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All sources NASA NTRS DOE OSTI

NASA NTRS2000

Effects of Conformal Coat on Tin Whisker Growth

A whisker from a tin plated part was blamed for the loss of a commercial spacecraft in 1998. Although pure tin finishes are prohibited by NASA, tin plated parts, such as hybrids, relays and commercial off the shelf (COTS) parts, are something discovered to have been installed in NASA spacecraft. Invariably, the assumption is that a conformal coat will prevent the growth of, or short circuits caused by, tin whiskers. This study measures the effect a Uralane coating has on the initiation and growth of tin whiskers, on the ability of this coating to prevent a tin whisker from emerging from the coating, and on the ability to prevent shorting. A sample of fourteen brass substrates (1 inch by 4 inches by 1/16 inch) were plated by two separate processes: half of the specimens were 'bright' tin plated directly over the brass substrate and half received a copper flash over the brass substrate prior to 'bright' tin plating. Each specimen was coated on one half of the substrate with three bi-directional sprays of Uralane 5750 to a nominal thickness of 25 to 75 micrometers (1 to 3 mils). Several specimens of both types, Cu and non-Cu flashed, were placed in an oven maintained at 50 C as others' work suggests that this is the optimal temperature for whisker formation. The remaining specimens were maintained at room ambient conditions. The surfaces of each specimen have been regularly inspected using both optical (15 to 400x power) and Scanning Electronic Microscopy (SEM). Many types of growths, including needle-like whiskers, first appeared approximately three months after plating on the non-conformally coated sides of all specimens. At four months, 4 to 5 times more growth sites were observed on the coated side; however, the density of growth sites on the non-conformally coated side has since increased rapidly, and now, at one year, is about the same for both sides. The density of growth sites is estimated at 90/sq mm with 30 percent of the sites growing whiskers (needle-like forms) with the potential to cause short circuit bridging. The average growth rate of the needle-like whiskers on the non-conformally coated areas is about 130 micrometers per year with some outliers reaching 800 micrometers after one year. It is more difficult to make growth measurements under the conformal coat. As yet no whiskers have been observed to penetrate through the coating surface, however, a number of tin nodules appear on the verge of breaking through the thinner regions of the coating surface. These domes are developing sharper and sharper tips, as if a growing whisker is about to push its way through a tough skin. Our observations are that the specimens with copper flash show a much lower density of nucleation sites and significantly slower whisker growth compared to the specimens that have only bright tin plating over brass. The specimens kept at room temperature have a higher whisker density than those stored at 50 C. This is an unexpected result and does not agree with the published findings of others. All of the whiskers originate from small surface defects (thin, tiny scratches) that appear over the entire surface of each specimen.

Kadesch, Jong S.↗

NASA NTRS1999

Conformal Cryogenic Tank Trade Study for Reusable Launch Vehicles

Future reusable launch vehicles may be lifting bodies with non-circular cross section like the proposed Lockheed-Martin VentureStar(tm). Current designs for the cryogenic tanks of these vehicles are dual-lobed and quad-lobed tanks which are packaged more efficiently than circular tanks, but still have low packaging efficiencies with large gaps existing between the vehicle outer mold line and the outer surfaces of the tanks. In this study, tanks that conform to the outer mold line of a non-circular vehicle were investigated. Four structural concepts for conformal cryogenic tanks and a quad-lobed tank concept were optimized for minimum weight designs. The conformal tank concepts included a sandwich tank stiffened with axial tension webs, a sandwich tank stiffened with transverse tension webs, a sandwich tank stiffened with rings and tension ties, and a sandwich tank stiffened with orthogrid stiffeners and tension ties. For each concept, geometric parameters (such as ring frame spacing, the number and spacing of tension ties or webs, and tank corner radius) and internal pressure loads were varied and the structure was optimized using a finite-element-based optimization procedure. Theoretical volumetric weights were calculated by dividing the weight of the barrel section of the tank concept and its associated frames, webs and tension ties by the volume it circumscribes. This paper describes the four conformal tank concepts and the design assumptions utilized in their optimization. The conformal tank optimization results included theoretical weights, trends and comparisons between the concepts, are also presented, along with results from the optimization of a quad-lobed tank. Also, the effects of minimum gauge values and non-optimum weights on the weight of the optimized structure are described in this paper.

