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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Active control of a flexible structure using a modal positive position feedback controller

The feasibility of a new Modal Positive Position Feedback (MPPF) strategy in controlling the vibration of a complex flexible structure using a single piezo-electric active structural member is demonstrated. The control strategy generates its control forces by manipulating only the modal position signals of the structure to provide a damping action to undamped modes. This is in contrast to conventional modal controllers that rely in their operation on negative feedback of both the modal position and velocity. The proposed strategy is very simple to design and implement as it designs the controller at the uncoupled modal level and utilizes simple first order filters to achieve the Positive Position Feedback effect. The performance of the new strategy is enhanced by augmenting it with a time sharing strategy to share a small number of actuators between larger number of modes. The effectiveness of the new strategy is validated experimentally on a flexible box-type structure that has four bays and its first two bending modes are 2.015 and 6.535 Hz respectively. A single piezo-electric actuator is utilized as an active structural member to control several transverse bending modes of the structure. The performance of the active control system is determined in the time and the frequency domains. The results are compared with those obtained when using the Independent Modal Space Control (IMSC) of Meirovitch. The experimental results suggest the potential of the proposed strategy as a viable means for controlling the vibration of large flexible structures in real time.

Poh, S.↗
NASA NTRS1990

Active control of a flexible structure using a modal positive position feedback controller

The feasibility of a new Modal Positive Position Feedback (MPPF) strategy in controlling the vibration of a complex flexible structure using a single piezo-electric active structural member is demonstrated. The control strategy generates its control forces by manipulating only the modal position signals of the structure to provide a damping action to undamped modes. This is in contrast to conventional modal controllers that rely in their operation on negative feedback of both the modal position and velocity. The proposed strategy is very simple to design and implement as it designs the controller at the uncoupled modal level and utilizes simple first order filters to achieve the Positive Position Feedback effect. The performance of the new strategy is enhanced by augmenting it with a time sharing strategy to share a small number of actuators between larger number of modes. The effectiveness of the new strategy is validated experimentally on a flexible box-type structure that has four bays and its first two bending modes are 2.015 and 6.535 Hz, respectively. A single piezo-electric actuator is utilized as an active structural member to control several transverse bending modes of the structure. The performance of the active control system is determined in the time and the frequency domains. The results are compared with those obtained when using the Independent Modal Space Control (IMSC) of Meirovitch. The experimental results suggest the potential of the proposed strategy as a viable means for controlling the vibration of large flexible structures in real time.

Poh, S.↗
DOE OSTI2023

Structure of human TRPV4 in complex with GTPase RhoA

Transient receptor potential (TRP) channel TRPV4 is a polymodal cellular sensor that responds to moderate heat, cell swelling, shear stress, and small-molecule ligands. It is involved in thermogenesis, regulation of vascular tone, bone homeostasis, renal and pulmonary functions. TRPV4 is implicated in neuromuscular and skeletal disorders, pulmonary edema, and cancers, and represents an important drug target. The cytoskeletal remodeling GTPase RhoA has been shown to suppress TRPV4 activity. Here, we present a structure of the human TRPV4-RhoA complex that shows RhoA interaction with the membrane-facing surface of the TRPV4 ankyrin repeat domains. The contact interface reveals residues that are mutated in neuropathies, providing an insight into the disease pathogenesis. We also identify the binding sites of the TRPV4 agonist 4α-PDD and the inhibitor HC-067047 at the base of the S1-S4 bundle, and show that agonist binding leads to pore opening, while channel inhibition involves a π-to-α transition in the pore-forming helix S6. Our structures elucidate the interaction interface between hTRPV4 and RhoA, as well as residues at this interface that are involved in TRPV4 disease-causing mutations. They shed light on TRPV4 activation and inhibition and provide a template for the design of future therapeutics for treatment of TRPV4-related diseases.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Coaxial Direct Ink Writing of Cholesteric Liquid Crystal Elastomers in 3D Architectures

