated that ECO HRT and Unpainted were consistently worse than Intersleek and Ecominder at all time points. Results provide insight to aid with down-selection of commercial coatings under static conditions to support reliability of the WEC and potential maintenance schedules. This investigation was conducted using small coupon samples suspended in seawater and the development of testing rigs for dynamic component level testing is needed for future work. In addition, the potential toxicity of these commercial coatings on aquaculture has not been determined by this study. One recommendation is to conduct toxicity investigations at the Environmental Toxicity Laboratory at Oak Ridge National Laboratory.

16 TIDAL AND WAVE POWER↗

Building Specifications

The building in the top photo is the new home of the National Permanent Savings Bank in Washington, D.C., designed by Hartman-Cox Architects. Its construction was based on a money-saving method of preparing building specifications which derived from NASA technology developed to obtain quality construction while holding down cost of launch facilities, test centers and other structures. Written technical specifications spell out materials and components to be used on construction projects and identify the quality tests each item must pass. Specifications can have major impact on construction costs. Poorly formulated specifications can lead to unacceptable construction which must be replaced, unnecessarily high materials costs, safety hazards, disputes and often additional costs due to delays and litigation. NASA's Langley Research Center developed a novel approach to providing accurate, uniform, cost-effective specifications which can be readily updated to incorporate new building technologies. Called SPECSINTACT, it is a computerized - system accessible to all NASA centers involved in construction programs. The system contains a comprehensive catalog of master specifications applicable to many types of construction. It enables designers of any structure to call out relevant sections from computer storage and modify them to fit the needs of the project at hand. Architects and engineers can save time by concentrating their efforts on needed modifications rather than developing all specifications from scratch. Successful use of SPECSINTACT has led to a number of spinoff systems. One of the first was MASTERSPEC, developed from NASA's experience by Production Systems for Architects and Engineers, Inc., an organization established by the American Institute of Architects. MASTERSPEC, used in construction of the bank building pictured, follows the same basic format as SPECSINTACT and can be used in either automated or manual modes. The striking appearance of the bank building shows that, while MASTERSPEC saves time and money, its use involves no sacrfice in architectural design freedom. The Naval Engineering Facilities Command employs an automated specifications system based on SPECSINTACT. The Public Buildings Service of the General Services Administration used SPECSINTACT as a starting point in a plan to make its guideline specifications available to architects and engineers on a nationwide computer network. Public Technology, Inc., a NASA Technology Application Team, is working with Production Systems for Architects and Engineers, Inc., to promote widespread use of the system by state and local governments for cost benefits to taxpayers.

Source record↗

Design and Development of a Laboratory-Scale Ice Adhesion Testing Device

When an aircraft traverses through clouds containing supercooled water droplets, in-flight icing can occur that negatively affects vehicle performance by increasing weight and drag leading to loss of lift. Super-cooled water droplets present in clouds that impact vehicle surfaces can lead to inflight icing any time during the year.1 Most events occur at temperatures ranging from 0 to -20degC. Ice generated on the aircraft can vary between clear/glaze, rime, and mixed (Fig. 1) depending on air temperature (-5 to -20degC), liquid water content (0.3-0.6 g/m3), and droplet size (median volumetric diameter of 15-40 μm). Current strategies to remove ice are based on active technologies such as pneumatic boots, heated surfaces, and deicing agents (i.e., ethylene- and propylene-based glycols). The latter have potential environmental concerns. A passive approach to mitigate accreting ice that is actively being investigated are protective coatings. An ice mitigating coating could potentially be used as a stand-alone material, but more likely in combination with an active approach. In the latter scenario, potential reduction in power consumption by the active approach may be realized. To determine the ice adhesion strength of impact ice that is representative of the aircraft environment is not a trivial matter. Test methods utilizing slowly formed ice (i.e., freezer ice) do not accurately simulate this environment. Likewise, some testing methodologies involve sample relocation from the icing environment to the test chamber that can result in thermal shock to the sample, thus affecting the results. The Adverse Environment Rotor Test Stand (AERTS) located at Pennsylvania State University (PSU) has been demonstrated to simulate impact icing conditions within the icing envelope for the determination of ice adhesion shear strength (IASS) without removal/relocation of the sample.2 Due to the confidence in results obtained from AERTS, this instrument is in high demand and requires a significant amount of lead time and capital investment to obtain IASS results. As a solution for quickly and economically screening coatings in a controlled manner under impact icing conditions, a laboratory-scale ice adhesion test and dead blades were then removed from the rotor/blade assembly to obtain the final mass. The IASS of the live blade was determined from the difference in mass (before and after testing) of the live and dead blades, the ice shed area, and the rpm of the shed event. The same live blade sample was tested in triplicate at all three test temperatures. Surface roughness was determined using a Bruker Dektak XT Stylus Profilometer. Measurements were conducted using a 12.5 μm tip at a vertical range of 65.5 μm with an applied force of 3 mg. Data were collected over a 1.0 mm length at a resolution of 0.056 μm/point. Five single line scans at different locations were collected and processed using a two-point leveling subtraction. The resultant Ra (arithmetic roughness) and Rq (root mean square roughness) average values were calculated.

