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At least 1,207 records · Page 67

Space Suit Portable Life Support System Thermal Control Valve Ball Design

A Thermal Control Valve (TCV) has been in development for the Exploration Extravehicular Mobility Unit Portable Life Support System (xEMU PLSS). The xEMU PLSS TCV controls flow going to the liquid cooling and ventilation garment that the crew member wears during extra-vehicular activity to expel waste heat. A previous TCV version with a linear actuator and diverter valve has been tested to attempt to control the flow accurately. The previous valve has a non-linear flow response relative to valve position and has struggled to meet the setpoints desired for precise thermal control. While many diverter valve design variations have been attempted, all previous designs have had difficulty meeting set points. Additionally, high precision machining is required to create a metal-on-metal seal which has its own drawbacks and does not always meet requirements for internal leakage. This metal seal also requires stalling a linear actuator to load the seal in compression or tension which has caused sticking failures when stalled. A new approach and design for a TCV has been developed which uses a rotational ball to control flow and has demonstrated a much more precise and linear flow control. The design functions like a two-way ball valve with two Teflon seats that cradle and compress the ball for sealing. The ball outlet has a unique geometric design to create a set-able orifice like hole which is more predictable at controlling flow. Additionally, the Teflon seat performs much better for preventing internal leakage than the metal seal and prevents sticking by having a large range in which it is sealed without having to stall the actuator. This paper will review a new proposed xEMU PLSS TCV ball design and compare it with previous iterations of the design.

Ryan Ogilvie↗

Combining four-point bending and corrosion to map stress-dependent corrosion susceptibility of 316H stainless steel in FLiNaK

Understanding the effect of stress on the corrosion of steels in molten salts is important for material screening and safety assessment of molten salt reactors. We present a method that combines four-point bending with corrosion testing, enabling the mapping of corrosion susceptibility as a function of local stress from a single specimen. Guided by finite element analysis, a four-point bending setup was used to bend a 316H stainless-steel bar under controlled elastic stress during a 100-hour exposure in FLiNaK at 700 °C. Post-exposure characterization using scanning electron microscopy and energy-dispersive X-ray spectroscopy revealed a pronounced correlation between stress and corrosion. Regions under tensile stress exhibited significantly deeper attack depths and greater chromium depletion along grain boundaries, whereas compressive zones showed shallower corrosion cracks. The stress effect is attributed to stress concentration under tensile loading, which promotes chromium dissolution and crack propagation. This technique can be readily applied to other structural alloys, enabling quantitative measurement of corrosion susceptibility as a function of local stress.

316H↗

GPU acceleration of rank-reduced coupled-cluster singles and doubles

Here, we have developed a graphical processing unit (GPU) accelerated implementation of our recently introduced rank-reduced coupled-cluster singles and doubles (RR-CCSD) method. RR-CCSD introduces a low-rank approximation of the doubles amplitudes. This is combined with a low-rank approximation of the electron repulsion integrals via Cholesky decomposition. The result of these two low-rank approximations is the replacement of the usual fourth-order CCSD tensors with products of second- and third-order tensors. In our implementation, only a single fourth-order tensor must be constructed as an intermediate during the solution of the amplitude equations. Owing in large part to the compression of the doubles amplitudes, the GPU-accelerated implementation shows excellent parallel efficiency (95% on eight GPUs). Our implementation can solve the RR-CCSD equations for up to 400 electrons and 1550 basis functions—roughly 50% larger than the largest canonical CCSD computations that have been performed on any hardware. In addition to increased scalability, the RR-CCSD computations are faster than the corresponding CCSD computations for all but the smallest molecules. We test the accuracy of RR-CCSD for a variety of chemical systems including up to 1000 basis functions and determine that accuracy to better than 0.1% error in the correlation energy can be achieved with roughly 95% compression of the ov space for the largest systems considered. We also demonstrate that conformational energies can be predicted to be within 0.1 kcal mol -1 with efficient compression applied to the wavefunction. Finally, we find that low-rank approximations of the CCSD doubles amplitudes used in the similarity transformation of the Hamiltonian prior to a conventional equation-of-motion CCSD computation will not introduce significant errors (on the order of a few hundredths of an electronvolt) into the resulting excitation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unitized Regenerative Fuel Cell System Dryer-Humidifier Analytical Model Development

