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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 73 records · Page 4

Instabilities and phase transitions in architected metamaterials: a gradient-enhanced continuum approach

Architected metamaterials such as foams and lattices exhibit a wide range of properties governed by microstructural instabilities and emerging phase transitions. Their macroscopic response–including energy dissipation during impact, large recoverable deformations, morphing between configurations, and auxetic behavior–remains difficult to capture with conventional continuum models, which often rely on discrete approaches that limit scalability. In this work, we propose a nonlocal continuum formulation that captures both stable and unstable responses of elastic architected metamaterials. The framework extends anisotropic hyperelasticity by introducing nonlocal variables and internal length scales reflective of microstructural features. Local polyconvex free-energy models are systematically augmented with two families of non-(poly)convex energies, enabling both metastable and bistable responses. Implementation in a finite element framework enables solution using a hybrid monolithic–staggered strategy. Simulations capture densification fronts, forward and reverse transitions, hysteresis loops, imperfection sensitivity, and globally coordinated auxetic modes. Overall, this framework provides a robust foundation for accelerated modeling of instability-driven phenomena in architected metamaterials, while enabling extensions to anisotropic, dissipative, and active systems as well as integration with data-driven and machine learning approaches.

42 ENGINEERING↗

Heterometallic UO 2 2+ /Ag + Complexes: Structural Design and Luminescence Properties

Reported here are the synthesis, structural characterization, and luminescence properties of 11 novel UO 2 2+ /Ag + heterometallic complexes. Halogenated benzoic acids (2,6-dihalobenzoic acid (halo = F, Br), 3,5-dichlorobenzoic acid, and 3-halobenzoic acid (halo = Br, I)) and N-donor polycyclic ligands (2,2′-bipyridine, 2,2’;6′,2″-terpyridine, 1,10-phenanthroline, 2,2′-bipyrimidine) were employed to synthesize a set of compounds and induce structural diversity. The primary mode of coordination with the uranyl cation is hexagonal bipyramidal monomeric units with three halobenzoate ligands in the equatorial plane, though 1-D chains with pentagonal bipyramidal uranyl centers also form. The Ag + cations coordinate preferentially to the N-donor ligands and serve as counter-cations for the anionic uranyl motifs. The soft ligand character of the N-donor molecules is found to be a requirement for the inclusion of the Ag + cation into the structures. Anionic uranyl units and cationic silver units assemble via noncovalent interactions between π systems on adjacent rings and between halogens (when Br and I are present). Solid-state emission spectra display the usual uranyl band with superimposed vibronic fine structure, except for that of compound 1 , which shows emission from the 2,2′-bipyridine center. This family of compounds represents a substantial contribution to the already rich library of UO 2 2+ /Ag + compounds, and the synthetic parameters discussed within reveal a platform for the design of new heterometallic uranyl-containing materials.

anions↗

Molecular basis of crosstalk in nuclear receptors: heterodimerization between PXR and CAR and the implication in gene regulation

The 48 human nuclear receptors (NRs) form a superfamily of transcription factors that regulate major physiological and pathological processes. Emerging evidence suggests that NR crosstalk can fundamentally change our understanding of NR biology, but detailed molecular mechanisms of crosstalk are lacking. Here, we report the molecular basis of crosstalk between the pregnane X receptor (PXR) and constitutive androstane receptor (CAR), where they form a novel heterodimer, resulting in their mutual inhibition. PXR and CAR regulate drug metabolism and energy metabolism. Although they have been broadly perceived as functionally redundant, a growing number of reports suggests a mutual inhibitory relation, but their precise mode of coordinated action remains unknown. Using methods including RNA sequencing, small-angle X-ray scattering and crosslinking mass spectrometry we demonstrate that the mutual inhibition altered gene expression globally and is attributed to the novel PXR–CAR heterodimerization via the same interface used by each receptor to heterodimerize with its functional partner, retinoid X receptor (RXR). These findings establish an unexpected functional relation between PXR, CAR and RXR, change the perceived functional relation between PXR and CAR, open new perspectives on elucidating their role and designing approaches to regulate them, and highlight the importance to comprehensively investigate nuclear receptor crosstalk.