Smith, Joseph G., Jr.↗

On-demand formation of Lewis bases for efficient and stable perovskite solar cells

In the fabrication of FAPbI 3 -based perovskite solar cells, Lewis bases play a crucial role in facilitating the formation of the desired photovoltaic α-phase. However, an inherent contradiction exists in their role: they must strongly bind to stabilize the intermediate δ-phase, yet weakly bind for rapid removal to enable phase transition and grain growth. To resolve this conflict, we introduced an on-demand Lewis base molecule formation strategy. This approach utilized Lewis-acid-containing organic salts as synthesis additives, which deprotonated to generate Lewis bases precisely when needed and could be reprotonated back to salts for rapid removal once their role is fulfilled. This method promoted the optimal crystallization of α-phase FAPbI 3 perovskite films, ensuring the uniform vertical distribution of A-site cations, larger grain sizes and fewer voids at buried interfaces. Perovskite solar cells incorporating semicarbazide hydrochloride achieved an efficiency of 26.1%, with a National Renewable Energy Laboratory-certified quasi-steady-state efficiency of 25.33%. These cells retained 96% of their initial efficiency after 1,000 h of operation at 85 °C under maximum power point tracking. Additionally, mini-modules with an aperture area of 11.52 cm 2 reached an efficiency of 21.47%. This strategy is broadly applicable to all Lewis-acid-containing organic salts with low acid dissociation constants and offers a universal approach to enhance the performance of perovskite solar cells and modules.

14 SOLAR ENERGY↗

A Tutorial on Bayesian analysis of linear shock compression data

Gas gun and other shock compression experiments often produce shock wave velocity measurements that are linearly associated with particle velocity. Traditionally, this empirical relationship is quantified with a single Hugoniot curve that is estimated using least squares regression. However, for downstream modeling and simulation tasks, it is often more useful to have multiple Hugoniot curves in the pressure–volume plane that are consistent with the data. We employ Bayesian uncertainty quantification methods as a framework for propagating measurement uncertainty through to model parameters and predictions. Specifically, this Tutorial shows how to sample multiple Hugoniot curves in the pressure–volume plane that are consistent with the shock wave-particle velocity measurements in a two-step Bayesian approach. First, we obtain an analytical expression for the posterior distribution of the linear model parameters using Bayesian linear regression. Second, we propagate samples from the posterior distribution through the Rankine–Hugoniot equations to yield Hugoniot curves in the pressure–volume plane. The procedure is demonstrated with publicly available data on argon, copper, and nickel, and compared against bootstrapping and linear regression. The Bayesian procedure is shown to be interpretable, computationally inexpensive, and less sensitive than an alternative bootstrapping approach to the removal of the point in the copper dataset that has the largest particle velocity. As a Tutorial on Bayesian methodology for the shock compression community, we provide several derivations and explanations that make this paper self-contained, and make all code and data available at github.com/llnl/BALSCD.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Validation of Proposed Metrics for Two-Body Abrasion Scratch Test Analysis Standards

