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NASA NTRS1975

Solar and galactic cosmic ray abundances - A comparison and some comments

We have compared the abundances of galactic cosmic rays at their source and solar cosmic-rays utilizing new data which includes the first determination of the abundances of Na and Al in the solar cosmic ray population. We find the relative abundances of the solar and galactic species to be identical within experimental error for 8 elements. One clear abundance difference exists for C. He and Fe have a variable solar cosmic ray abundance, and the unbiased abundance of both of these nuclei is also probably different than that in the galactic cosmic ray sources. We also have compared the cosmic ray abundances with solar system and solar atmospheric abundance determinations. We find an abundance ratio which depends on the first ionization potential for galactic cosmic rays; however, in addition, we find this same dependence on ionization potential for solar cosmic ray abundance ratios. The implications of this result are discussed.

Webber, W. R.↗

NASA NTRS1977

Vibrational and rotational transitions in low-energy electron-diatomic-molecule collisions. I - Close-coupling theory in the moving body-fixed frame. II - Hybrid theory and close-coupling theory: An /l subscript z-prime/-conserving close-coupling approximation

A detailed vibrational-rotational (V-R) close-coupling formulation of electron-diatomic-molecule scattering is developed in which the target molecular axis is chosen to be the z-axis and the resulting coupled differential equation is solved in the moving body-fixed frame throughout the entire interaction region. The coupled differential equation and asymptotic boundary conditions in the body-fixed frame are given for each parity, and procedures are outlined for evaluating V-R transition cross sections on the basis of the body-fixed transition and reactance matrix elements. Conditions are discussed for obtaining identical results from the space-fixed and body-fixed formulations in the case where a finite truncated basis set is used. The hybrid theory of Chandra and Temkin (1976) is then reformulated, relevant expressions and formulas for the simultaneous V-R transitions of the hybrid theory are obtained in the same forms as those of the V-R close-coupling theory, and distorted-wave Born-approximation expressions for the cross sections of the hybrid theory are presented. A close-coupling approximation that conserves the internuclear axis component of the incident electronic angular momentum (l subscript z-prime) is derived from the V-R close-coupling formulation in the moving body-fixed frame.

Choi, B. H.↗

NASA NTRS1981

Generic model of a large flexible space structure for control concept evaluation

The objective of the paper is to propose a generic model on the shape and attitude control of a representative space structure. Reduction of the finite element model is based on modal identities and modal cost analysis. The model may help to: (a) suggest improved methods for designing reduced order controllers for large elastic spacecraft, (b) enhance coherence between the frequency-response and time-response multivariable applications, (c) examine computational efficiency of the multivariable control algorithms, and (d) suggest other desirable theoretical and numerical research areas.

Hablani, H. B.↗

NASA NTRS2018

Nucleosynthetic Heterogeneity Controls Vanadium Isotope Variations in Bulk Chondrites

The vanadium (V) isotope composition of early solar system materials have been hypothesized to be sensitive to high energy irradiation that originated from the young Sun. Vanadium has two isotopes with masses 50 and 51 that have (51)V/(50)V ratio of approximately 410. High energy irradiation produces (50)V from various target isotopes of Ti, Cr and Fe, which would result in light V isotope compositions (expressed as delta (51)V in per mille = 1000 x (((51)V/(50)V(sub sample)/(51)V/(50)V(sub AlfaAesar)) - 1)) relative to a presumably chondritic starting composition. Recently published V isotope data for calcium aluminium inclusions (CAIs) has revealed some very negative values relative to chondrites (by almost -4 per mille) that were indeed interpreted to reflect irradiation processes despite the fact that the studied CAIs all exhibited significant initial abundances of (10)Be, while only a few CAIs displayed light V isotope compositions. It is difficult to relate V isotope variations directly to a singular process because V only possesses two isotopes. Therefore, V isotope variations can principally be produced both mass dependent and independent processes. Mass dependent kinetic stable isotope fractionation is common in CAIs for refractory elements due to partial condensation/evaporation processes. The element strontium (Sr) has an almost identical condensation temperature to V and studies of stable Sr isotope compositions in CAIs reveal both heavy and light values relative to chondrites of several permil. These variations are similar in magnitude to those reported for V isotopes in CAIs, which suggests it is possible that some of the V isotope variation in CAIs could be due to kinetic stable isotope fractionation during condensation/evaporation processes.