Abstract Cholesteric liquid crystal elastomers (CLCEs) hold great promise for mechanochromic applications in anti‐counterfeiting, smart textiles, and soft robotics, thanks to the structural color and elasticity. While CLCEs are printed via direct ink writing (DIW) to fabricate free‐standing films, complex 3D structures are not fabricated due to the opposing rheological properties necessary for cholesteric alignment and multilayer stacking. Here, 3D CLCE structures are realized by utilizing coaxial DIW to print a CLC ink within a silicone ink. By tailoring the ink compositions, and thus, the rheological properties, the cholesteric phase rapidly forms without an annealing step, while the silicone shell provides encapsulation and support to the CLCE core, allowing for layer‐by‐layer printing of self‐supported 3D structures. As a demonstration, free‐standing bistable thin‐shell domes are printed. Color changes due to compressive and tensile stresses can be witnessed from the top and bottom of the inverted domes, respectively. When the domes are arranged in an array and inverted, they can snap back to their base state by uniaxial stretching, thereby functioning as mechanical sensors with memory. The additive manufacturing platform enables the rapid fabrication of 3D mechanochromic sensors thereby expanding the realm of potential applications for CLCEs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

DNA sequence-dependent activity and base flipping mechanisms of DNMT1 regulate genome-wide DNA methylation

DNA methylation maintenance by DNMT1 is an essential process in mammals but molecular mechanisms connecting DNA methylation patterns and enzyme activity remain elusive. Here, we systematically analyzed the specificity of DNMT1, revealing a pronounced influence of the DNA sequences flanking the target CpG site on DNMT1 activity. We determined DNMT1 structures in complex with preferred DNA substrates revealing that DNMT1 employs flanking sequence-dependent base flipping mechanisms, with large structural rearrangements of the DNA correlating with low catalytic activity. Moreover, flanking sequences influence the conformational dynamics of the active site and cofactor binding pocket. Importantly, we show that the flanking sequence preferences of DNMT1 highly correlate with genomic methylation in human and mouse cells, and 5-azacytidine triggered DNA demethylation is more pronounced at CpG sites with flanks disfavored by DNMT1. Overall, our findings uncover the intricate interplay between CpG-flanking sequence, DNMT1-mediated base flipping and the dynamic landscape of DNA methylation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Optical Spectroscopy and Scanning Tunneling Microscopy Studies of Molecular Adsorbates and Anisotropic Ultrathin Films

The goal of the research under this project was to develop sufficient fundamental understanding to allowthe controlled preparation of nano-, and meso-structured surfaces with novel optical propertiesand chemical reactivity. The research placed an emphasis on the synthesis of, sometimes complex, surface structures under conditions that allow for detailed control and understanding of the composition and structure and the subsequent relationship to properties and chemical reactivity. In this research we utilized a combination of optical probes (Polarization and angle dependent laser reflectivity and Laser Raman Scattering) with modern surface imaging experiments (electron microscopy (SEM, TEM), and variable temperature ultra high vacuum scanning tunneling microscopy (STM)). These experiments were combined with conventional methods of UHV surface science (High Resolution Electron Energy Loss Vibrational Spectroscopy (HREELS), Auger electron spectroscopy (AES), x-ray photoelectron spectroscopy (XPS) and thermal desorption spectroscopy (TDS)). The conventional surface probes provide well-tested methods for the preparation and characterization of substrates. The optical probes used provided powerful methods for the characterization of the structure dependent optical properties of novel molecular and nanometer scale, and mesoscale surface structures as well as molecular identification and quantification of adsorbates in monolayers and ultrathin films. A combination of STM and SEM/TEM were utilized to study the growth of mesoscopically ordered nanometer sized metal and metal oxide structures on well-defined substrates such as highly ordered pyrolytic graphite (HOPG). We developed methods (e.g.photoelectrochemical deposition) to decorate nanometer scale metal oxide structures with transition metal nanoparticles generating Nanoparticles on Nanoscale substrate materials (NpNs). The electronic structure and chemical properties of these new structures were studied and contrasted with those of the more conventional nanoparticles on macroscopic substrate materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Data Science-Driven Discovery of Multimetallic Oxygen-cycle Electrocatalysts for Enhanced Energy Conversion

The overarching objective of this effort has been to combine state-of-the-art data science techniques, first principles analyses, and molecular-level characterization of electrocatalyst structure and reactivity to identify both in-situ mechanisms for degradation and transformation of electrocatalysts with highly complex catalytic structures and the impact of these transformations on catalytic activity. The primary catalysts of interest have been multielemental alloys, including high entropy alloys (HEA’s), which are characterized by a high degree of disorder and up to 20 different elements within a single nanoparticle. We have applied these strategies primarily to energy-critical oxygen cycle electrocatalytic reactions, including oxygen reduction (ORR), but we have also considered extensions to non-electrochemical chemistries such as ammonia synthesis and decomposition. We have made strong progress in the development of computational methods on both the level of machine learning methods development as well as first principles-based treatments of HEA’s, and we have leveraged these insights to propose promising HEA catalysts for the ORR. On the experimental side, we developed new HEA synthesis and characterization protocols relevant to these reactions and developed a database combining our experimental results with corresponding computational tools.