59 BASIC BIOLOGICAL SCIENCES↗

GridPIQ Reference Data

GridPIQ uses dozens of publicly available datasets to provide context for a user's grid project, as well as defaults for users to choose from. Users can choose to import their own data to better customize their analysis or use GridPIQ-supplied defaults. This allows users to get up and running with an analysis very quickly without having to spend significant time pulling together input data. To run an electric vehicle (EV) smart charging project, a user will need to provide or select from prepopulated values for the regional load profile shape and peak load, region of interest and closest weather station, EV charging profile, number of EVs to add for the analysis, maximum EV charging power, location of chargers relative to grid infrastructure, and allowable charging times (for coordinated charging mode). The outputs of the analysis are changes in air quality, EV energy consumption, EV peak demand, and EV hourly consumption profile—before and after project implementation." For a detailed description of the tool methodology, including all the publicly available datasets used by the tool, see the [GridPIQ documentation](https://gridpiq.pnnl.gov/v2-beta/doc/).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Evolution of perturbations in an inflationary universe

The evolution of inhomogeneous density perturbations in a model of the very early universe that is dominated for a time by a constant energy density of a false quantum-mechanical vacuum is analyzed. During this period, the universe inflates exponentially and supercools exponentially, until a phase transition back to the true vacuum reheats the matter and radiation. Focus is on the physically measurable, coordinate-independent modes of inhomogeneous perturbations of this model and it is found that all modes either are constant or are exponentially damped during the inflationary era.

Frieman, J. A.↗

Multibody dynamics: Modeling component flexibility with fixed, free, loaded, constraint, and residual modes

The assumed-modes method in multibody dynamics allows the elastic deformation of each component in the system to be approximated by a sum of products of spatial and temporal functions commonly known as modes and modal coordinates respectively. The choice of component modes used to model articulating and non-articulating flexible multibody systems is examined. Attention is directed toward three classical Component Mode Synthesis (CMS) methods whereby component normal modes are generated by treating the component interface (I/F) as either fixed, free, or loaded with mass and stiffness contributions from the remaining components. The fixed and free I/F normal modes are augmented by static shape functions termed constraint and residual modes respectively. A mode selection procedure is outlined whereby component modes are selected from the Craig-Bampton (fixed I/F plus constraint), MacNeal-Rubin (free I/F plus residual), or Benfield-Hruda (loaded I/F) mode sets in accordance with a modal ordering scheme derived from balance realization theory. The success of the approach is judged by comparing the actuator-to-sensor frequency response of the reduced order system with that of the full order system over the frequency range of interest. A finite element model of the Galileo spacecraft serves as an example in demonstrating the effectiveness of the proposed mode selection method.

Spanos, John T.↗

Science Community Interface

The interface is described between NASA HQ, NASA Goddard, and the rocket Principal Investigators. The proposal selection process is described along with the cycle time to flight, constraints imposed by science objectives on operations, campaign modes, and coordination with ground based facilities. There were questions about the success rate of proposals and the primary sources of funding for the payloads program from the branches of the science divisions in OSSA, especially space physics, astrophysics, Earth sciences, and solar system exploration. The presentation is given in the form of viewgraphs.

Neupert, Werner M.↗

Reinforcement Learning to Enhance Optimal Operation of Resilient Community Energy Systems

This paper presents a novel model-free multi-agent Reinforcement Learning (RL) control method to enhance the resilience of community energy systems in island mode, which coordinates multiple objectives without the necessity of identifying system models that require expert knowledge. Specifically, a community-level coordinator agent is designed to allocate renewable energy resources among different buildings, and multiple building-level agents are developed to optimize load schedules based on limited energy resources and requirements of building loads and occupants’ comfort. In a two-day evaluation, our RL approach demonstrated a similar performance against MPC without requiring system models and formulation of optimization problems as required in MPC.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗

