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At least 991 records · Page 55

New sterically hindered polyvinylamine-containing membranes for CO 2 capture from flue gas

Amine-containing facilitated transport membranes can have both high permeability and selectivity due to the reversible reaction between CO 2 and amino groups for effective carbon capture from flue gas. In this study, we have developed an improved method for the synthesis of high-molecular-weight sterically hindered polyvinylamine (PVAm) as the new fixed-site carrier in thin-film composite membranes for CO 2 capture. Commercially available PVAm was N-monomethylated into poly-N-methyl-N-vinylamine (PVAm-CH 3 ) using the stepwise reductive amination with a highly polar fluorinated alcohol as the solvent to enhance the equilibrium shift to the formation of the imine intermediate. The method prevented over-alkylation, resulting in the increased yield of the target product. PVAm-CH 3 exhibited excellent CO 2 facilitation with a CO 2 permeability of 445.7 Barrer (1 Barrer = 3.349 x 10 –16 mol m m –2 s –1 Pa –1 ) and a CO 2 /N 2 selectivity of 70.3, which are above the Robeson 2008 upper bound. The PVAm-CH 3 solution retained a sufficiently high viscosity after incorporating the aminoacid salt, 2-(1-piperazinyl)ethylamine sarcosinate (PZEA-Sar), as the mobile carrier for the membrane coating on nanoporous polyethersulfone (PES) substrates without any penetration issues. The resultant thin-film composite PVAm-CH3/PZEA-Sar membrane with a thickness of approximately 170 nm exhibited a superior CO 2 performance of 1071 GPU (1 GPU = 3.349 x 10 –10 mol m –2 s –1 Pa –1 ) and a CO 2 /N 2 selectivity of 183 at 57°C and a feed gas pressure of 111.64 kPa (1.5 psig). This PVAm-CH 3 /PZEA-Sar membrane surpassed the latest redefined 2019 CO 2 /N 2 upper bound and outperformed other polymer-based membranes. Density functional theory calculations also demonstrated that PVAm-CH 3 showed a stronger preference, relative to PVAm, toward the more efficient bicarbonate pathway. Thus, the steric hindrance effect of PVAm-CH 3 enhanced the solubility of CO 2 in the polymer matrix and resulted in the higher CO 2 permeance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparing Sensor Fusion and Multimodal Chemometric Models for Monitoring U(VI) in Complex Environments Representative of Irradiated Nuclear Fuel

Optical sensors and chemometric models were leveraged for the quantification of uranium(VI) (0–100 μg mL –1 ), europium (0–150 μg mL –1 ), samarium (0–250 μg mL –1 ), praseodymium (0–350 μg mL –1 ), neodymium (0–1000 μg mL –1 ), and HNO 3 (2–4 M) with varying corrosion product (iron, nickel, and chromium) levels using laser fluorescence, Raman scattering, and ultraviolet–visible–near-infrared absorption spectra. In this paper, an efficient approach to developing and evaluating tens of thousands of partial least-squares regression (PLSR) models, built from fused optical spectra or multimodal acquisitions, is discussed. Each PLSR model was optimized with unique preprocessing combinations, and features were selected using genetic algorithm filters. The 7-factor D-optimal design training set contained just 55 samples to minimize the number of samples. The performance of PLSR models was evaluated by using an automated latent variable selection script. PLS1 regression models tailored to each species outperformed a global PLS2 model. PLS1 models built using fused spectra data and a multimodal (i.e., analyzed separately) approach yielded similar information, resulting in percent root-mean-square error of prediction values of 0.9–5.7% for the seven factors. Further, the optical techniques and data processing strategies established in this study allow for the direct analysis of numerous species without measuring luminescence lifetimes or relying on a standard addition approach, making it optimal for near-real-time, in situ measurements. Nuclear reactor modeling helped bound training set conditions and identified elemental ratios of lanthanide fission products to characterize the burnup of irradiated nuclear fuel. Leveraging fluorescence, spectrophotometry, experimental design, and chemometrics can enable the remote quantification and characterization of complex systems with numerous species, monitor system performance, help identify the source of materials, and enable rapid high-throughput experiments in a variety of industrial processes and fundamental studies.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