A Unitized Regenerative Fuel Cell (URFC) Energy Storage System is being developed at the NASA Glenn Research Center. This URFC system is unique in that it uses regenerative gas dryers/humidifiers that are mounted on the surface of the gas storage tanks that act as the radiators for thermal control of the URFC system. As the gas storage tanks cool down during URFC charging the regenerative gas dryers/humidifiers dry the hydrogen and oxygen gases produced by electrolysis. As the gas storage tanks heat up during URFC discharging, the regenerative gas dryers/humidifiers humidify the hydrogen and oxygen gases used by fuel cell. An analytical model was developed to simulate the URFC system's regenerative gas dryers/humidifiers. The model is in the form of an EXCEL@ worksheet that allows the investigation of the regenerative gas dryers/humidifier performance as a function of time and position within the regenerative gas dryers/humidifiers, as well as other key system variables. Finite Element Analysis (FEA) modeling of the regenerative gas dryers/humidifier and gas storage tank wall was also done to analyze spatial temperature distribution within the regenerative gas dryers/humidifiers and the localized tank wall. Test results obtained from the testing of the regenerative gas dryers/humidifiers in a thermal vacuum environment were used to corroborate the analyses.

Burke, Kenneth A.↗

Experimental Study of Convective Heating on the Back Face and Payload of a Hypersonic Inflatable Aerodynamic Decelerator (HIAD) Aeroshell

A wind tunnel test program has been conducted to define convective heating environments on the back-face of a Hypersonic Inflatable Aerodynamic Decelerator aeroshell. Wind tunnel testing was conducted at Mach 6 and Mach 10 at unit Reynolds numbers from 0.5×10(exp 6)/ft to 3.9×10(exp 6)/ft on a 6.3088 in diameter aeroshell model. Global heating data were obtained through phosphor thermography on the aeroshell back face, as well as on the payload and the aeroshell front face. For all test conditions, laminar flow was produced on the aeroshell front face, while the separated wake shear layer and aeroshell back-face boundary layer were transitional or turbulent. Along the leeward centerline of the aeroshell back face and payload centerbody, heating levels increased with both free stream Reynolds number and angle of attack. The Reynolds number dependency was due to increasing strength of wake turbulence with Reynolds number. The angle-of-attack dependency was due to movement of the wake-vortex reattachment point on the aeroshell back face. The maximum heating levels on the aeroshell back face and payload were approximately 5% to 6%, respectively, of the aeroshell front-face stagnation point. To allow for extrapolation of the ground test data to flight conditions, the back face and payload heating levels were correlated as a function of aeroshell front-face peak momentum thickness Reynolds numbers.

Hollis, Brian R.↗

When Do Band Gap Calculations Agree with Experiments in Monolayer-Protected Cu 14 and Au 20 Atomically Precise Nanoclusters? A (TD)-DFT Comparison of HOMO–LUMO, Fundamental, Optical, and Electrochemical Energy Gaps

In view of the tremendous progress in atomically precise metal nanoclusters where electrochemical and optical energetics are routinely supported by computations to establish structure−function correlations, we explore the relationship between different protocols for measuring and computing band gaps of two distinct organic ligand-protected nanoclusters: [Cu 14 H 10 (MBN) 3 (PPh 3 ) 8 ] + and Au 20 (TBBT) 16 . Through UV/visible spectroscopy and differential pulse voltammetry, we measure optical and electrochemical band gaps in those systems. We then compare these experimentally determined gaps to HOMO−LUMO gaps, fundamental gaps, vertical excitation energies, and E o ox − E o red potentials computed using different density functional theory (DFT) or time-dependent DFT (TDDFT) methods. Specifically, in both copper and gold nanoclusters, we test the effect of truncating inert ligands from the model and compare density functionals with varying degrees of Hartree−Fock (HF) exchange from 0 to 50%, range-separated hybrids with a varying long-range tuning parameter, different correlation functionals, basis sets, and (equilibrium and nonequilibrium) continuum solvation models. Despite having different frontier orbital characters (the copper nanocluster has a metal-to-ligand charge transfer character while the gold nanocluster has metal-centered frontier orbitals), both nanoclusters display a similar sensitivity of the HOMO−LUMO gap to the HF exchange that is partially mitigated when computing the fundamental, optical, and electrochemical gaps. Other factors, such as the nature of the correlation functional, basis set, and geometry relaxation, have a considerably smaller effect on computed band gaps in these systems. Overall, this work provides guidelines for factors of varied importance for correlating computed and experimental band gap values.

