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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 343 records · Page 19

Research and development at ORNL/CESAR towards cooperating robotic systems for hazardous environments

One of the frontiers in intelligent machine research is the understanding of how constructive cooperation among multiple autonomous agents can be effected. The effort at the Center for Engineering Systems Advanced Research (CESAR) at the Oak Ridge National Laboratory (ORNL) focuses on two problem areas: (1) cooperation by multiple mobile robots in dynamic, incompletely known environments; and (2) cooperating robotic manipulators. Particular emphasis is placed on experimental evaluation of research and developments using the CESAR robot system testbeds, including three mobile robots, and a seven-axis, kinematically redundant mobile manipulator. This paper summarizes initial results of research addressing the decoupling of position and force control for two manipulators holding a common object, and the path planning for multiple robots in a common workspace.

Mann, R. C.↗

Cholesterol-induced suppression of Kir2 channels is mediated by decoupling at the inter-subunit interfaces

Cholesterol is a major regulator of multiple types of ion channels. Although there is increasing information about cholesterol binding sites, the molecular mechanisms through which cholesterol binding alters channel function are virtually unknown. In this study, we used a combination of Martini coarse-grained simulations, a network theory-based analysis, and electrophysiology to determine the effect of cholesterol on the dynamic structure of the Kir2.2 channel. We found that increasing membrane cholesterol reduced the likelihood of contact between specific regions of the cytoplasmic and transmembrane domains of the channel, most prominently at the subunit-subunit interfaces of the cytosolic domains. This decrease in contact was mediated by pairwise interactions of specific residues and correlated to the stoichiometry of cholesterol binding events. The predictions of the model were tested by site-directed mutagenesis of two identified residues—V265 and H222—and high throughput electrophysiology.

59 BASIC BIOLOGICAL SCIENCES↗

Effects of primary rotor parameters on flapping dynamics

The effects of flapping dynamics of four main rotor design features that influence the agility, stability, and operational safety of helicopters are studied. The parameters include flapping hinge offset, flapping hinge restraint, pitch-flap coupling, and blade lock number. First, the flapping equations of motion are derived that explicitly contain the design parameters. The dynamic equations are then developed for the tip-path plane, and the influence of individual and combined variations in the design parameters determined. The steady state flapping response is examined with respect to control input and aircraft angular rate which leads to a feedforward control law for control decoupling through cross feed, and a feedback control law to decouple the steady state flapping response. The condition for achieving perfect decoupling of the flapping response due to aircraft pitch and roll rates without using feedback control is also found for the hover case. It is indicated that the frequency of the regressing flapping mode of the rotor system can become low enough to require consideration in the assessment of handling characteristics.

Chen, R. T. N.↗

Gross primary production (GPP) and red solar induced fluorescence (SIF) respond differently to light and seasonal environmental conditions in a subalpine conifer forest

The phenology of montane conifer forests is likely to shift in response to climate change and altered seasonal dynamics of light, temperature, and moisture. Solar-induced fluorescence (SIF) is expected to provide substantial improvement for mapping temporal changes in evergreen gross primary production (GPP) over greenness-based remote sensing indices. The utility of SIF to monitor seasonal changes in the phenology of conifer photosynthesis depends on the degree to which GPP and SIF respond in synchrony to key environmental drivers. However, to what extent SIF and GPP become decoupled by responding differently to the combined effects of light and other environmental conditions remains unknown. The goal of this study was to characterize the responses of GPP and SIFred to a suite of environmental drivers at the half-hour time scale and determine how these relationships change across seasons. We analyzed one year of tower-based SIFred and eddy covariance-derived GPP data from a conifer forest at Niwot Ridge, Colorado. We compared the light responses of GPP and SIFred across the year, finding that SIFred increased in response to light earlier in the year than did GPP. The light response of GPP had a positive temperature dependence in spring, and this dependency reversed in summer due to increased evaporative demand, while the light response of SIFred was less temperature dependent. Using artificial neural network ensemble analysis, we found that from spring to summer, SIFred did not exhibit a parallel response to the seasonally dynamic temperature and moisture controls on GPP. In summer SIFred was not correlated with canopy conductance, suggesting that SIF is less sensitive to stomatal control than GPP. Furthermore, our results suggest that, in conifers, photosystems begin to activate in spring prior to when water becomes available for photosynthesis, presenting a challenge for the use of SIF as a phenological indicator in conifer forests.