FRaZ: A Generic High-Fidelity Fixed-Ratio Lossy Compression Framework for Scientific Floating-point Data

With ever-increasing volumes of scientific floating-point data being produced by high-performance computing applications, significantly reducing scientific floating-point data size is critical, and error-controlled lossy compressors have been developed for years. None of the existing scientific floating-point lossy data compressors, however, support effective fixed-ratio lossy compression. Yet fixed-ratio lossy compression for scientific floating-point data not only compresses to the requested ratio but also respects a user-specified error bound with higher fidelity. In this paper, we present FRaZ: a generic fixed-ratio lossy compression framework respecting user-specified error constraints. The contribution is twofold. (1) We develop an efficient iterative approach to accurately determine the appropriate error settings for different lossy compressors based on target compression ratios. (2) We perform a thorough performance and accuracy evaluation for our proposed fixed-ratio compression framework with multiple state-of-the-art error-controlled lossy compressors, using several real-world scientific floating-point datasets from different domains. Experiments show that FRaZ effectively identifies the optimum error setting in the entire error setting space of any given lossy compressor. While fixed-ratio lossy compression is slower than fixed-error compression, it provides an important new lossy compression technique for users of very large scientific floating-point datasets.

Underwood, Robert↗

Optimizing Error-Bounded Lossy Compression for Scientific Data by Dynamic Spline Interpolation

Today's scientific simulations are producing vast volumes of data that cannot be stored and transferred efficiently because of limited storage capacity, parallel I/O bandwidth, and network bandwidth. The situation is getting worse over time because of the ever-increasing gap between relatively slow data transfer speed and fast-growing computation power in modern supercomputers. Error-bounded lossy compression is becoming one of the most critical techniques for resolving the big scientific data issue, in that it can significantly reduce the scientific data volume while guaranteeing that the reconstructed data is valid for users because of its compression-error-bounding feature. In this paper, we present a novel error-bounded lossy compressor based on a state-of-the-art prediction-based compression framework. Our solution exhibits substantially better compression quality than all of the existing error-bounded lossy compressors, with comparable compression speed. Specifically, our contribution is threefold. (1) We provide an in-depth analysis of why the best-existing prediction-based lossy compressor can only minimally improve the compression quality. (2) We propose a dynamic spline interpolation approach with a series of optimization strategies that can significantly improve the data prediction accuracy, substantially improving the compression quality in turn. (3) We perform a thorough evaluation using six real-world scientific simulation datasets across different science domains to evaluate our solution vs. all other related works. Experiments show that the compression ratio of our solution is higher than that of the second-best lossy compressor by 20%similar to 460% with the same error bound in most of the cases.

Zhao, Kai↗

Superfinished Surfaces for Power Transfer Systems Improvement

The continuous demands for high performance and lightweight power train systems resulted in requirements for higher power density gearing systems. However, increasing the load bearing capacity of the gear teeth, without increasing size, places stringent requirements upon metallurgy, dimensional control, and surface finish of the final products. In order to operate the mating parts near the upper bounds of their theoretical design envelope, manufacturing processes are required that are capable of improving the fatigue life and load bearing capacity of precision parts, while producing the required geometric accuracy. Results of the recent experimental studies indicate that the super finishing process is able to achieve these goals. This paper will review the results of our continuing evaluation of the super finish process as applied to aerospace gearing. Two separate evaluations were performed on gears to examine the effects of super finishing on resistance to both pitting and contact fatigue. For the reported experiments, both conventional and super finished test gears were simultaneously manufactured using the same process and the same heat lot of materials. This paper will also provide a brief description of the manufacturing technology used to achieve the results and will compare the results with other published data. In addition, this paper presents a couple of off-the-shelf manufacturing technologies that have been successfully used to super finish test specimens and will provide a glimpse of other emerging super finishing technologies. This is a US Army Manufacturing Technology project. The project was sponsored by the Aviation and Missiles Command (AMCOM) and was being managed and conducted by IIT Research Institute.