Rivers, H. Kevin↗

NASA NTRS2011

Conformational Structure of Tyrosine, Tyrosyl-Glycine, and Tyrosyl-Glycyl-Glycine by Double Resonance Spectroscopy

We investigated the variation in conformation for the amino acid tyrosine (Y), alone and in the small peptides tyrosine-glycine (YC) and tyrosine-glycine-glycine (YGG), in the gas phase by using UV-UV and IR-UV double resonance spectroscopy and density functional theory calculations. For tyrosine we found seven different conformations, for YG we found four different conformations, and for YGG we found three different conformations. As the peptides get larger, we observe fewer stable conformers, despite the increasing complexity and number of degrees of freedom. We find structural trends similar to those in phenylalanine-glycine glycine (FGG) and tryptophan-glycine-glycine (WGG)j however) the effect of dispersive forces in FGG for stabilizing a folded structure is replaced by that of hydrogen bonding in YGG.

Abo-Riziq, Ali↗

NASA NTRS2012

Performance of Conformable Ablators in Aerothermal Environments

Conformable Phenolic Impregnated Carbon Ablator, a cousin of Phenolic Impregnated Carbon Ablator (PICA), was developed at NASA Ames Research Center as a lightweight thermal protection system under the Fundamental Aeronautics Program. PICA is made using a brittle carbon substrate, which has a very low strain to failure. Conformable PICA is made using a flexible carbon substrate, a felt in this case. The flexible felt significantly increases the strain to failure of the ablator. PICA is limited by its thermal mechanical properties. Future NASA missions will require heatshields that are more fracture resistant than PICA and, as a result, NASA Ames is working to improve PICAs performance by developing conformable PICA to meet these needs. Research efforts include tailoring the chemistry of conformable PICA with varying amounts of additives to enhance mechanical properties and testing them in aerothermal environments. This poster shows the performance of conformable PICA variants in arc jets tests. Some mechanical and thermal properties will also be presented.

Thornton, J.↗

NASA NTRS2012

Performance of Conformable Phenolic Impregnated Carbon Ablator in Aerothermal Environments

Conformable Phenolic Impregnated Carbon Ablator, a cousin of Phenolic Impregnated Carbon Ablator (PICA), was developed at NASA Ames Research Center as a lightweight thermal protection system under the Fundamental Aeronautics Program. PICA is made using a brittle carbon substrate, which has a very low strain to failure. Conformable PICA is made using a flexible carbon substrate, a felt in this case. The flexible felt significantly increases the strain to failure of the ablator. PICA is limited by its thermal mechanical properties. Future NASA missions will require heatshields that are more fracture resistant than PICA and, as a result, NASA Ames is working to improve PICA's performance by developing conformable PICA to meet these needs. Research efforts include tailoring the chemistry of conformable PICA with varying amounts of additives to enhance mechanical properties and testing them in aerothermal environments. This poster shows the performance of conformable PICA variants in arc jets tests. Some mechanical and thermal properties will also be presented.

ablative materials↗

NASA NTRS2024

Safety Assessment of Conformance Monitoring for Situational Awareness in UTM Operations

This report presents a systematic approach to evaluating the safety benefit of utilizing strategic deconfliction and Conformance Monitoring for Situational Awareness to manage the traffic that is comprised of both conforming aircraft and contingent aircraft. First, we developed a Monte-Carlo-based simulation platform that generates a range of nominal flight paths, a set of flight paths associated with contingent aircraft, encounters between conforming and contingent aircraft, and simulates aircraft's reported positions within conformance bounds. Next, we derived the mathematical equations for quantifying the level of safety, represented by the probability of mid-air collision per flight hour, using the flight data from the simulation platform. Finally, we compared the safety benefit of CMSA services in scenarios generated at different traffic densities and rates of contingent aircraft. This study suggests that strategic deconfliction and CMSA services can collaboratively handle traffic mixed with conforming and contingent aircraft more safely than strategic deconfliction alone.