Nielsen, S. G.↗

NASA NTRS1987

A microstructural lattice model for strain oriented problems: A combined Monte Carlo finite element technique

A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, was developed which simulates microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. In this approach, the microstructure is discretized onto a fine lattice. Each element in the lattice is labelled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis was validated by comparing this approach with a closed form, analytical method for stress assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analytical for multiparticle problems were also run and in general the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperature.

Gayda, J.↗

NASA NTRS1984

Efficient linear and nonlinear heat conduction with a quadrilateral element

A method is presented for performing efficient and stable finite element calculations of heat conduction with quadrilaterals using one-point quadrature. The stability in space is obtained by using a stabilization matrix which is orthogonal to all linear fields and its magnitude is determined by a stabilization parameter. It is shown that the accuracy is almost independent of the value of the stabilization parameter over a wide range of values; in fact, the values 3, 2 and 1 for the normalized stabilization parameter lead to the 5-point finite difference, 9-point finite difference and fully integrated finite element operators, respectively, for rectangular meshes; numerical experiments reported here show that the three have identical rates of convergence in the L2 norm. Eigenvalues of the element matrices, which are needed for stability limits, are also given. Numerical applications are used to show that the method yields accurate solutions with large increases in efficiency, particularly in nonlinear problems.

Liu, W. K.↗

NASA NTRS2003

Developmental gene regulatory network architecture across 500 million years of echinoderm evolution

Evolutionary change in morphological features must depend on architectural reorganization of developmental gene regulatory networks (GRNs), just as true conservation of morphological features must imply retention of ancestral developmental GRN features. Key elements of the provisional GRN for embryonic endomesoderm development in the sea urchin are here compared with those operating in embryos of a distantly related echinoderm, a starfish. These animals diverged from their common ancestor 520-480 million years ago. Their endomesodermal fate maps are similar, except that sea urchins generate a skeletogenic cell lineage that produces a prominent skeleton lacking entirely in starfish larvae. A relevant set of regulatory genes was isolated from the starfish Asterina miniata, their expression patterns determined, and effects on the other genes of perturbing the expression of each were demonstrated. A three-gene feedback loop that is a fundamental feature of the sea urchin GRN for endoderm specification is found in almost identical form in the starfish: a detailed element of GRN architecture has been retained since the Cambrian Period in both echinoderm lineages. The significance of this retention is highlighted by the observation of numerous specific differences in the GRN connections as well. A regulatory gene used to drive skeletogenesis in the sea urchin is used entirely differently in the starfish, where it responds to endomesodermal inputs that do not affect it in the sea urchin embryo. Evolutionary changes in the GRNs since divergence are limited sharply to certain cis-regulatory elements, whereas others have persisted unaltered.

NASA Program Fundamental Space Biology↗

DOE OSTI2022

Joint neutron/molecular dynamics vibrational spectroscopy reveals softening of HIV-1 protease upon binding of a tight inhibitor

Biomacromolecules are inherently dynamic, and their dynamics are interwoven into function. The fast collective vibrational dynamics in proteins occurs in the low picosecond timescale corresponding to frequencies of ~5-50 cm -1 . This sub-to-low THz frequency regime covers the low-amplitude collective breathing motions of a whole protein and vibrations of the constituent secondary structure elements, such as α-helices, β-sheets and loops. We have used inelastic neutron scattering experiments in combination with molecular dynamics simulations to demonstrate the vibrational dynamics softening of HIV-1 protease, a target of HIV/AIDS antivirals, upon binding of a tight clinical inhibitor darunavir. Changes in the vibrational density of states of matching structural elements in the two monomers of the homodimeric protein are not identical, indicating asymmetric effect of darunavir on the vibrational dynamics. Three of the 11 major secondary structure elements contribute over 40% to the overall changes in the vibrational density of states upon darunavir binding. Molecular dynamics simulations informed by experiments allowed us to estimate that the altered vibrational dynamics of the protease would contribute -3.6 kcal/mol -1 at 300 K, or 25%, to the free energy of darunavir binding. As HIV-1 protease drug resistance remains a concern, our results open a new avenue to help establish a direct quantitative link between protein vibrational dynamics and drug resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Development of a separation method for rare earth elements using LN resin