Abrasion of mechanical components and fabrics by soil on Earth is typically minimized by the effects of atmosphere and water. Potentially abrasive particles lose sharp and pointed geometrical features through erosion. In environments where such erosion does not exist, such as the vacuum of the Moon, particles retain sharp geometries associated with fracturing of their parent particles by micrometeorite impacts. The relationship between hardness of the abrasive and that of the material being abraded is well understood, such that the abrasive ability of a material can be estimated as a function of the ratio of the hardness of the two interacting materials. Knowing the abrasive nature of an environment (abrasive)/construction material is crucial to designing durable equipment for use in such surroundings. The objective of this work was to evaluate a set of standardized metrics proposed for characterizing a surface that has been scratched from a two-body abrasion test. This is achieved by defining a new abrasion region termed Zone of Interaction (ZOI). The ZOI describes the full surface profile of all peaks and valleys, rather than just measuring a scratch width. The ZOI has been found to be at least twice the size of a standard width measurement; in some cases, considerably greater, indicating that at least half of the disturbed surface area would be neglected without this insight. The ZOI is used to calculate a more robust data set of volume measurements that can be used to computationally reconstruct a resultant profile for de tailed analysis. Documenting additional changes to various surface roughness par ameters also allows key material attributes of importance to ultimate design applications to be quantified, such as depth of penetration and final abraded surface roughness. Further - more, by investigating the use of custom scratch tips for specific needs, the usefulness of having an abrasion metric that can measure the displaced volume in this standardized manner, and not just by scratch width alone, is reinforced. This benefit is made apparent when a tip creates an intricate contour having multiple peaks and valleys within a single scratch. The current innovation consists of a software- driven method of quantitatively evaluating a scratch profile. The profile consists of measuring the topographical features of a scratch along the length of the scratch instead of the width at one location. The digitized profile data is then fed into software code, which evaluates enough metrics of the scratch to reproduce the scratch from the evaluated metrics. There are three key differences between the current art and this innovation. First, scratch width does not quantify how far from the center of the scratch damage occurs (ZOI). Second, scratch width does not discern between material displacement and material removal from the scratch. Finally, several scratches may have the same width but different zones of interactions, different displacements, and different material removals. The current innovation allows quantitative assessment of all three.

Street, Kenneth W., Jr.↗

Computational mechanics needs study

In order to assess the needs in computational mechanics over the next decade, we formulated a questionnaire and contacted computational mechanics researchers and users in industry, government, and academia. As expected, we found a wide variety of computational mechanics usage and research. This report outlines the activity discussed with those contacts, as well as that in our own organizations. It should be noted that most of the contacts were made before the recent decline of the defense industry. Therefore, areas which are strongly defense-oriented may decrease in relative importance. In order to facilitate updating of this study, names of a few key researchers in each area are included as starting points for future literature surveys. These lists of names are not intended to represent those persons doing the best research in that area, nor are they intended to be comprehensive. They are, as previously stated, offered as starting points for future literature searches. Overall, there is currently a broad activity in computational mechanics in this country, with the breadth and depth increasing as more sophisticated software and faster computers become more available. The needs and desires of the workers in this field are as diverse as their background and organizational products. There seems to be some degree of software development in any organization (although the level of activity is highly variable from one organization to another) which has any research component in its mission. It seems, however, that there is considerable use of commercial software in almost all organizations. In most industrial research organizations, it appears that very little actual software development is contracted out, but that most is done in-house, using a mixture of funding sources. Government agencies vary widely in the ratio of in-house to out-house ratio. There is a considerable amount of experimental verification in most, but not all, organizations. Generally, the amount of experimental verification is more than we expected. Of all the survey contacts, one or two believe that the resources they are allocated are sufficient, but most do not. Some believe they have only half the resources they need. Some see their resource deficits as short-term, while others see it as a trend which will continue or perhaps worsen. The pessimism is stronger in the defense and aerospace industry. When considering only the nonlinear development efforts, there appears to be an even mix of geometric and material nonlinearity. There is not much particular emphasis in linear analysis unless it is in extension of current analysis capabilities to larger problems. The primary exception is concern about modeling of composites, where proven methodologies have trailed element and computer hardware development. Most of the people we spoke to use finite element techniques, but there is some finite difference and boundary element work ongoing. There is also some interest in multiple methods. Coupling of finite elements and boundary elements appears to be of high interest, since the two analysis types are complementary.