Chemical calculations↗

Stable yet hydrophilic graphene oxide nanomembranes by zwitterionic reduction for dye desalination

Holey graphene oxide (HGO) nanosheets have emerged as a promising membrane platform for dye desalination, and they must be reduced to enhance hydrophobicity and stability for long-term underwater operation, which usually decreases water and salt permeance. Herein, we develop a facile method to stabilize HGO nanosheets while retaining their hydrophilicity by reducing them with sulfobetaine amine (SBAm, a superhydrophilic zwitterion), achieving high water and salt permeance and a high salt/dye separation factor. Specifically, HGO nanosheets react with SBAm via an amine-epoxide reaction, rendering reduced HGO nanosheets containing superhydrophilic zwitterions. The effects of in-plane pores, zwitterion content, and layer thickness on the membrane chemistry, structure, and salt/dye separation properties of the SBAm-reduced HGOs (SHGOs) are thoroughly examined. The membrane achieves a Na 2 SO 4 /Direct red separation factor of up to 850, surpassing the state-of-the-art GO membranes. Moreover, hollow fiber membrane modules based on SHGOs are fabricated and exhibit stable performance in multi-cycle tests over 100 h of operation with mixed dye-salt solutions, demonstrating the scalability of our approach and its potential for practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Chemical Control of Symmetry and Bandgap in Tungsten Oxyhalide van der Waals Semiconductors

Tunability in solid-state materials is essential for testing theory, discovering quantum phases, and enabling functionality. Layered van der Waals (vdW) semiconductors offer a unique platform, providing new degrees of freedom at the two-dimensional (2D) limit through exfoliation and external controls. Here, in this study, we demonstrate tunability of symmetry and electronic structure via halogen substitution in a family of layered vdW tungsten oxyhalides. Substituting the halogens in WO 2 X 2 (X = I, Br, Cl) tunes the bandgap across a broad energy range and modifies the structural symmetry from centrosymmetric to noncentrosymmetric. By alloying WO 2 I 2– y Br y , we continuously tune the polar distortion and optical gap across the visible range. These insights into halogen substitution effects on symmetry and electronic structure lay the foundation for new tunable vdW semiconductors for optoelectronics and nonlinear optics.

36 MATERIALS SCIENCE↗

Utilizing Testing Frameworks for Launch Control Systems Continuous Integration

Command and control software is an integral part of the launch procedure. The most important part of this type of software is its ability to communicate well with the user and relay information in a correctly formatted way such that the user can understand the data. There is a tool that aides the communication between the different parts of the system, and effectively, the user. This instrument is capable of taking several complex values and ensuring that they are correctly sorted into their distinctive message values and distributed properly among the different facets of the system. This tool will easily translate and publish the data inside of messages in the system to something that is readable and understandable. The tool also allows for transmission of the recorded data to the user, effectively ensuring the communication between different components of the system. As well as keeping track of messages and ensuring that the information contained within each of them reaches the correct location, this tool has the ability to keep track of its own statistics and determine how many messages passed in were erroneous and how many were successfully transmitted. It is able to check and see what the total message failure count is when an invalid message is given, as well as the number of different messages and their respective types passed into the tool. This tool is of great value to the new Space Launch System (SLS). As such, the tool must be thoroughly tested with test cases that, although improbable, are possible, where the tool may not function properly. Testing an interface this complex is necessary to ensure mission safety and create unlikely scenarios where the tool would work as intended, and stretch its limits to test that even under the most uncommon conditions it would still continue to function. This software will be an important part of the control system for the newest spacecraft which will fly deeper into space than humans have ever travelled. It will fly beyond the moon, into deep space to Mars and perhaps set the groundwork for a manned mission even further to create more opportunities for interplanetary and even interstellar travel by humans. This mission relies heavily on software and hardware to ensure the safety of the humans that will be on board and therefore must be checked, exhausting each and every different situation, such that there is not a doubt surrounding the well-being of the humans aboard the rocket. That is why testing is such an important part of the mission. It provides evidence that the systems aboard the rocket and on the launch pad are safe.