CMSA↗

DOE OSTI2023

Extending Conformal Prediction to Hidden Markov Models with Exact Validity via de Finetti’s Theorem for Markov Chains

Conformal prediction is a widely used method to quantify uncertainty in settings where the data is independent and identically distributed (IID), or more generally, exchangeable. Conformal prediction takes in a pre-trained classifier and a calibration dataset as inputs, and returns a function which maps feature vectors to subsets of classes. The output of the returned function for a new feature vector is guaranteed to contain the true class with a pre-specified confidence. Despite its success and usefulness in IID settings, extending conformal prediction to non-exchangeable (e.g., Markovian) data in a manner that provably preserves all desirable theoretical properties has largely remained an open problem. As a solution, we extend conformal prediction to the setting of a Hidden Markov Model (HMM) with unknown parameters. The key idea behind the proposed method is to partition the non-exchangeable Markovian data from the HMM into exchangeable blocks by exploiting the de Finetti’s Theorem for Markov Chains discovered by Diaconis and Freedman (1980). The permutations of the exchangeable blocks are then viewed as randomizations of the observed Markovian data from the HMM. The proposed method provably retains all desirable theoretical guarantees offered by the classical conformal prediction framework and is general enough to be useful in many sequential prediction problems.

Nettasinghe, Don Buddhika Wijayantha↗

DOE OSTI2023

Resurgence, conformal blocks, and the sum over geometries in quantum gravity

In two dimensional conformal field theories the limit of large central charge plays the role of a semi-classical limit. Certain universal observables, such as conformal blocks involving the exchange of the identity operator, can be expanded around this classical limit in powers of the central charge c. This expansion is an asymptotic series, so — via the same resurgence analysis familiar from quantum mechanics — necessitates the existence of non-perturbative effects. In the case of identity conformal blocks, these new effects have a simple interpretation: the CFT must possess new primary operators with dimension of order the central charge. This constrains the data of CFTs with large central charge in a way that is similar to (but distinct from) the conformal bootstrap. We study this phenomenon in three ways: numerically, analytically using Zamolodchikov’s recursion relations, and by considering non-unitary minimal models with large (negative) central charge. In the holographic dual to a CFT2, the expansion in powers of c is the perturbative loop expansion in powers of ћ. So our results imply that the graviton loop expansion is an asymptotic series, whose cure requires the inclusion of new saddle points in the gravitational path integral. In certain cases these saddle points have a simple interpretation: they are conical excesses, particle-like states with negative mass which are not in the physical spectrum but nevertheless appear as non-manifold saddle points that control the asymptotic behaviour of the loop expansion. This phenomenon also has an interpretation in SL(2, R) Chern-Simons theory, where the non-perturbative effects are associated with the non-Teichmüller component of the moduli space of flat connections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Geometry of conformal manifolds and the inversion formula

Families of conformal field theories are naturally endowed with a Riemannian geometry which is locally encoded by correlation functions of exactly marginal operators. We show that the curvature of such conformal manifolds can be computed using Euclidean and Lorentzian inversion formulae, which combine the operator content of the conformal field theory into an analytic function. Analogously, operators of fixed dimension define bundles over the conformal manifold whose curvatures can also be computed using inversion formulae. These results relate curvatures to integrated four-point correlation functions which are sensitive only to the behavior of the theory at separated points. We apply these inversion formulae to derive convergent sum rules expressing the curvature in terms of the spectrum of local operators and their three-point function coefficients. We further show that the curvature can smoothly diverge only if a conserved current appears in the spectrum, or if the theory develops a continuum. We verify our results explicitly in 2d examples. In particular, for 2d (2,2) superconformal field theories we derive a lower bound on the scalar curvature, which is saturated by free theories when the central charge is a multiple of three.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Level-set topology optimization with PDE generated conformal meshes

This paper presents a level-set topology optimization approach that uses conformal meshes for the analysis of the displacement field. The structure’s boundary is represented by the iso-contour of a level-set field discretized on a fixed background design mesh. The conformal mesh is updated for each design iteration via a PDE based mesh morphing process that identifies the set of facets in the background mesh that are homeomorphic to the boundary and relaxes the homeomorphic mesh to conform to the structure’s boundary and ensure high element quality. The conformal mesh allows for a more accurate computation of the response versus density and some level-set based methods which interpolate material properties using the volume fraction. Numerical examples illustrate the proposed approach by optimizing linear-elastic two- and three-dimensional structures, wherein insight into the performance of the mesh morphing process is provided. The examples also highlight the scalability of the approach.