36 MATERIALS SCIENCE↗
NASA NTRS1991

The transition of ground-based space environmental effects testing to the space environment

The goal of the space flight program at the Center for Commercial Development of Space (CCDS)--Materials for Space Structures is to provide environmentally stable structural materials to support the continued humanization and commercialization of the space frontier. Information on environmental stability will be obtained through space exposure, evaluation, documentation, and subsequent return to the supplier of the candidate material for internal investigation. This program provides engineering and scientific service to space systems development firms and also exposes CCDS development candidate materials to space environments representative of in-flight conditions. The maintenance of a technological edge in space for NASA suggests the immediate search for space materials that maintain their structural integrity and remain environmentally stable. The materials being considered for long-lived space structures are complex, high strength/weight ratio composites. In order for these new candidate materials to qualify for use in space structures, they must undergo strenuous testing to determine their reliability and stability when subjected to the space environment. Ultraviolet radiation, atomic oxygen, debris/micrometeoroids, charged particles radiation, and thermal fatigue all influence the design of space structural materials. The investigation of these environmental interactions is the key purpose of this center. Some of the topics discussed with respect to the above information include: the Space Transportation System, mission planning, spaceborne experiments, and space flight payloads.

Zaat, Stephen V.↗
NASA NTRS2009

The Structure of Coronal Loops

It is widely believed that the simple coronal loops observed by XUV imagers, such as EIT, TRACE, or XRT, actually have a complex internal structure consisting of many (perhaps hundreds) of unresolved, interwoven "strands". According to the nanoflare model, photospheric motions tangle the strands, causing them to reconnect and release the energy required to produce the observed loop plasma. Although the strands, themselves, are unresolved by present-generation imagers, there is compelling evidence for their existence and for the nanoflare model from analysis of loop intensities and temporal evolution. A problem with this scenario is that, although reconnection can eliminate some of the strand tangles, it cannot destroy helicity, which should eventually build up to observable scales. we consider, therefore, the injection and evolution of helicity by the nanoflare process and its implications for the observed structure of loops and the large-scale corona. we argue that helicity does survive and build up to observable levels, but on spatial and temporal scales larger than those of coronal loops. we discuss the implications of these results for coronal loops and the corona, in general .

Antiochos, Spiro K.↗
DOE OSTI2022

Heteroleptic Square Planar Cobalt(I/II) Complexes

Reduction of the cobalt(II) chloride complex, Ph 2 B( t BuIm) 2 Co(THF)Cl (1) in the presence of t BuN≡C affords the diamagnetic, square planar cobalt(I) complex Ph 2 B( t BuIm) 2 Co(C≡N t Bu) 2 (2). This is a rare example of a 16-electron cobalt(I) complex that is structurally related to square planar noble metal complexes. Accordingly, the electronic structure of 2, as calculated by DFT, reveals that the HOMO is largely d z 2 in character. Complex 2 is readily oxidized to its cobalt(II) congener [Ph 2 B( t BuIm) 2 Co(C=N t Bu) 2 ]BPh 4 (3-BPh 4 ), whose EPR spectral parameters are characteristic of low-spin d 7 with an unpaired electron in an orbital of d z 2 parentage. Further, this is also consistent with the results of DFT calculations. Despite its 16-electron configuration and the d z 2 parentage of the HOMO, the only tractable reactions of 2 involve one electron oxidation to afford 3.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Incorporating geological structure into sensitivity analysis of subsurface contaminant transport

Simulating subsurface contaminant transport at the kilometer-scale often entails modeling reactive flow and transport within and through complex geologic structures. These structures are typically meshed by hand and as a result geologic structure is usually represented by one or a few deterministically generated geological models for uncertainty studies of flow and transport in the subsurface. Uncertainty in geologic structure can have a significant impact on contaminant transport. In this study, the impact of geologic structure on contaminant tracer transport in a shale formation is investigated for a simplified generic deep geologic repository for permanent disposal of spent nuclear fuel. An open-source modeling framework is used to perform a sensitivity analysis study on transport of two tracers from a generic spent nuclear fuel repository with uncertain location of the interfaces between the stratum of the geologic structure. The automated workflow uses sampled realizations of the geological structural model in addition to uncertain flow parameters in a nested sensitivity analysis. Concentration of the tracers at observation points within, in line with, and downstream of the repository are used as the quantities of interest for determining model sensitivity to input parameters and geological realization. Finally, the results of the study indicate that the location of strata interfaces in the geological structure has a first-order impact on tracer transport in the example shale formation, and that this impact may be greater than that of the uncertain flow parameters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Demystify radiation-enhanced hydrogen isotope diffusion in Fe-Ni-Cr austenitic stainless steels