Niskanen, Paul↗

Structure of the thermal boundary layer in turbulent channel flows at transcritical conditions

Enhanced fluctuations, steep gradients, and intensified heat transfer are characteristics of wall-bounded turbulence at transcritical conditions. Although such conditions are prevalent in numerous technical applications, the structure of the thermal boundary layer under realistic density gradients and heating conditions remains poorly understood. Specifically, statistical descriptions of the temperature field in such flows are provided inconsistently using existing models. To address this issue, direct numerical simulations are performed by considering fully developed transcritical turbulent channel flow at pressure and temperature conditions that cause density changes of a factor of up to $O(20)$ between the hot and cold walls. As a consequence of the proximity of the Widom line to the hot wall, significant asymmetries are observed when comparing regions near the cold wall and near the hot wall. Previous transformations that attempt to collapse the near-wall mean temperature profiles among different cases to a single curve are examined. By addressing model deficiencies of these transformations, a formulation for an improved mean temperature transformation is proposed, with appropriate considerations for real fluid effects that involve strong variations in thermodynamic quantities. Our proposed transformation is shown to perform well in collapsing the slope of the logarithmic region to a single universal value with reduced uncertainty. Coupled with a predictive framework to estimate the non-universal shift parameter of the logarithmic region using a priori information, our transformation provides an analytic profile to model the near-wall mean temperature. These results thus provide a framework to guide the development of models for wall-bounded transcritical turbulence.