Griffin, O. Hayden, Jr.↗

Far-infrared investigation of the Taurus star-forming region using the IRAS database

The Infrared Astronomical Satellite (IRAS) has given us the first completely unbiased sky-survey in the far-infrared with wavebands centered at 12, 25, 60 and 100 microns. The Taurus-Auriga complex was selected as the first molecular cloud to be investigated in this study. The Taurus clouds were defined as lying between 04h and 05h in R.A. and +16 to +31 degrees in Dec., then the IRAS point-source catalogue was searched for sources with good or moderate quality fluxes in all three of the shortest IRAS bands. The sources which were selected in this way were then classified into subgroups according to their IRAS colors. Taurus is generally believed to be an area of low-mass star formation, having no luminous O-B associations within or near to the cloud complex. Once field stars, galaxies and planetary nebulae had been removed from the sample only the molecular cloud cores, T Tauri stars and a few emission-line A and B stars remained. The great majority of these objects are pre-main sequence in nature and, as stated by Chester (1985), main sequence stars without excess far-infrared emission would only be seen in Taurus if their spectral types were earlier than about A5 and then not 25 microns. By choosing our sample in this way we are naturally selecting the hotter and thus more evolved sources. To counteract this, the molecular cloud core-criterion was applied to soruces with good or moderate quality flux at 25, 60 and 100 microns, increasing the core sample by about one third. The candidate protostar B335 is only detected by IRAS at 60 and 100 microns while Taurus is heavily contaminated by cirrus at 100 microns. This means that detection at 25 microns is also required with those at 60 and 100 microns to avoid confusing a ridge of cirrus with a genuine protostar. The far-infrared luminosity function of these sources is then calculated and converted to the visual band by a standard method to compare with the field star luminosity function of Miller and Scalo. The eventual aim of this work is to obtain far-infrared luminosity functions for a number of molecular clouds which are known to be forming low-mass stars and to investigate how the slope is affected by changes in the density and turbulence of material.

Hughes, J. D.↗

Development of an interatomic potential for the Ta–Li system

A new interatomic potential for the Ta–Li system is introduced to facilitate the study of phase stability, mechanical properties and non-equilibrium dynamics after Li implantation in Ta. Here, this potential is based on a generalization of the embedded atom method (GEAM) and includes contributions from embedding energy, explicit two- and three-body interactions, and nonlocal many-body interaction terms. The parameters of the potential are optimized using energies and atomic forces for a wide range of configurations obtained from ab initio density functional theory (DFT) calculations. The potential is rigorously validated across a range of physical properties, including elastic constants, equations of state, phonon dispersion curves, point defect properties, and melting temperatures for different compositions. Although our potential is trained on a small dataset, its accuracy is comparable to that of available machine learning potentials for Li and Ta. Our simulations show that at temperatures below 500 K, Li atoms in Ta–Li alloys form clusters separated by Ta-rich domains, and we find no evidence of ordered phase formation. For Li concentrations below a few percent, Li atoms preferentially segregate to surfaces and grain boundaries. However, in alloys containing more than ~10% Li, the accumulation of Li in symmetric-tilt grain boundaries can lead to one of the following effects: formation of amorphous-like regions, changes in grain boundary structural units, or lateral movement of the grain boundary.

GEAM potential↗

Calibration of RAFM Micromechanical Model for Creep Using Bayesian Optimization for Functional Output

A Bayesian optimization procedure is presented for calibrating a multimechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on Fe(8–9)%Cr are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600°C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework (Huang et al., 2021, “Bayesian optimization of functional output in inverse problems,” Optim. Eng., 22, pp. 2553–2574). Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. In conclusion, validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel.

42 ENGINEERING↗

Optimization of Car Body under Constraints of Noise, Vibration, and Harshness (NVH), and Crash