42 ENGINEERING↗

DOE OSTI2023

Designer molecules of the synaptic organizer MDGA1 reveal 3D conformational control of biological function

MDGAs (MAM domain-containing glycosylphosphatidylinositol anchors) are synaptic cell surface molecules that regulate the formation of trans-synaptic bridges between neurexins (NRXNs) and neuroligins (NLGNs), which promote synaptic development. Mutations in MDGAs are implicated in various neuropsychiatric diseases. MDGAs bind NLGNs in cis on the postsynaptic membrane and physically block NLGNs from binding to NRXNs. In crystal structures, the six immunoglobulin (Ig) and single fibronectin III domains of MDGA1 reveal a striking compact, triangular shape, both alone and in complex with NLGNs. Whether this unusual domain arrangement is required for biological function or other arrangements occur with different functional outcomes is unknown. Here, we show that WT MDGA1 can adopt both compact and extended 3D conformations that bind NLGN2. Designer mutants targeting strategic molecular elbows in MDGA1 alter the distribution of 3D conformations while leaving the binding affinity between soluble ectodomains of MDGA1 and NLGN2 intact. In contrast, in a cellular context, these mutants result in unique combinations of functional consequences, including altered binding to NLGN2, decreased capacity to conceal NLGN2 from NRXN1β, and/or suppressed NLGN2-mediated inhibitory presynaptic differentiation, despite the mutations being located far from the MDGA1-NLGN2 interaction site. Thus, the 3D conformation of the entire MDGA1 ectodomain appears critical for its function, and its NLGN-binding site on Ig1-Ig2 is not independent of the rest of the molecule. As a result, global 3D conformational changes to the MDGA1 ectodomain via strategic elbows may form a molecular mechanism to regulate MDGA1 action within the synaptic cleft.

MDGAs↗

DOE OSTI2022

Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor

We recently demonstrated that inhibitor binding reorganizes the oxyanion loop of a monomeric catalytic domain of SARS CoV-2 main protease (MPro) from an unwound (E) to a wound (active, E*) conformation, independent of dimerization. Here we assess the effect of the flanking N-terminal residues, to imitate the MPro precursor prior to its autoprocessing, on conformational equilibria rendering stability and inhibitor binding. Thermal denaturation (T m ) of C145A mutant, unlike H41A, increases by 6.8 °C, relative to wild-type mature dimer. An inactivating H41A mutation to maintain a miniprecursor containing TSAVL[Q or E] of the flanking nsp4 sequence in an intact form [ (-6) MPro H41A and (-6*) MPro H41A , respectively], and its corresponding mature MPro H41A were systematically examined. While the H41A mutation exerts negligible effect on T m and dimer dissociation constant (K dimer ) of MPro H41A , relative to the wild type MPro, both miniprecursors show a 4–5 °C decrease in T m and > 85-fold increase in K dimer as compared to MPro H41A . The K d for the binding of the covalent inhibitor GC373 to (-6*) MPro H41A increases ~12-fold, relative to MPro H41A , concomitant with its dimerization. While the inhibitor-free dimer exhibits a state in transit from E to E* with a conformational asymmetry of the protomers’ oxyanion loops and helical domains, inhibitor binding restores the asymmetry to mature-like oxyanion loop conformations (E*) but not of the helical domains. Finally, disorder of the terminal residues 1–2 and 302–306 observed in both structures suggest that N-terminal autoprocessing is tightly coupled to the E-E* equilibrium and stable dimer formation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Systematic mapping of the conformational landscape and dynamism of soluble fibrinogen