42 ENGINEERING↗

A Multi-Disciplinary Analysis Framework for the Design of Small Launch Vehicles

Between the years of 1995 and 2014 the number of small satellites (1-500 kg) went up from 20 to 180. [1] Out of the 180 launched in 2014 66% were Nano satellites (1-10 kg). [1] With this trend of smaller satellites, one would expect a rise in number of small launch vehicles (SLVs are defined by capability to carry 1-100 kg to orbit), but this has not happened: [3] only 8% of all small satellites are launched on SLVs and the others become secondary payloads on regular launch vehicles. [1] This results in small satellites being placed into either suboptimal orbits or waiting for launch schedules to align with bigger launches, resulting in long waiting times. Dedicated SLVs could improve the responsiveness of small satellite launches, but SLV design is complicated by the large architecture space needed to be explored in order to find efficient and affordable designs. The SLV architecture trade space contains many discrete options, e.g. solid vs. liquid fuels, air launch vs. ground launch, number of stages, etc. [2][3] Performing detailed analysis for all the options at once would be prohibitive. Thus, a sizing environment/framework that is capable of providing necessary information for conceptual-level trade studies and can rapidly explore the vast SLV architecture space is necessary. The framework, illustrated in Figure 1, consists of four disciplines central to the sizing and synthesis of launch vehicles: propulsion, aerodynamics, structures, and trajectory. For the aerodynamics and trajectory disciplines, Missile DATCOM and POST2 are used, respectively. The propulsion and structures disciplines are represented in the framework with tools developed at ASDL Georgia Tech. For propulsion, the Solid Motor Analysis Code (SMAC) is a physics-based conceptual design tool for solid rocket motors. SMAC is capable of geometric burn simulation, ballistic analysis, and prediction of thrust performance. [4] For structures, Launch Vehicle Structural Analysis (LVSA) tool is a physics-based tool that focuses on structural dynamic analysis with sizing capability. These tools are integrated into the framework illustrated in Figure 1 with the corresponding connections described in Table 1. The process flow is as follows: first, SMAC sizes insulation and calculates maximum operating pressures for each vehicle stage. The MEOP and insulation thickness values from SMAC are fed to LVSA which then utilizes this information to size the motor casing. This creates a feedback loop between LVSA and SMAC that converges on the radius available for fuel, casing, and insulation thickness. Once the stage sizing is converged on SMAC creates an engine deck that is passed to POST2. Next, the data from SMAC and LVSA goes into Missile DATCOM which generates an aerodynamics database for POST2. Finally, POST2 performs a targeting optimization while maximizing the payload mass to orbit. Within the framework, POST2 is automated in order to be robust to a wide variety of possible designs by performing a Monte Carlo simulation over the initialization vector of the POST2 optimization variables. To demonstrate the capability of this framework, a sample problem of exploring the design space of an SLV capable of placing satellites into a low Earth orbit (inclination=47 deg, 196.5 by 211.3 nm) is used. This sample problem is a ground-launched SLV consisting of four in-line SRM stages. The multidisciplinary design analysis (MDA) environment is utilized to explore a design space consisting of 22 continuous and 12 discrete variables, shown by Table 1 by blocks 1,2,3. Running a full factorial design of experiments (DOE) would have been prohibitively expensive even with this reduced design space, thus a space filling design with 3,502 and then additional expansion of 2,602 cases was used. The first DOE consisted of 3,502 cases, and all of the variables were varied. These input variables are listed in blocks 1, 2, and 3 in Table 1. Most of the variables are propulsion related with stage lengths determining the delta-V split of the SLV. The expansion consisted of 2,602 cases, and the continuous variables were set to be equal to the most promising designs from the sizing of first DOE. For each set of continuous variables, the discrete variables (grain type, star points, and propellant) were to varied. The results of the DOE can be seen in Figure 2; each of the points in this plot represents a closed launch vehicle that reaches the targeted orbit. For each of the cases, there is information on flown trajectory, structural, and propulsion properties of the SLV. For example, Figure 3 shows changes in altitude and velocity with time for a particular case. The right side of Figure 3 clearly shows the coasting (slow decrease) and burning phases (sharp increase) of the SLV mission. LV mass is positively correlated with the optimized payload mass to orbit because heavier LVs carry more fuel and thus have more stored chemical energy. Furthermore, for any given payload mass to orbit, the most efficient design would result in the smallest LV. The results as visualized in Figure 2 shows this tradeoff, and the Pareto frontier of the efficient designs can be seen along the dotted line. Figure 2 can be divided into regions with the lowest mass vehicles corresponding to the minimum bound on radius, and the highest mass vehicles corresponding to the maximum bound on radius. Within a mass region, the discrete variables, such as propellant type and propellant grain arrangement, have the most effect on payload mass. This paper presents an MDA framework that can perform an automated physics-based sizing of SLV designs and a corresponding methodology to utilize the MDA to explore the design space of SLVs. The proposed methodology was applied to a perform a design space exploration for a four stage SLV. The outputs show the expected pareto frontier forming and provide detailed information about the SLV performance and staging. Using the produced data, it will be possible to select a set of pareto optimal designs that can then be further explored in subsequent design cycles. This demonstration shows that automated design space exploration should be used in the early phase design of future SLV concepts.

Nikita S Birbasov↗

Field performance of switchgrass plants engineered for reduced recalcitrance

Switchgrass ( Panicum virgatum L.) is a promising perennial bioenergy crop that achieves high yields with relatively low nutrient and energy inputs. Modification of cell wall composition for reduced recalcitrance can lower the costs of deconstructing biomass to fermentable sugars and other intermediates. We have engineered overexpression of OsAT10 , encoding a rice BAHD acyltransferase and QsuB , encoding dehydroshikimate dehydratase from Corynebacterium glutamicum , to enhance saccharification efficiency in switchgrass. These engineering strategies demonstrated low lignin content, low ferulic acid esters, and increased saccharification yield during greenhouse studies in switchgrass and other plant species. In this work, transgenic switchgrass plants overexpressing either OsAT10 or QsuB were tested in the field in Davis, California, USA for three growing seasons. No significant differences in the content of lignin and cell wall-bound p -coumaric acid or ferulic acid were detected in transgenic OsAT10 lines compared with the untransformed Alamo control variety. However, the transgenic overexpressing QsuB lines had increased biomass yield and slightly increased biomass saccharification properties compared to the control plants. This work demonstrates good performance of engineered plants in the field, and also shows that the cell wall changes in the greenhouse were not replicated in the field, emphasizing the need to validate engineered plants under relevant field conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Intra-catalyst CH 4 oxidation pathways on a Pd/Al 2 O 3 /CeZrO x -based commercial catalyst and implications on NO x conversion profiles for a natural gas vehicle exhaust under lambda modulation