Unit Testing↗

Sierra/SD – Verification Test Manual – 5.22

Verification and validation (V&V) of scientific computing programs are important at Sandia National Labs due to the expanding role of computational simulation in managing the United States nuclear stockpile. The complexities of structural response calculations used to analyze physical problems, the varieties of codes applied to the calculations, and the importance of accurate predictions when assessing field conditions demand confidence in the consistency and accuracy of computer codes. Confidence in the accuracy of the predictions arising from computer simulations must ultimately be gained through verification and validation. The Sierra salinas structural dynamics analysis code, Sierra/SD, is used at the DOE Laboratories, and in several DOD projects. The roles of Sierra/SD in the qualification of weapon systems and components for normal and hostile environments throughout the Stockpile-to-Target Sequence include to, • Redesign weapon components. • Certify weapon components and systems for target environments such as hypersonic vehicles. • Certify that components will survive the thermal mechanical shock loads associated with hostile environments. • Evaluate current stockpile issues, including issues associated with uncertainty quantification. • Address many other problems that are encountered in stockpile management. The Sierra/SD verification plan is described, and an evolving set of key verification tests are described in detail. The verification tests ensure the correctness of the mathematics and numerical algorithms associated with functionality describing engineering phenomena. Development is in accordance with a set of tailored Software Quality Engineering (SQE) practices. SQE practices guide the overall verification and validation effort.

97 MATHEMATICS AND COMPUTING↗

Quantum calculations of the cavity shift in electron magnetic moment measurements

The measurement of the anomalous electron magnetic moment g – 2 through quantum transitions of a single trapped electron is the most stringent test of quantum field theory. These experiments are now so precise that they must account for the effects of the cavity containing the electron. Classical calculations of this “cavity shift” must subtract the electron’s divergent self-field, and thus require knowledge of the exact Green’s function for the cavity’s electromagnetic field. We perform the first fully quantum calculation of the cavity shift in a closed cavity, which instead involves subtracting linearly divergent cavity mode sums and integrals. Using contour integration methods, we find perfect agreement with existing classical results for both spherical and cylindrical cavities, justifying their current use. Moreover, our mode-based results can be naturally generalized to account for systematic effects, necessary to push future measurements to the next order of magnitude in precision.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Isotopic discrepancy in microscopic fusion of 16 O + 40,48 Ca

We present a detailed comparison of fusion in 16 O + 40,48 Ca within a fully microscopic time-dependent Hartree-Fock framework over sub-, near-, and above-barrier energies. While 16 O + 40 Ca fusion cross sections are reproduced within the available experimental energy range, calculations for the neutron-rich 16 O + 48 Ca system systematically overestimate the measured near-barrier cross sections. The discrepancy persists across the tested energy density functionals, indicating that it is not tied to a particular parametrization. Analysis of the dynamical interaction potentials reveals an outward shift and softening of the barrier region at the lowest collision energies. These results are then compared to a frozen density description where the barrier modifications are absent and the predicted cross sections are brought closer to experiment. Here, this demonstrates that the observed discrepancy is closely linked to dynamical surface rearrangement and isovector effects, and highlights the sensitivity of low-energy fusion to both the structure and dynamics of neutron-rich nuclei. This suggests that limitations in the isovector sector of conventional Skyrme EDFs in describing the structure of 48 Ca, as highlighted by CREX, are also manifested in the fusion dynamics of the 16 O + 48 Ca system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A new method for measuring refractory corrosion of ceramics in glass

Abstract Nuclear waste glass vitrification furnaces are lined with refractory ceramic blocks to contain the molten glass. The refractory liner is susceptible to corrosion and has a finite service lifetime. For this reason, predicting the refractory corrosion in contact with molten glass is integral to estimating melter service lifetime. Standardized laboratory tests varying time and temperature are commonly performed to estimate refractory material loss as a function of glass composition. These data are time and resource‐intensive to collect and are susceptible to considerable measurement error. In order to accelerate glass formulation and design for nuclear waste vitrification, methods are needed to increase laboratory‐scale throughput while maintaining data quality. In this work, a method to remove the residual glass from a corroded coupon using hydrofluoric acid is presented that accelerates the throughput of sample analysis while simultaneously facilitating more accurate measurements.