A BOUT++ extension for full annular tokamak edge MHD and turbulence simulations

For tokamak edge plasma simulation, a plasma simulation framework BOUT++ employs a dual coordinate system to simulate moderate-n and high-n plasma instability with reasonable computational cost, where n is the toroidal mode number. This coordinate system however limits the computational domain to the toroidal wedge (full torus divided into N parts in the toroidal direction) for computational efficiency and the use of flute-ordering approximation in the field solver calculating the flow potential from the vorticity which may not be valid for low-n modes. Improving numerical treatment of low-n modes is however indispensable to address simulations of low-n current-driven edge localized mode (ELM), ELM control by resonant magnetic perturbations (RMPs), edge turbulence with RMPs and so on. In this work, BOUT++ is extended to simulate the interplay between $n=0$, low-n and high-n plasma components in a full annular tokamak edge domain through hybrid modeling of the flow potential and the vorticity. Low-n modes of flow potential are calculated in an orthogonal flux surface coordinate and high-n modes in the dual coordinate system separately in Fourier space. Finally, the proposed scheme can capture an interplay between $n=1$ global modes and high-n turbulence during pedestal collapse in a full annular torus domain with a circular cross section.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Multibody model reduction by component mode synthesis and component cost analysis

The classical assumed-modes method is widely used in modeling the dynamics of flexible multibody systems. According to the method, the elastic deformation of each component in the system is expanded in a series of spatial and temporal functions known as modes and modal coordinates, respectively. This paper focuses on the selection of component modes used in the assumed-modes expansion. A two-stage component modal reduction method is proposed combining Component Mode Synthesis (CMS) with Component Cost Analysis (CCA). First, each component model is truncated such that the contribution of the high frequency subsystem to the static response is preserved. Second, a new CMS procedure is employed to assemble the system model and CCA is used to further truncate component modes in accordance with their contribution to a quadratic cost function of the system output. The proposed method is demonstrated with a simple example of a flexible two-body system.

Spanos, J. T.↗

Vibration of a flexible spacecraft with momentum exchange controllers

Floating reference frames were investigated in order to allow first order vibration analysis in the presence of large system rotations. When the deformations of an elastic continuum are expanded in terms of the free-free modes of an unconstrained system, the rigid body modes are found to be fixed relative to the Tisserand frame, with respect to which the relative momentum is zero. The proof presented for this is based on the orthogonality condition for modes with distinct natural frequencies. This result also guarantees the independence of coordinates for all modes with nonzero natural frequencies. A Modified Tisserand Constraint is introduced in order to define a floating reference frame with similar properties for an elastic body which contains a spinning rotor. Finite element equations of motion are derived for a completely flexible spacecraft with momentum exchange controllers, using a Modified Tisserand Frame. The deformable systems covered in this application are assumed to undergo only small rotations, and therefore the rotor torques must formally be small, although in engineering applications it may be possible to relax this constraint. A modal analysis is performed for the system and the resulting set of equations is reduced in number by a truncation procedure for more efficient system simulation.

Canavin, J. R.↗

A NASTRAN DMAP alter for the coupling of modal and physical coordinate substructures

A method is described to derive a generalized coordinate model consisting of flexible cantilever modes and rigid body modes from a physical coordinate model using a direct matrix abstraction procedure alter to rigid format 3. This model can readily be coupled to other substructures using modal synthesis techniques. It allows the use of a reduced size model for structural analyses while maintaining the capability of recovering the accelerations, forces, stresses, etc., from the original, large, complex model. This output recovery is accomplished with the use of a loads transformation matrix which relates the output parameters to the modal coordinate accelerations. In addition, a method is described to synthesize structural models consisting of hybrid coordinates for use in dynamic response analyses where one structure is described using physical coordinates and the other using generalized modal coordinates.

Wilson, T. L.↗

Structural Characterization of Two CO Molecules Bound to the Nitrogenase Active Site

As an approach towards unraveling the nitrogenase mechanism, we have studied the binding of CO to the activesite FeMo-cofactor. CO is not only an inhibitor of nitrogenase, but it is also a substrate, undergoing reduction to hydrocarbons (Fischer–Tropsch-type chemistry). The CC bond forming capabilities of nitrogenase suggest that multiple CO or COderived ligands bind to the active site. Herein, we report a crystal structure with two CO ligands coordinated to the FeMo-cofactor of the molybdenum nitrogenase at 1.33 resolution. In addition to the previously observed bridging CO ligand between Fe2 and Fe6 of the FeMo-cofactor, a new ligand binding mode is revealed through a second CO ligand coordinated terminally to Fe6. While the relevance of this state to nitrogenase-catalyzed reactions remains to be established, it highlights the privileged roles for Fe2 and Fe6 in ligand binding, with multiple coordination modes available depending on the ligand and reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experience with a three-axis side-located controller during a static and centrifuge simulation of the piloted launch of a manned multistage vehicle