The performance of a three-way catalyst (TWC) in natural gas-powered vehicles is enhanced by periodic changes in air-to-fuel ratio (λ-modulation). The reaction networks and sequences inside the catalyst that facilitate such enhanced performance have not been extensively investigated. Here, this work applied intra-catalyst measurements (SpaciMS) to analyze the transient spatiotemporal gas concentrations inside a Pd-based TWC to establish relationships between CH 4 , NO x , CO and H 2 conversion pathways. Steam reforming and partial oxidation were revealed to be the main CH 4 conversion routes. The cyclic rich-lean conditions combined with the oxygen storage capacity (OSC) of the TWC generate reduced and oxidized zones that are constantly moving within the catalyst, changing the dominant chemical reactions occurring on the surface. In the reduced zones, OSC is depleted while CH 4 is converted through steam reforming and NO x is converted through reactions with H 2 , CO, and other surface-bound reducing fragments formed by CH 4 conversion. In the oxidized zones, OSC is replenished, CH 4 is converted by partial oxidation, and H 2 , CO, and NH 3 are oxidized. The length of lean-rich phases impacts the catalyst performance significantly; too short or too long of a rich or lean phase can lower the overall conversion of reactive species. An inhibition of CH 4 conversion was observed during the rich phase possibly due to CO-poisoning of active sites. The intra-catalyst measurements revealed that the catalyst consists of three distinct reaction zones and their lengths vary with modulation conditions. Various modulation frequencies, amplitudes, λ-centers, and temperatures were investigated which allowed an understanding of how these parameters affect the reaction zones and catalyst utilization. Understandings from this work can enable adaptive λ-control strategies to optimize the overall TWC performance over a range of vehicle operating conditions.

Lean-Rich cycling↗

Spatial variation of the low-temperature micro-photoluminescence of THM-grown CdZnTeSe

The quaternary compound CdZnTeSe (CZTS) has emerged as a next-generation detector material. Unlike CdZnTe (CZT), CZTS has the distinct advantages of little or no sub-grain boundary networks and a much lower concentration of Te inclusions, plus better compositional homogeneity. Thus, the material is expected to offer better spatial charge-transport homogeneity compared to CZT. However, an inhomogeneous distribution of point defects in both CZT and CZTS, such as Cd vacancies and residual impurities, can impose additional spatial inhomogeneity of the resistivity, carrier mobilities, and carrier lifetimes of the material. To investigate the spatial distribution of such defects in CZTS, low-temperature photoluminescence (PL) spectroscopic studies were performed at different positions along a single crystalline CZTS sample surface, which was grown by the traveling heater method (THM). In conclusion, the intensity variation of the PL emission of excitons bound to a neutral acceptor defect (A 0 , X), which is likely dominated by an acceptor like Cu-related level, with respect to the PL emission line from a neutral donor-bound exciton (D 0 , X) exhibited significant spatial variation, while the peak energy positions were approximately uniform due to the high compositional and bandgap homogeneity of the material.

II-VI semiconductor↗

Mechanistic Investigation of Dimethylmercury Formation Mediated by a Sulfide Mineral Surface