Background: Fibrinogen is a soluble, multisubunit, and multidomain dimeric protein, which, upon its proteolytic cleavage by thrombin, is converted to insoluble fibrin, initiating polymerization that substantially contributes to clot growth. Fibrinogen contains numerous, transiently accessible “cryptic” epitopes for hemostatic and immunologic proteins, suggesting that fibrinogen exhibits conformational flexibility, which may play functional roles in its temporal and spatial interactions. Hitherto, there have been limited integrative approaches characterizing the solution structure and internal flexibility of fibrinogen. Methods: Here, utilizing a multipronged, biophysical approach involving 2 solution-based techniques, temperature-dependent hydrogen-deuterium exchange mass spectrometry and small angle X-ray scattering, corroborated by negative stain electron microscopy, we present a holistic, conformationally dynamic model of human fibrinogen in solution. Results: Our data reveal 4 major and distinct conformations of fibrinogen accommodated by a high degree of internal protein flexibility along its central scaffold. We propose that the fibrinogen structure in the solution consists of a complex, conformational landscape with multiple local minima. This is further supported by the location of numerous point mutations that are linked to dysfibrinogenemia and posttranslational modifications, residing near the identified fibrinogen flexions. Conclusion: Further, this work provides a molecular basis for the structural “dynamism” of fibrinogen that is expected to influence the broad swath of its functionally diverse macromolecular interactions and fine-tune the structural and mechanical properties of blood clots.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Conformable, Composite Tank for Liquid Hydrogen Storage in Heavy-duty Ground Transportation

Raytheon Technologies Research Center (RTRC), with its partners, Argonne National Labs and University of Dayton Research Institute proposed to design and manufacture a conformable composite tank prototype to store liquid Hydrogen (LH2) for heavy-duty truck applications. A dual-wall tank concept was proposed where an outer shell covers and protects an inner pressure vessel that stores liquid hydrogen. The inner pressure vessel is liner-less and designed with a conformable concept, derived from prior RTRC ARPA-E program where multiple vessels are coalesced into one, maximizing space utilization and reducing surface area for heat leak. The gap between the dual wall is evacuated of air pressure, and filled with multi-layer insulation to minimize radiative heat transfer. Fiber reinforced composites were proposed for light-weighting and conformable shape manufacture. To minimize LH2 leakage, carbon nanotubes-infused composites were proposed, in addition to use of thin plies. The project was divided into two 18-month budget periods (BP), BP1 and BP2, separated by a Go/No-Go gate review. The high-level goal for BP1 was to demonstrate the feasibility of the overall approach, the tank design, material selection, and manufacturing methodology, build and test a prototype tank; and the goal for BP2 was to design and manufacture a conformal tank per DOE requirements (minimum 20 kg of LH2) and perform a successful test of the tank. The program was terminated about two-thirds of the way through BP1. The outcome of this program would have permitted long-haul trucks and construction vehicles to use liquid Hydrogen, reducing the emission of green-house gases. This technology is applicable to other transportation sectors as well.

08 HYDROGEN↗

NASA NTRS1995

Modeling of a possible conformational change associated with the catalytic mechanism in the hammerhead ribozyme

Here we describe a possible model of the cleavage mechanism in the hammerhead ribozyme. In this model, the 2' hydroxyl of C17 is moved into an appropriate orientation for an in-line attack on the G1.1 phosphate through a change in its sugar pucker from C3' endo to C2' endo. This conformational change in the active site is caused by a change in the uridine turn placing the N2 and N3 atoms of G5 of the conserved core in hydrogen bonding geometry with the N3 and N2 atoms on the conserved G16.2 residue. The observed conformational change in the uridine turn suggests an explanation for the conservation of G5. In the crystal structure of H.M. Pley et al., Nature 372, 68-74 (1994), G5 is situated 5.3A away from G16.2. However, the uridine turn is sufficiently flexible to allow this conformational change with relatively modest changes in the backbone torsion angles (average change of 14.2 degrees). Two magnesium ions were modeled into the active site with positions analogous to those described in the functionally similar Klenow fragment 3'-5' exonuclease (L.S. Beese and T.A. Steitz, EMBO J. 10, 25-33 (1991)), the Group I intron (T.A. Steitz and J.A. Steitz, P.N.A.S. U.S.A. 90, 6498-6502 (1993); R.F. Setlik et al., J. Biomol. Str. Dyn. 10, 945-972 (1993)) and other phosphotransferases. Comparison of this model with one in which the uridine turn conformation was not changed showed that although the changes in the C17 sugar pucker could be modeled, insufficient space existed for the magnesium ions in the active site.