An investigation was conducted to determine a human pilot's ability to control a multistage vehicle through the launch trajectory. The simulation was performed statically and dynamically by utilizing a human centrifuge. An interesting byproduct of the program was the three-axis side-located controller incorporated for pilot control inputs. This method of control proved to be acceptable for the successful completion of the tracking task during the simulation. There was no apparent effect of acceleration on the mechanical operation of the controller, but the pilot's control feel deteriorated as his dexterity decreased at high levels of acceleration. The application of control in a specific control mode was not difficult. However, coordination of more than one mode was difficult, and, in many instances, resulted in inadvertent control inputs. The acceptable control harmony at an acceleration level of 1 g became unacceptable at higher acceleration levels. Proper control-force harmony for a particular control task appears to be more critical for a three-axis controller than for conventional controllers. During simulations in which the pilot wore a pressure suit, the nature of the suit gloves further aggravated this condition.

Andrews, William H.↗

Multi-disciplinary optimization of aeroservoelastic systems

New methods were developed for efficient aeroservoelastic analysis and optimization. The main target was to develop a method for investigating large structural variations using a single set of modal coordinates. This task was accomplished by basing the structural modal coordinates on normal modes calculated with a set of fictitious masses loading the locations of anticipated structural changes. The following subject areas are covered: (1) modal coordinates for aeroelastic analysis with large local structural variations; and (2) time simulation of flutter with large stiffness changes.

Karpel, Mordechay↗

Inertial sensor and method of use

The inertial sensor of the present invention utilizes a proof mass suspended from spring structures forming a nearly degenerate resonant structure into which a perturbation is introduced, causing a split in frequency of the two modes so that the mode shape become uniquely defined, and to the first order, remains orthogonal. The resonator is provided with a mass or inertia tensor with off-diagonal elements. These off-diagonal elements are large enough to change the mode shape of the two nearly degenerate modes from the original coordinate frame. The spring tensor is then provided with a compensating off-diagonal element, such that the mode shape is again defined in the original coordinate frame. The compensating off-diagonal element in the spring tensor is provided by a biasing voltage that softens certain elements in the spring tensor. Acceleration disturbs the compensation and the mode shape again changes from the original coordinate frame. By measuring the change in the mode shape, the acceleration is measured.

Gutierrez, Roman C.↗

Real-Time State Estimation of Structural Modes for an Aeroelastic Wind Tunnel Model

A method is presented for estimating displacements, velocities, and accelerations of structural modes in generalized coordinates from measured sensor data in real time. Specifically, strain data from conventional strain gauges and fiber optic strain sensors (FOSS) were combined with the strain modes (obtained from a finite element model) in a least-squares estimator to produce structural mode displacement estimates and uncertainties. Likewise, accelerometer data were combined with displacement mode shapes in a second least-squares estimator to produce structural mode acceleration estimates. A Kalman filter was then used to refine the displacement estimates and obtain velocity estimates. The method was applied to the half-span wind tunnel test article used in the NASA-Boeing collaboration called the Integrated Adaptive Wing Technology Maturation (IAWTM) project. The technique was found to be useful for real-time control and system identification applications.

Jared A. Grauer↗

Method for Real-Time State Estimation of Structural Modes for an Aeroelastic Wind Tunnel Model

A method for estimating displacements, velocities, and accelerations of structural modes in generalized coordinates from measured sensor data in real time is developed and demonstrated. Data from conventional strain gauges and fiber optic strain sensors (FOSS) were combined with strain mode shapes to produce least-squares estimates of the structural mode displacements. Similarly, accelerometer data were combined with displacement mode shapes to estimate structural mode accelerations. Estimates were then combined using a Kalman filter to refine the displacement estimates and produce structural mode velocity estimates. The approach was demonstrated using simulation data for the NASA-Boeing collaboration called the Integrated Adaptive Wing Technology Maturation (IAWTM) project in both a stable open-loop condition and an unstable condition where estimated displacement and velocity states were used for feedback control. Results supported the feasibility of using this approach for feedback control and system identification applications for wind tunnel tests.

Aeroservoelasticity↗