Understanding and containing hydrogen isotope diffusion is crucial for many nuclear applications. In situ experiments have consistently shown that radiation significantly enhances isotope diffusion in austenitic stainless steels. Despite extensive research, the mechanism behind this phenomenon remains elusive, as most radiation-induced defects (e.g., vacancies, dislocations, and grain boundaries) typically trap hydrogen, thereby slowing diffusion. While grain boundaries may increase in-plane diffusivity and interstitials may enhance diffusion due to material swelling, these effects are relatively minor. Utilizing an Fe-Ni-Cr-H interatomic potential for stainless steels, we conducted extensive molecular dynamics simulations to investigate the origins of radiation-enhanced diffusion. Here, our findings reveal that when a system is resolidified, mimicking defects created by radiation displacements, the resulting structure contains a mixture of phases, boundaries, and dislocation networks. This defective structure significantly increases hydrogen diffusivity, enhancing it by approximately 1.7 times at 900 K. These results suggest that the complex defect structures formed during radiation displacements are the primary drivers of the observed diffusion enhancement, providing valuable insights into the mechanisms underlying radiation-enhanced diffusion in nuclear materials.

36 MATERIALS SCIENCE↗
NASA NTRS1967

Ultrasonics used to measure residual stress

Ultrasonic method is used to measure residual stress in metal structures. By using this method, various forms of wave propagation in metals are possible, and more thorough analysis of complex geometric structures may be had.

Source record↗
NASA NTRS1989

Evidence for volcanism in NW Ishtar Terra, Venus

Venera 15/16 radar data for an area in NW Ishtar Terra, Venus, show an area with moderate radar return and a smooth textured surface which embays low lying areas of the surrounding mountainous terrain. Although this unit may be an extension of the lava plains of Lakshmi Planum to the southeast, detailed study suggests a separate volcanic center in NW Ishtar Terra. Lakshmi Planum, on the Ishtar Terra highland, exhibits major volcanic and tectonic features. On the Venera radar image radar brightness is influenced by slope and roughness; radar-facing slopes (east-facing) and rough surfaces (approx. 8 cm average relief) are bright, while west-facing slopes and smooth surfaces are dark. A series of semi-circular features, apparently topographic depressions, do not conform in orientation to major structural trends in this region of NW Ishtar Terra. The large depression in NW Ishtar Terra is similar to the calderas of Colette and Sacajawea Paterae, as all three structures are large irregular depressions. NW Ishtar Terra appears to be the site of a volcanic center with a complex caldera structure, possibly more than one eruptive vent, and associated lobed flows at lower elevations. The morphologic similarity between this volcanic center and those of Colette and Sacajawea suggests that centralized eruptions have been the dominant form of volcanism in Ishtar. The location of this volcanic center at the intersection of two major compressional mountain belts and the large size of the calders (with an inferred larg/deep magma source) support a crustal thickening/melting rather than a hot-spot origin for these magmas.

Gaddis, L.↗
DOE OSTI2023

Structural characterization of an intrinsically disordered protein complex using integrated small-angle neutron scattering and computing

Characterizing structural ensembles of intrinsically disordered proteins (IDPs) and intrinsically disordered regions (IDRs) of proteins is essential for studying structure–function relationships. Due to the different neutron scattering lengths of hydrogen and deuterium, selective labeling and contrast matching in small-angle neutron scattering (SANS) becomes an effective tool to study dynamic structures of disordered systems. However, experimental timescales typically capture measurements averaged over multiple conformations, leaving complex SANS data for disentanglement. We hereby demonstrate an integrated method to elucidate the structural ensemble of a complex formed by two IDRs. We use data from both full contrast and contrast matching with residue-specific deuterium labeling SANS experiments, microsecond all-atom molecular dynamics (MD) simulations with four molecular mechanics force fields, and an autoencoder-based deep learning (DL) algorithm. From our combined approach, we show that selective deuteration provides additional information that helps characterize structural ensembles. We find that among the four force fields, a99SB-disp and CHARMM36m show the strongest agreement with SANS and NMR experiments. In addition, our DL algorithm not only complements conventional structural analysis methods but also successfully differentiates NMR and MD structures which are indistinguishable on the free energy surface. Finally, we present an ensemble that describes experimental SANS and NMR data better than MD ensembles generated by one single force field and reveal three clusters of distinct conformations. Our results demonstrate a new integrated approach for characterizing structural ensembles of IDPs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Synthesis, Structure, and Properties of the Complex Zintl Phase Eu 9 Zn 4.5 As 9 : A Candidate Topological Insulator and Thermoelectric Material