Mercury (Hg) pollution is a global environmental problem, but many key transformations among 29 various Hg species are not well understood. Although anaerobic microorganisms are the primary 30 producers of monomethylmercury (MMeHg), the abiotic formation of dimethylmercury (DMeHg) 31 from MMeHg have been suggested to account for a large portion of DMeHg in the ocean. It has 32 been shown that abiotic formation of DMeHg from MMeHg can be facilitated by reduced sulfur 33 groups on mineral surfaces. However, a detailed mechanistic understanding of this reaction is 34 lacking. Here we perform density functional theory (DFT) calculations to explore mechanisms of 35 DMeHg formation on the 110 surface of a CdS(s) (hawleyite) nanoparticle. We show that 36 coordination of MMeHg substituents to adjacent reduced sulfur groups protruding from the surface 37 facilitate DMeHg formation and that the reaction proceeds through direct transmethylation from 38 one MMeHg substituent to another. Solvation effects were found to play an important role in the 39 surface reconstruction of the nanoparticle and in decreasing the energetic barrier for DMeHg 40 formation. We also investigate DMeHg formation from MMeHg mediated by organic dithiols and 41 compare the results to those mediated by the mineral surface. In contrast to the surface reaction, 42 the calculations suggest that dithiol-mediated formation of DMeHg instead proceeds through a 43 mechanism in which Hg–Hg interactions activate a methyl group from one MMeHg substituent 44 for intramolecular transfer to the adjacent MMeHg substituent. These findings refine previously 45 proposed mechanisms of abiotic DMeHg formation and fill gaps in our understanding of global 46 Hg cycling in the environment.

Lian, Peng↗

New dark matter analysis of milky way dwarf satellite galaxies with madhatv2

We obtain bounds on dark matter annihilation using 14 years of publicly available Fermi-LAT data from a set of 54 dwarf spheroidal galaxies, using spectral information from 16 energy bins. We perform this analysis using our updated and publicly available code , which can be used to test a variety of models for dark matter particle physics and astrophysics in an accessible manner. In particular, we note that including Carina III in the analysis strengthens constraints on s -wave annihilation into two-body Standard Model final states by a factor of ∼ 3 but broadens the error on the constraint due to the large uncertainty of its J -factor. Our findings illustrate the importance of verifying if Carina III is in fact a dwarf spheroidal galaxy and measuring more precisely its J -factor. More generally, they highlight the significance of forthcoming discoveries of nearby ultrafaint dwarfs for dark matter indirect detection. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Flavor-violating Higgs and Z boson decays at a future circular lepton collider

Recent advances in b , c , and s quark tagging coupled with novel statistical analysis techniques will allow future high energy and high statistics electron-positron colliders, such as the FCC-ee, to place phenomenologically relevant bounds on flavor violating Higgs and Z decays to quarks. We assess the FCC-ee reach for Z / h → b s , c u decays as a function of jet tagging performance. We also update the standard model (SM) predictions for the corresponding branching ratios, as well as the indirect constraints on the flavor violating Higgs and Z couplings to quarks. Using the type III two Higgs doublet model as an example of beyond the standard model physics, we show that the searches for h → b s , c u decays at FCC-ee can probe new parameter space not excluded by indirect searches. We also reinterpret the FCC-ee reach for Z → b s , c u in terms of the constraints on models with vectorlike quarks. Published by the American Physical Society 2024

Kamenik, Jernej F. (ORCID:0000000151838637)↗

Linear retrieval and global measurements of wind speed from the Seasat SMMR

Retrievals of wind speed (WS) from Seasat Scanning Multichannel Microwave Radiometer (SMMR) were performed using a two-step statistical technique. Nine subsets of two to five SMMR channels were examined for wind speed retrieval. These subsets were derived by using a leaps and bound procedure based on the coefficient of determination selection criteria to a statistical data base of brightness temperatures and geophysical parameters. Analysis of Monsoon Experiment and ocean station PAPA data showed a strong correlation between sea surface temperature and water vapor. This relation was used in generating the statistical data base. Global maps of WS were produced for one and three month periods.