Amoroso, Jake W. [Savannah River National Laborato↗

Extraction and Separation Modeling of Orion Test Vehicles with ADAMS Simulation

The Capsule Parachute Assembly System (CPAS) project has increased efforts to demonstrate the performance of fully integrated parachute systems at both higher dynamic pressures and in the presence of wake fields using a Parachute Compartment Drop Test Vehicle (PCDTV) and a Parachute Test Vehicle (PTV), respectively. Modeling the extraction and separation events has proven challenging and an understanding of the physics is required to reduce the risk of separation malfunctions. The need for extraction and separation modeling is critical to a successful CPAS test campaign. Current PTV-alone simulations, such as Decelerator System Simulation (DSS), require accurate initial conditions (ICs) drawn from a separation model. Automatic Dynamic Analysis of Mechanical Systems (ADAMS), a Commercial off the Shelf (COTS) tool, was employed to provide insight into the multi-body six degree of freedom (DOF) interaction between parachute test hardware and external and internal forces. Components of the model include a composite extraction parachute, primary vehicle (PTV or PCDTV), platform cradle, a release mechanism, aircraft ramp, and a programmer parachute with attach points. Independent aerodynamic forces were applied to the mated test vehicle/platform cradle and the separated test vehicle and platform cradle. The aero coefficients were determined from real time lookup tables which were functions of both angle of attack ( ) and sideslip ( ). The atmospheric properties were also determined from a real time lookup table characteristic of the Yuma Proving Grounds (YPG) atmosphere relative to the planned test month. Representative geometries were constructed in ADAMS with measured mass properties generated for each independent vehicle. Derived smart separation parameters were included in ADAMS as sensors with defined pitch and pitch rate criteria used to refine inputs to analogous avionics systems for optimal separation conditions. Key design variables were dispersed in a Monte Carlo analysis to provide the maximum expected range of the state variables at programmer deployment to be used as ICs in DSS. Extensive comparisons were made with Decelerator System Simulation Application (DSSA) to validate the mated portion of the ADAMS extraction trajectory. Results of the comparisons improved the fidelity of ADAMS with a ramp pitch profile update from DSSA. Post-test reconstructions resulted in improvements to extraction parachute drag area knock-down factors, extraction line modeling, and the inclusion of ball-to-socket attachments used as a release mechanism on the PTV. Modeling of two Extraction parachutes was based on United States Air Force (USAF) tow test data and integrated into ADAMS for nominal and Monte Carlo trajectory assessments. Video overlay of ADAMS animations and actual C-12 chase plane test videos supported analysis and observation efforts of extraction and separation events. The COTS ADAMS simulation has been integrated with NASA based simulations to provide complete end to end trajectories with a focus on the extraction, separation, and programmer deployment sequence. The flexibility of modifying ADAMS inputs has proven useful for sensitivity studies and extraction/separation modeling efforts. 1

Fraire, Usbaldo, Jr.↗

Cr is not an acceptor in 𝛽⁢−G⁢a 2 ⁢O 3

The intensity of red C⁢r 3+ photoluminescence (PL) in monoclinic gallium oxide (𝛽⁢−G⁢a 2 ⁢O 3 ) is suppressed by 𝑛-type conductivity, an effect that has been attributed to a Cr deep acceptor level in the bandgap. In 𝑛-type material, such an acceptor level would be occupied, resulting in the C⁢r 2+ oxidation state and the absence of C⁢r 3+ PL. To test this model, 𝑛-type 𝛽⁢−G⁢a 2 ⁢O 3 crystals co-doped with Cr and Zr (a donor) were grown from the melt. The samples show C⁢r 3+ optical absorption bands and a high free-electron concentration of 4 × 10 18 c⁢m −3 . If Cr were an acceptor, then it would be fully compensated and therefore would not exhibit the C⁢r 3+ optical signature. Hybrid functional calculations indicate that Cr occupies the substitutional octahedral Ga(II) site and that the C⁢r 2+ state is energetically unfavorable, i.e., Cr is not an acceptor. Weak C⁢r 3+ PL was observed in the Cr/Zr co-doped samples. In conclusion, the quenching of PL may be caused by a transfer of energy to free electrons, a nonradiative process that would reduce the emission intensity.