The lanthanide elements and isotopes are analytes of significant interest for several nuclear-related fields. Chemical separation among these elements is uniquely challenging due to their nearly identical chemical properties. This difficulty in interelement separation can create obstacles for quantitative radiometric analysis, specifically for isotopes without distinct energy emissions easily measured by gamma spectroscopy, for example Tb-161. Presented in this work is an optimized method for the isolation of individual rare earth elements using Eichrom’s LN resin.

Arrigo, Leah M.↗

NASA NTRSDate not supplied

Aeroheating Testing of the Mars Sample Return Earth Entry System with Surface Roughness

The Mars Sample Return Earth Entry System is a mission concept which would be the first NASA entry vehicle to utilize a woven thermal protection system as well as a 52.5 degree sphere-cone forebody geometry. Due to its novel design, historic experimental data sets were insufficient to validate the models used to characterize the expected aerothermal environment. A wind tunnel test campaign was funded by the Mars Sample Return Earth Entry System project in the NASA Langley 20-Inch Mach 6 Air Tunnel in order to obtain validation data. The December 2023 test entry of this campaign sought to obtain thermographic data to capture the impact of supersonic flow near woven surface roughness elements on convective heating augmentation, which was the largest remaining uncertainty in aerothermal design of the Earth Entry System. Data obtained were in family with prior results obtained on identical woven patterns without supersonic flow present at roughness elements, and it was found that this presence of supersonic flow did not have a noticeable effect on surface convective heating augmentation. Data were directly leveraged to support the NASA Mars Sample Return flight program and this data set is valuable for validating computational solutions on roughness-resolved grids.

Mars Sample Return↗

NASA NTRSDate not supplied

Aeroheating Testing of the Mars Sample Return Earth Entry System with Surface Roughness

Mars Sample Return↗

DOE OSTI2024

Chelator‐Assisted Precipitation‐Based Separation of the Rare Earth Elements Neodymium and Dysprosium from Aqueous Solutions

The rare earth elements (REEs) are critical resources for many clean energy technologies, but are difficult to obtain in their elementally pure forms because of their nearly identical chemical properties. Here, an analogue of macropa, G-macropa, was synthesized and employed for an aqueous precipitation-based separation of Nd 3+ and Dy 3+ . G-macropa maintains the same thermodynamic preference for the large REEs as macropa, but shows smaller thermodynamic stability constants. Molecular dynamics studies demonstrate that the binding affinity differences of these chelators for Nd 3+ and Dy 3+ is a consequence of the presence or absence of an inner-sphere water molecule, which alters the donor strength of the macrocyclic ethers. Leveraging the small REE affinity of G-macropa, we demonstrate that within aqueous solutions of Nd 3+ , Dy 3+ , and G-macropa, the addition of HCO 3 − selectively precipitates Dy 2 (CO 3 ) 3 , leaving the Nd 3+ −G-macropa complex in solution. With this method, remarkably high separation factors of 841 and 741 are achieved for 50 : 50 and 75 : 25 mixtures. Further studies involving Nd 3+ :Dy 3+ ratios of 95 : 5 in authentic magnet waste also afford an efficient separation as well. Finally, G-macropa is recovered via crystallization with HCl and used for subsequent extractions, demonstrating its good recyclability.