Pandey, P. C.↗

Improvement in Recursive Hierarchical Segmentation of Data

A further modification has been made in the algorithm and implementing software reported in Modified Recursive Hierarchical Segmentation of Data (GSC- 14681-1), NASA Tech Briefs, Vol. 30, No. 6 (June 2006), page 51. That software performs recursive hierarchical segmentation of data having spatial characteristics (e.g., spectral-image data). The output of a prior version of the software contained artifacts, including spurious segmentation-image regions bounded by processing-window edges. The modification for suppressing the artifacts, mentioned in the cited article, was addition of a subroutine that analyzes data in the vicinities of seams to find pairs of regions that tend to lie adjacent to each other on opposite sides of the seams. Within each such pair, pixels in one region that are more similar to pixels in the other region are reassigned to the other region. The present modification provides for a parameter ranging from 0 to 1 for controlling the relative priority of merges between spatially adjacent and spatially non-adjacent regions. At 1, spatially-adjacent-/spatially- non-adjacent-region merges have equal priority. At 0, only spatially-adjacent-region merges (no spectral clustering) are allowed. Between 0 and 1, spatially-adjacent- region merges have priority over spatially- non-adjacent ones.

Tilton, James C.↗

Extraction-Separation Performance and Dynamic Modeling of Orion Test Vehicles with Adams Simulation: 2nd Edition

NASA's Orion Capsule Parachute Assembly System (CPAS) project has advanced into the third generation of its parachute test campaign and requires technically comprehensive modeling capabilities to simulate multi-body dynamics (MBD) of test articles released from a C-17. Safely extracting a 30,000 lbm mated test article from a C-17 and performing stable mid-air separation maneuvers requires an understanding of the interaction between elements in the test configuration and how they are influenced by extraction parachute performance, aircraft dynamics, aerodynamics, separation dynamics, and kinetic energy experienced by the system. During the real-time extraction and deployment sequences, these influences can be highly unsteady and difficult to bound. An avionics logic window based on time, pitch, and pitch rate is used to account for these effects and target a favorable separation state in real time. The Adams simulation has been employed to fine-tune this window, as well as predict and reconstruct the coupled dynamics of the Parachute Test Vehicle (PTV) and Cradle Platform Separation System (CPSS) from aircraft extraction through the mid-air separation event. The test-technique for the extraction of CPAS test articles has evolved with increased complexity and requires new modeling concepts to ensure the test article is delivered to a stable test condition for the programmer phase. Prompted by unexpected dynamics and hardware malfunctions in drop tests, these modeling improvements provide a more accurate loads prediction by incorporating a spring-damper line-model derived from the material properties. The qualification phase of CPAS testing is on the horizon and modeling increasingly complex test-techniques with Adams is vital to successfully qualify the Orion parachute system for human spaceflight.

Fraire, Usbaldo, Jr.↗

Computational Design of Materials: Planetary Entry to Electric Aircraft and Beyond

NASA's projects and missions push the bounds of what is possible. To support the agency's work, materials development must stay on the cutting edge in order to keep pace. Today, researchers at NASA Ames Research Center perform multiscale modeling to aid the development of new materials and provide insight into existing ones. Multiscale modeling enables researchers to determine micro- and macroscale properties by connecting computational methods ranging from the atomic level (density functional theory, molecular dynamics) to the macroscale (finite element method). The output of one level is passed on as input to the next level, creating a powerful predictive model.

Materials Design↗

First Principles Modeling of the Thermal Amine Scrubber Flight Experiment’s Chemical Performance

The removal of atmospheric CO2 from a spacecraft is of particular importance to NASA’s mission, and is an area of continual study and technological advancement. One of the more recent advancements has been with reusable sorbents being regenerated with a combination of heat and vacuum. One such technology is the Thermal Amine Scrubber (TAS) flight experiment on the ISS, though several others are currently flying or preparing to fly. A model was created of the TAS to predict chemical performance, using fundamental chemistry and physics based on principles rather than empirical relations. Since the physical laws are true across all conditions, such a model enables greater model accuracy outside the bounds of test data, and allows for virtual testing of the hardware at conditions that are prohibitively difficult or expensive to actually test. This paper details the model’s development, operation, and correlation to data from the flight unit. The model is then compared to a data set taken from the flight unit under different flow, CO2 partial pressure, and bed configuration conditions, resulting in only a 2% error. The equations and principles laid forth in this paper are applicable to a wide range of thermally regenerated sorbents, and additional models of a similar nature would allow for potentially the most straightforward and direct method of comparison of technologies available to date.

CO2 removal↗