carrier generation & recombination↗

Denoising Seismic Waveforms Using a Wavelet-Transform-Based Machine-Learning Method

Seismic waveform data recorded at stations can be thought of as a superposition of the signal from a source of interest and noise from other sources. Frequency‐based filtering methods for waveform denoising do not result in desired outcomes when the targeted signal and noise occupy similar frequency bands. Recently, denoising techniques based on deep‐learning convolutional neural networks (CNNs), in which a recorded waveform is decomposed into signal and noise components, have led to improved results. These CNN methods, which use short‐time Fourier transform representations of the time series, provide signal and noise masks for the input waveform. These masks are used to create denoised signal and designaled noise waveforms, respectively. However, advancements in the field of image denoising have shown the benefits of incorporating discrete wavelet transforms (DWTs) into CNN architectures to create multilevel wavelet CNN (MWCNN) models. The MWCNN model preserves the details of the input due to the good time–frequency localization of the DWT. In this report we use a data set of over 382,000 constructed seismograms recorded by the University of Utah Seismograph Stations network to compare the performance of CNN and MWCNN‐based denoising models. Evaluation of both models on constructed test data shows that the MWCNN model outperforms the CNN model in the ability to recover the ground‐truth signal component in terms of both waveform similarity and preservation of amplitude information. Model evaluation of real‐world data shows that both the CNN and MWCNN models outperform standard band‐pass filtering (BPF; average improvement in signal‐to‐noise ratio of 9.6 and 19.7 dB, respectively, with respect to BPF). Evaluation of continuous data suggests the MWCNN denoiser can improve both signal detection capabilities and phase arrival time estimates.

58 GEOSCIENCES↗

Spacecraft thermal blanket cleaning: Vacuum bake of gaseous flow purging

The mass losses and the outgassing rates per unit area of three thermal blankets consisting of various combinations of Mylar and Kapton, with interposed Dacron nets, were measured with a microbalance using two methods. The blankets at 25 deg C were either outgassed in vacuum for 20 hours, or were purged with a dry nitrogen flow of 3 cu. ft. per hour at 25 deg C for 20 hours. The two methods were compared for their effectiveness in cleaning the blankets for their use in space applications. The measurements were carried out using blanket strips and rolled-up blanket samples fitting the microbalance cylindrical plenum. Also, temperature scanning tests were carried out to indicate the optimum temperature for purging and vacuum cleaning. The data indicate that the purging for 20 hours with the above N2 flow can accomplish the same level of cleaning provided by the vacuum with the blankets at 25 deg C for 20 hours, In both cases, the rate of outgassing after 20 hours is reduced by 3 orders of magnitude, and the weight losses are in the range of 10E-4 gr/sq cm. Equivalent mass loss time constants, regained mass in air as a function of time, and other parameters were obtained for those blankets.

Scialdone, John J.↗

Spacecraft thermal blanket cleaning - Vacuum baking or gaseous flow purging

The mass losses and the outgassing rates per unit area of three thermal blankets consisting of various combinations of Mylar and Kapton, with interposed Dacron nets, were measured with a microbalance using two methods. The blankets at 25 deg C were either outgassed in vacuum for 20 hours, or were purged with a dry nitrogen flow of 3 cu. ft. per hour at 25 deg C for 20 hours. The two methods were compared for their effectiveness in cleaning the blankets for their use in space applications. The measurements were carried out using blanket strips and rolled-up blanket samples fitting the microbalance cylindrical plenum. Also, temperature scanning tests were carried out to indicate the optimum temperature for purging and vacuum cleaning. The data indicate that the purging for 20 hours with the above N2 flow can accomplish the same level of cleaning provided by the vacuum with the blankets at 25 deg C for 20 hours. In both cases, the rate of outgassing after 20 hours is reduced by 3 orders of magnitude, and the weight losses are in the range of 10E-4 gr/sq cm. Equivalent mass loss time constants, regained mass in air as a function of time, and other parameters were obtained for those blankets.

Scialdone, John J.↗