To be competitive on the today's market, cars have to be as light as possible while meeting the Noise, Vibration, and Harshness (NVH) requirements and conforming to Government-man dated crash survival regulations. The latter are difficult to meet because they involve very compute-intensive, nonlinear analysis, e.g., the code RADIOSS capable of simulation of the dynamics, and the geometrical and material nonlinearities of a thin-walled car structure in crash, would require over 12 days of elapsed time for a single design of a 390K elastic degrees of freedom model, if executed on a single processor of the state-of-the-art SGI Origin2000 computer. Of course, in optimization that crash analysis would have to be invoked many times. Needless to say, that has rendered such optimization intractable until now. The car finite element model is shown. The advent of computers that comprise large numbers of concurrently operating processors has created a new environment wherein the above optimization, and other engineering problems heretofore regarded as intractable may be solved. The procedure, shown, is a piecewise approximation based method and involves using a sensitivity based Taylor series approximation model for NVH and a polynomial response surface model for Crash. In that method the NVH constraints are evaluated using a finite element code (MSC/NASTRAN) that yields the constraint values and their derivatives with respect to design variables. The crash constraints are evaluated using the explicit code RADIOSS on the Origin 2000 operating on 256 processors simultaneously to generate data for a polynomial response surface in the design variable domain. The NVH constraints and their derivatives combined with the response surface for the crash constraints form an approximation to the system analysis (surrogate analysis) that enables a cycle of multidisciplinary optimization within move limits. In the inner loop, the NVH sensitivities are recomputed to update the NVH approximation model while keeping the Crash response surface constant. In every outer loop, the Crash response surface approximation is updated, including a gradual increase in the order of the response surface and the response surface extension in the direction of the search. In this optimization task, the NVH discipline has 30 design variables while the crash discipline has 20 design variables. A subset of these design variables (10) are common to both the NVH and crash disciplines. In order to construct a linear response surface for the Crash discipline constraints, a minimum of 21 design points would have to be analyzed using the RADIOSS code. On a single processor in Origin 2000 that amount of computing would require over 9 months! In this work, these runs were carried out concurrently on the Origin 2000 using multiple processors, ranging from 8 to 16, for each crash (RADIOSS) analysis. Another figure shows the wall time required for a single RADIOSS analysis using varying number of processors, as well as provides a comparison of 2 different common data placement procedures within the allotted memories for each analysis. The initial design is an infeasible design with NVH discipline Static Torsion constraint violations of over 10%. The final optimized design is a feasible design with a weight reduction of 15 kg compared to the initial design. This work demonstrates how advanced methodology for optimization combined with the technology of concurrent processing enables applications that until now were out of reach because of very long time-to-solution.

Kodiyalam, Srinivas↗

Thermal and electric field driven rf breakdown precursor formation on metal surfaces

The phenomenon of electric breakdown poses serious challenges to the design of devices that operate in high electric field environments. Experimental evidence points toward breakdown events that are accompanied by elevated temperatures and dark current spikes, which is attributed to high-asperity nanostructure formation that enhances the local electric field and triggers a runaway process. However, the exact mechanistic origin of such nanostructures under typical macroscopic operational conditions of electric field and magnetic-field-mediated heating remains poorly understood. In this work, we simulate the evolution of a copper surface under the combined action of the electric fields and elevated temperatures. Using a mesoscale curvature-driven surface evolution model, we show how a copper surface can undergo a type of dynamical instability that naturally leads to the formation of sharp asperities in realistic experimental conditions. Exploring the combined effect of fields and temperature rise, we identify the critical regimes that allow for the formation of breakdown precursors. The results show that thermoelastic stresses, while not essential, can significantly lower the critical electric field required for runaway surface instability, which is consistent with experimental observations that thermal effects can increase breakdown rates. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

Simulating the Formation of Lunar Floor-Fracture Craters Using Elastoviscoplastic Relaxation