Gao, Yangyang↗

DOE OSTI2025

Evaluation of New Additions to OLI Software in Predicting Mercuric and Mercurous Species in Liquid Waste Operations

Speciation of mercury during the pretreatment steps of tank waste processing is critical to successful mercury removal prior to vitrification during Liquid Waste Operations (LWO) at SRS. OLI software has been used to predict mercury speciation and activity throughout LWO. The OLI software operates based on a thermodynamic framework called the Mixed Solvent Electrolyte (MSE) framework. The MSE framework allows prediction in theoretically infinitely dilute to concentrated mixtures (e.g., purely solute solutions). Before modification to the MSE framework databanks, certain critical mercury species were missing in the MSE databank, and some thermodynamic data needed to be updated for the OLI software to accurately predict mercury chemical species in SRS waste tanks. To better reflect streams across LWO, new mercury species were integrated into the MSE database. To evaluate the changes to the OLI MSE framework per the Technical Task Request (TTR) and the Task Technical and Quality Assurance Plan (TTQAP), waste stream compositions from Tanks 38, 43, and Tank 50 decontaminated salt solution (DSS) were used as model inputs. Models were developed and executed using both the old and new databases. Compositional analyses from caustic Tank 50 DSS and caustic Tanks 38 and 43 were used as the input streams. These streams represent the most comprehensive chemical data sets where both mercury and tank constituents were measured together. Results for Tank 50 DSS predict HgO as the predominant species in both databases. Both methyl and dimethyl Hg species are present when the new database is ‘on’ and are not predicted with the new database turned ‘off’. The new database predicts a greater amount of HgO and a greater fraction of it in the solid phase. Pourbaix diagrams (potential vs. pH) generated for each Tank 50 DSS were identical regardless of which database was used. Elemental Hg and HgO were predicted in the water stable region under basic conditions. Tanks 38 and 43 follow similar trends as the Tank 50 DSS models. Unlike Tanks 38 and 50 DSS, the Tank 43 Pourbaix plot shows a region of stability for an aqueous HgOHCO3 - species between approximately pH 7-11. In all streams, when MeHg+ is included in the inputs, the new database predicts aqueous MeHgOH as the dominant species. If elemental or dimethyl mercury is in the waste stream, the new database model predicts they are unchanged and remain in those states and quantities. Additionally, the total mercury values are reported for both the measured input data and the OLI output data for all considered tanks. The summary indicates that the percentage error between the measured and calculated values is less than 1% in all cases The reconciliations and generation of the Pourbaix diagrams for Tank 50 DSS took approximately ten times longer with the new database ‘on’. In addition, over the course of that time, models with the new database ‘on’ were more likely to crash or display an error. Some modest performance improvements were noted when modeling with an i7 processor versus an i5. An example error is found in Appendix A. Furthermore, Appendix B provides V&V for two chemical systems analyzed with the OLI software, results were satisfactory. It is recommended to utilize the new databases (i.e., HCO.ddb and SR-Hg.ddb) in future Savannah River Mission Completion applications of OLI to represent pseudo steady-state. Furthermore, the integration and utilization of the new databases (i.e., HCO.ddb and SR-Hg.ddb) in modeling applications (e.g., Aspen) is also recommended.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1981

Deposit formation in liquid fuels. II - The effect of selected compounds on the storage stability of Jet A turbine fuel

The influence of substituted pyridines, pyrroles, indoles, and quinolines on the storage stability of conventional Jet A turbine fuel is evaluated. Significant increases in the amount of deposit formed in accelerated storage tests are found upon addition of these compounds at levels as low as one ppm nitrogen. While the effect is correlated with basicity of the nitrogen compound within a given compound class, the correlation does not hold between classes (pyridines, quinolines, etc.). Steric hindrance at the nitrogen atom greatly inhibits deposit promotion. The characteristics, but not the elemental composition, of deposits vary with the identity of the added nitrogen compound and with deposition temperature.

Worstell, J. H.↗

NASA NTRS1990

Equivalence of physically based statistical fracture theories for reliability analysis of ceramics in multiaxial loading

The present comparison of the Batdorf (1974) flaw density and orientation distribution approach with Evans' (1978) elemental strength approach, with a view to identities in fracture criteria and distribution functions, notes that despite their fundamental differences in multiaxial loading fracture probabilities, the two approaches yield identical predictions. Lamon's (1988) assertion to the contrary, in light of different theoretical predictions by the two methods for the case of alumina disks loaded in flexure, is demonstrated to be in error.