Reported are the synthesis and detailed analysis of the crystal and electronic structure of the novel Zintl phase Eu 9 Zn 4.5 As 9 . This material was identified in the densely populated Eu–Zn–As compositional space. For structure determination and for property measurements, suitable single crystals of this compound were grown from either Sn- or Pb-flux. Single-crystal X-ray diffraction methods indicate that Eu 9 Zn 4.5 As 9 crystallizes in the orthorhombic crystal system with the space group Pnma (a = 12.1953(7) Å, b = 4.3730(2) Å, c = 42.674(2) Å) and is formally isostructural to Ca 9 Mn 4+x Sb 9 , the less common “9–4–9” type. The structure is heavily disordered, with multiple partially occupied sites, yet, according to the Zintl-Klemm formalism, a charge-balanced composition (Eu 2+ ) 9 (Zn 2+ ) 4.5 (As 3− ) 9 is attained. Electronic structure calculations for a model, disorder-free structure indicate no energy gap between the valence and the conduction bands and suggest (semi)metallic behavior. Preliminary susceptibility measurements confirm the expected divalent nature of Eu 2+ ([Xe] 4 f 7 ground state).

Zintl phases↗
DOE OSTI2022

Nematic Colloidal Micro‐Robots as Physically Intelligent Systems

Abstract Physically intelligent micro‐robotic systems exploit information embedded in micro‐robots, their colloidal cargo, and their milieu to interact, assemble, and form functional structures. Nonlinear anisotropic fluids such as nematic liquid crystals (NLCs) provide untapped opportunities to embed interactions via their topological defects, complex elastic responses, and ability to dramatically restructure in dynamic settings. Here a four‐armed ferromagnetic micro‐robot is designed and fabricated to embed and dynamically reconfigure information in the nematic director field, generating a suite of physical interactions for cargo manipulation. The micro‐robot shape and surface chemistry are designed to generate a nemato‐elastic energy landscape in the domain that defines multiple modes of emergent, bottom‐up interactions with passive colloids. Micro‐robot rotation expands the ability to sculpt interactions; the energy landscape around a rotating micro‐robot is dynamically reconfigured by complex far‐from‐equilibrium dynamics of the micro‐robot's companion topological defect. These defect dynamics allow transient information to be programmed into the domain and exploited. Robust micro‐robotic manipulation strategies are demonstrated that exploit these diverse modes of nemato‐elastic interaction to achieve cargo docking, transport, release, and assembly of complex reconfigurable structures at multi‐stable sites. Such structures are of great interest to future developments of LC‐based advanced optical device and micro‐manufacturing in anisotropic environments.

Yao, Tianyi↗
DOE OSTI2025

Multiphysics simulation of recent experiments on alkali‐silica reaction expansion in reinforced concrete members

Alkali‐silica reaction (ASR) is an important degradation process that causes volumetric expansion and damage in concrete, and is affected significantly by the local temperature, moisture and stress conditions that often vary across the regions of a structure. Numerical simulation is essential to predict the progression and effects of ASR on the performance of structures. Because of the interactions between thermal and moisture transport and mechanical deformation, it is important for numerical models to represent all these physical phenomena and the coupling between them. Simulations of ASR in reinforced concrete (RC) structures are further complicated by the need to capture interactions between concrete and embedded reinforcing bars. Here, this paper describes the implementation of a scalable, coupled‐physics ASR model for simulating RC structures and assesses the ability of that model to predict ASR‐induced expansion in recent laboratory tests on RC block and beam specimens. These laboratory tests and the simulation approach were selected because of their applicability to RC structural‐scale simulations. This validation study helps builds confidence the ability of this approach to model ASR expansion in large, complex RC structures, which is a current high‐priority need.

36 MATERIALS SCIENCE↗