Lunar floor-fracture craters formed during the height of mare basalt emplacement. Due to a general temporal and spatial relation with the maria, these craters, numbering some 200, may be diagnostic of the thermal structure of the crust during this time. As the name suggests, these craters exhibit brittle failure, generally limited to the central floor region. That, and a shallower depth than fresh lunar craters, has led to two main theories as to their formation: laccolith emplacement under the crater and viscous relaxation. The implications of each model for the state of the Moon's crust during this time are quite different, so the viability of each model must be checked. Laccolith emplacement has been treated elsewhere. However, previous attempts to study the relaxation of the craters have assumed only a uniform, Newtonian viscous response of the near surface to the topographic driving forces, and simply postulated that the fractures resulted from tensile stresses associated with floor uplift. Here, we use a more sophisticated rheological model that includes not only non-Newtonian viscous behavior (i.e., the viscosity is stress-dependent), but also incorporates elastic behavior and a plastic component to the rheology to directly simulate the formation of the floor fractures. The results of our simulations show that while elastoviscoplastic relaxation is potentially viable for larger floor-fracture craters, it is not viable for craters with diameters < or = 60 km, the size of the majority of floor-fracture craters. We employ the finite element method, a numerical technique well suited for boundary-value problems, via the commercially available MARC software package. To test the viability of topographic relaxation, our goal is to prepare the simulations as to maximize the amount of relaxation. We take advantage of the natural axisymmetry of craters, simulating one radial plane. Initial shapes are based on data for fresh craters from Pike. To simplify implementation, a fourth order polynomial is used for the basin, while a third order inverse function is used for the rim. This form closely approximates the long-wavelength behavior of complex craters, while ignoring higher-frequency topography, save the rim. This approximation is appropriate because crater relaxation is strongly controlled by long-wavelength topography. Loading is accomplished assuming a uniform gravity field (1.62 m/s-square) and a uniform density of 2900 kg/cubic m. The initial stress state is set to be hydrostatic, with an additional pressure term to account for any overlying topography. This additional pressure term is tapered exponentially with depth. While the simulations quickly settle on a preferred stress state, and while the final solution is fairly insensitive to the choice of the e-folding depth of the taper, selecting an e-folding depth close to the diameter of the crater sets the initial stress state near the preferred state. We assume a diuranally averaged surface temperature of -20 C, and allow temperature to increase with depth at a rate of 50 K//km. Assuming a thermal conductivity of 2 W/in/K, this gradient translates to a heat flow of 100mW/square m, an extremely high value for the Moon. Temperature, of course, will not increase without bound. To maximize relaxation, we allow our temperature profile to increase linearly until it reaches the solidus (assumed to be 1200C) at a depth of 24.4 km, at which point it is kept constant. The presence of melt will drop the bulk viscosity; however, we have no rheological control for partial melts. Therefore, we make no attempt to simulate this situation. Elastoviscoplastic rheological model. In general, geologic materials can behave in three main ways: elastically, viscously (via solid-state creep), and brittly (plasticity is a continuum approach to simulate this phenomenon). We combine these three deformation mechanisms in an extended Maxwell solid, where the total strain can be broken down into a simple summation of the elastic, creep, and plastic strains. In relaxation phenomena in general, the system takes advantage of any means possible to eliminate deviatoric stresses by relaxing away the topography. Previous analyses have only modeled the viscous response. Comparatively, the elastic response in our model can augment the relaxation, to a point. This effect decreases as the elastic response becomes stiffer; indeed, in the limit of infinite elastic Young's modulus (and with no plasticity), the solution converges on the purely viscous solution. Igneous rocks common to the lunar near-surface have Young's modulii in the range of 10-100 GPa. To maximize relaxation, we use a Young's modulus of 10 GPa. (There is negligible sensitivity to the other elastic modulus, the Poisson's ratio; we use 0.25.) For the viscous response, we use a flow law for steady-state creep in thoroughly dried Columbia diabase, because the high plagioclase (about 70 vol%) and orthopyroxene (about 17 vol%) content is similar to the composition of the lunar highland crust as described by remote sensing and sample studies: noritic anorthosite. This flow law is highly non-Newtonian, i.e., the viscosity is highly stress dependent. That, and the variability with temperature, stands in strong contrast to previous examinations of lunar floor-fracture crater relaxation. To model discrete, brittle faulting, we assume "Byerlee's rule," a standard geodynamical technique. We implement this "rule" with an-angle of internal friction of about 40 deg, and a higher-than-normal cohesion of about 3.2 MPa (to approximate the breaking of unfractured rock). The actual behavior of geologic materials is more complex than in our rheological model, so the uncertainties in the plasticity do not represent the state-of-the-art error. Additional information is contained in the original.

Dombard, A. J.↗

Testing of Full Scale Flight Qualified Kevlar Composite Overwrapped Pressure Vessels