Chao, Luen-Yuan↗

NASA NTRS1999

Parallelization of the Physical-Space Statistical Analysis System (PSAS)

Atmospheric data assimilation is a method of combining observations with model forecasts to produce a more accurate description of the atmosphere than the observations or forecast alone can provide. Data assimilation plays an increasingly important role in the study of climate and atmospheric chemistry. The NASA Data Assimilation Office (DAO) has developed the Goddard Earth Observing System Data Assimilation System (GEOS DAS) to create assimilated datasets. The core computational components of the GEOS DAS include the GEOS General Circulation Model (GCM) and the Physical-space Statistical Analysis System (PSAS). The need for timely validation of scientific enhancements to the data assimilation system poses computational demands that are best met by distributed parallel software. PSAS is implemented in Fortran 90 using object-based design principles. The analysis portions of the code solve two equations. The first of these is the "innovation" equation, which is solved on the unstructured observation grid using a preconditioned conjugate gradient (CG) method. The "analysis" equation is a transformation from the observation grid back to a structured grid, and is solved by a direct matrix-vector multiplication. Use of a factored-operator formulation reduces the computational complexity of both the CG solver and the matrix-vector multiplication, rendering the matrix-vector multiplications as a successive product of operators on a vector. Sparsity is introduced to these operators by partitioning the observations using an icosahedral decomposition scheme. PSAS builds a large (approx. 128MB) run-time database of parameters used in the calculation of these operators. Implementing a message passing parallel computing paradigm into an existing yet developing computational system as complex as PSAS is nontrivial. One of the technical challenges is balancing the requirements for computational reproducibility with the need for high performance. The problem of computational reproducibility is well known in the parallel computing community. It is a requirement that the parallel code perform calculations in a fashion that will yield identical results on different configurations of processing elements on the same platform. In some cases this problem can be solved by sacrificing performance. Meeting this requirement and still achieving high performance is very difficult. Topics to be discussed include: current PSAS design and parallelization strategy; reproducibility issues; load balance vs. database memory demands, possible solutions to these problems.

Larson, J. W.↗

NASA NTRS2016

A Test-Bed Validation of Electromagnetic Surface Wave Propagation Along a Dielectric-Coated Metal Pipe

This paper provides a summary of the results of an attempt at experimental verification of the propagation of electromagnetic surface waves at microwaves frequencies, in and along the uniform dielectric coating of a circular cylindrical metal pipe, based on the previously established theoretical investigation. These experimental results are of value for the diagnostic of anomalies on the surface of tar-coated pipes used in protecting the underground power transmission cables (feeder pipes). A test-bed was designed and implemented using an aluminum tubes (10” diameter) with an acrylic tube coating (0.25” thickness). Two identical wave launcher/receiver arrays, each of 32 elements around the tube for relatively uniform radiation/reception, were designed and fabricated at the frequency of interest (~6 GHz). This arrangement was put in a specially designed small anechoic chamber and attached to a network analyzer. A variety of tests were performed to establish the launch efficiency, prove surface wave propagation along, and reflection from different types of anomalies on the coating. In the paper, a number of test results and supporting graphs will be provided and future work for improving the performance of the launch array and the test-bed arrangement for better results will be outlined.

Gatti, Mark↗

NASA NTRS1986

Wind tunnel test evaluation of a Shuttle derived launch system

The Shuttle Derived Vehicle (SDV) is a proposed unmanned launch system configured using Shuttle elements. The SDV incorporates two solid rocket boosters, an external tank and three Space Shuttle main engines identical to those used in the present Space Transportation System. Two new elements, a recoverable propulsion/avionics module housing the main engines and an expendable payload module, complete the SDV configuration. This paper describes the activities and results of wind tunnel tests conducted to validate the aerodynamic and controllability characteristics of SDV configurations. The configuration variables consisted of the payload module diameter, length and nose shape. The tests were conducted in the NASA/Marshall Space Flight Center 14 inch trisonic wind tunnel. Aerodynamic force and moment data were obtained over a Mach number range of 0.6 to 4.96. The attack and sideslip angles were varied + or - 8.0 deg. Forces and moments were measured by a sting-supported six component strain gage balance.

Tewell, J. R.↗