Non-NASA Center↗

NASA NTRS2016

Development of Advanced Conformal Ablative TPS Fabricated from Rayon- and PAN-Based Carbon Felts

The conformal ablative TPS first developed under NASA's Hypersonics Project in the early 2000's demonstrated very low through the thickness conductivity compared to state-ofthe- art PICA. However, in initial arcjet testing of Conformal-1, surface recession rates were 2x higher than PICA. Because commercial carbon felts are currently available as very thin substrates, this was a concern if conformal TPS were to be considered for a mission that required thicker material. Discussed in this paper are the results of the development of an Advanced Conformal TPS derived from thicker, higher density carbon felt. Two substrate systems were evaluated, the first material was a needled rayon-based carbon felt and the other a needled PAN-based carbon felt. Both substrates were impregnated with phenolic resin following the PICA/CPICA process to add a low density phenolic matrix to the system prior to aerothermal screening at the LaRC HyMETS facility and larger scale testing in the NASA ARC Interaction Heating Facility (IHF) at heating fluxes ranging from 250-1700 W/cm2.

Arcjet Testing↗

DOE OSTI2023

Molecular Structure and Conformational Design of Donor‐Acceptor Conjugated Polymers to Enable Predictable Optoelectronic Property

Abstract Tuning the optoelectronic properties of donor‐acceptor conjugated polymers (D‐A CPs) is of great importance in designing various organic optoelectronic devices. However, there remains a critical challenge in precise control of bandgap through synthetic approach, since the chain conformation also affects molecular orbital energy levels. Here, D‐A CPs with different acceptor units are explored that show an opposite trend in energy band gaps with the increasing length of oligothiophene donor units. By investigating their chain conformation and molecular orbital energy, it is found that the molecular orbital energy alignment between donor and acceptor units plays a crucial role in dictating the final optical bandgap of D‐A CPs. For polymers with staggered orbital energy alignment, the higher HOMO with increasing oligothiophene length leads to a narrowing of the optical bandgap despite decreased chain rigidity. On the other hand, for polymers with sandwiched orbital energy alignment, the increased band gap with increasing oligothiophene length originates from the reduction of bandwidth due to more localized charge density distribution. Thus, this work provides a molecular understanding of the role of backbone building blocks on the chain conformation and bandgaps of D‐A CPs for organic optoelectronic devices through the conformation design and segment orbital energy alignment.

Cao, Zhiqiang↗

DOE OSTI2025

Improving Ionic Conformality Across Polymer Electrolyte|Electrode Interfaces

Maintaining uniform ionic transport at electrode|electrolyte interfaces, i.e., ionic conformality, remains challenging in polymer electrolyte (PE)-based solid-state batteries. Morphological conformality does not necessarily imply ionic conformality. In PEs, which typically consist of a mechanically supporting component and distinct ionically conductive components, the rearrangement or depletion of mobile ion-conductive domains at interfaces can disrupt ionic transport pathways. Such localized ionic depletion contributes to interfacial instability and capacity degradation in high-voltage lithium-metal batteries. Herein, an electrolyte design approach aimed at minimizing interfacial heterogeneities is demonstrated through compositional adjustments, characterized by spatially resolved structural and chemical X-ray techniques and NMR diffusometry to elucidate ion transport dynamics. This approach improves ionic conformality at electrode interfaces, enhancing cycling stability in Li||LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NMC811) coin and pouch cells cycled at high voltages. These results contribute to understanding interfacial behaviors in multiphase PEs and inform strategies for improving stability across solid-state battery interfaces.

36 MATERIALS SCIENCE↗