Many decades ago NASA identified a need for low-mass pressure vessels for carrying various fluids aboard rockets, spacecraft, and satellites. A pressure vessel design known as the composite overwrapped pressure vessel (COPV) was identified to provide a weight savings over traditional single-material pressure vessels typically made of metal and this technology has been in use for space flight applications since the 1970's. A typical vessel design consisted of a thin liner material, typically a metal, overwrapped with a continuous fiber yarn impregnated with epoxy. Most designs were such that the overwrapped fiber would carry a majority of load at normal operating pressures. The weight advantage for a COPV versus a traditional singlematerial pressure vessel contributed to widespread use of COPVs by NASA, the military, and industry. This technology is currently used for personal breathing supply storage, fuel storage for auto and mass transport vehicles and for various space flight and aircraft applications. The NASA Engineering and Safety Center (NESC) was recently asked to review the operation of Kevlar 2 and carbon COPVs to ensure they are safely operated on NASA space flight vehicles. A request was made to evaluate the life remaining on the Kevlar COPVs used on the Space Shuttle for helium and nitrogen storage. This paper provides a review of Kevlar COPV testing relevant to the NESC assessment. Also discussed are some key findings, observations, and recommendations that may be applicable to the COPV user community. Questions raised during the investigations have revealed the need for testing to better understand the stress rupture life and age life of COPVs. The focus of this paper is to describe burst testing of Kevlar COPVs that has been completed as a part of an the effort to evaluate the effects of ageing and shelf life on full scale COPVs. The test articles evaluated in this discussion had a diameter of 22 inches for S/N 014 and 40 inches for S/N 011. The time between manufacture and burst was 28 and 22 years. Visual inspection, shearography, heat soak thermography and borescope inspection were performed on vessel S/N 011 and all but shearography was performed on S/N 014 before they were tested and details of this work can be found in a companion paper titled, "Nondestructive Methods and Special Test Instrumentation Supporting NASA Composite Overwrapped Pressure Vessel Assessments." The vessels were instrumented so that measurements could be made to aid in the understanding of vessel response. Measurements made on the test articles included girth, boss displacement, internal volume, multiple point strain, full field strain, eddy current, acoustic emission (AE) pressure and temperature. The test article before and during burst is shown with the pattern used for digital image correlation full field strain measurement blurring as the vessel fails.

Greene, Nathanael↗

Modeling Deformable Linear Objects for Autonomous Robotic Outfitting of Lunar Surface Systems

This paper presents structural models of deformable linear objects (DLOs). DLOs are a subclass of deformable objects that encompasses common outfitting elements such as cables and ropes. Models are validated through hardware experiments, and integration in a robotic autonomy architecture for space environments is discussed. A persistent human presence on the lunar surface is one of the next major milestones in space exploration. This requires the development of robust extraplanetary construction technologies including structures and materials modeling and robotic systems. Previous robotic construction technology development has primarily focused on structural assembly, with significantly less focus on robotically performed outfitting tasks to instantiate subsystems providing power, data, life support, etc. These tasks involve manipulation of highly flexible elements, which are difficult to model, such as cable harnesses, ropes, and hoses. Robotic manipulation of DLOs, especially cable harnesses, is an active area of research as cable harnesses are essential for providing power and data to space assets. DLO models that can be used for robot manipulator trajectory generation are necessary for autonomous operation of lunar infrastructure. There are many proposed methods for modeling DLOs, and they primarily fall into three types: 1) discrete model-based, 2) continuum model-based, and 3) Neural Network-based. These types each have pros and cons, and the tradeoff between model accuracy and computational speed informs which type should be used. An understanding of this trade-off is imperative for real-time control of autonomous systems. High computational requirements reduce the speed of the model, making real-time control difficult, while accuracy is critical to preventing collisions. Discrete models, such as a mass-spring multibody representation, require relatively few calculations, and accuracy is directly tied to the step size of the discretization. Continuum models, such as a B-spline representation or a Cosserat rod model (a mix of continuous and discrete), are more informed of the structural properties of the cable and are much more accurate than a rigid body mass-spring model, but at significant computational cost. A Neural Network approach can provide an online solution with very few computational steps, but properly generating training data can be difficult and validation for an in-space application is not trivial. This paper explores the trade-off between different modeling approaches and compares accuracy and computational speed/complexity of the three types mentioned above. Model accuracy is evaluated using a cable in a static configuration. True cable shape is obtained using a depth camera for RGB images and point-cloud segmentation. The purpose of this experiment is to evaluate the trade-offs of different approaches to the DLO modeling problem. Understanding the tradeoffs between different cable modeling techniques paves the way for developing robotic control and planning architectures necessary for real-time manipulation of DLOs for lunar infrastructure outfitting. Real-time control is required for robotic systems to be able to actively manipulate a cable in a harsh environment where model and sensor errors compound, and environmental conditions can cause significant disturbances. Cable routing must be performed in areas with high density of objects/obstacles: through truss structures, near solar panels or mirror arrays, next to bundles of electrical equipment. Understanding the best way to plan and manipulate a cable without disrupting the environment or damaging the cable is imperative to robotic outfitting operations on the lunar surface.

Amy M Quartaro↗