54 ENVIRONMENTAL SCIENCES↗

The dynamics and control of large flexible space structures, 8

A development of the in plane open loop rotational equations of motion for the proposed Spacecraft Control Laboratory Experiment (SCOLE) in orbit configuration is presented based on an Eulerian formulation. The mast is considered to be a flexible beam connected to the (rigid) shuttle and the reflector. Frequencies and mode shapes are obtained for the mast vibrational appendage modes (assumed to be decoupled) for different boundary conditions based on continuum approaches and also preliminary results are obtained using a finite element representation of the mast reflector system. The linearized rotational in plane equation is characterized by periodic coefficients and open loop system stability can be examined with an application of the Floquet theorem. Numerical results are presented to illustrate the potential instability associated with actuator time delays even for delays which represent only a small fraction of the natural period of oscillation of the modes contained in the open loop model of the system. When plant and measurement noise effects are added to the previously designed deterministic model of the hoop column system, it is seen that both the system transient and steady state performance are degraded. Mission requirements can be satisfied by appropriate assignment of cost function weighting elements and changes in the ratio of plant noise to measurement noise.

Bainum, P. M.↗

TOMS Tropical Tropospheric Ozone Data Sets at the University of Maryland Website

Since 1997, shortly after the launch of the Earth-Probe TOMS (Total Ozone Mapping Spectrometer) satellite instrument, we have been processing data in near-real time to post maps of tropical tropospheric ozone at a website: metosrv2.umd.edu/-tropo. Daily, 3-day and 9-day averages of tropical tropospheric ozone column depth (TTO) are viewable from 10N to 10S. Data can be downloaded (running 9-day means) from 20N-30S. Pollution events are trackable along with dynamically-induced variations in tropospheric ozone column. TOMS smoke aerosol (toms.gsfc.nasa.gov) can be used to interpret biomass burning ozone, as for example, during the extreme ozone and smoke pollution period during the ENSO-related fires of August November 1997. During that time plumes of ozone and smoke were frequently decoupled and ozone from Indonesian fires and from Africa merged in one large feature by late October 1997. In addition to the Earth-Probe TOMS record, data as half-month averages and as daily 9-day means from the Nimbus 7 TOMS instrument are at the metosrv2.umd.edu/-tropo website. A guide to the website and examples of ozone time-series and maps will be shown.

Kochhar, A. K.↗

Reactivity of Carbonate Solvent Electrolytes on Lithium Silicon Anodes

Silicon (Si) is promising for lithium-ion battery (LIB) anodes due to their high theoretical capacity and low electrochemical potential. However, significant challenges remain, including severe volumetric expansion during cycling and the electrochemical instability of electrolytes, which leads to the formation of a nonuniform solid electrolyte interphase (SEI). To investigate SEI formation mechanisms, computational molecular dynamics simulations offer valuable insights. In this work, we examine the trajectories and charge transfer behavior of lithium hexafluorophosphate (LiPF 6 ) salt with various solvent compositions using density functional theory (DFT) and ab initio molecular dynamics (AIMD). Among the tested electrolyte systems, LiPF 6 with vinylene carbonate (VC) added to ethyl methyl carbonate (EMC) exhibits the lowest reactivity with the Si anode. In contrast, the effects of fluoroethylene carbonate (FEC) and VC depend on whether the primary solvent is EMC alone or a mixture of ethylene carbonate (EC) and EMC. Moreover, we show that electrolyte reactivity varies with the degree of lithiation of the Si anode (LiSi vs Li 15 Si 4 ) and under different charge states. To decouple electrolyte reactivity from surface effects, we analyze the dissociation and formation energies of individual species from solvated configurations. Overall, these first-principles-based findings provide a strategic foundation for electrolyte design to improve cycling stability and extend calendar life in LIBs using Si anodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The spectrum of density perturbations in an expanding universe

The basic dynamic equations that govern the evolution of perturbations in a Friedmann-Lemaitre universe are derived. General solutions describing the evolution of adiabatic perturbations in the density of matter are obtained, and the choice of the appropriate initial conditions is examined. The various perturbation modes are compared, and the effects of decoupling on the perturbation spectrum are studied. The scheme used to follow the evolution of density perturbations through decoupling is based on an extension of the Eddington approximation to the radiative transfer equation, and is strictly valid in both optically thick and thin limits.

Silk, J.↗

Resistive hose modes in tokamak runaway electron beams

Beams of energetic runaway electrons are generated during disruptions in tokamaks, and fluid models are used to study their effects on macroscale dynamics. Linear computations of a massless, runaway electron beam coupled to MHD plasma show that resistive hose instabilities grow faster than tearing modes at large resistivity. Eigenvalue results with reduced models of the resistive hose instability are compared with results from the full MHD and beam system, showing that the resistive hose decouples from any plasma response. An estimate of plasma temperature at which growth of the resistive hose dominates tearing for post-disruption DIII-D plasma parameters is in a physically relevant regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Fault isolation and fault-tolerant control for Takagi-Sugeno fuzzy time-varying delay stochastic distribution systems

A fault isolation, estimation, and fault-tolerant control (FTC) scheme for nonlinear time-varying delay stochastic distribution control systems was presented in this paper. The Takagi-Sugeno fuzzy model was adopted to approach the nonlinear dynamics of time-varying delay systems. According to the output equivalence principle and Laplace transformation, an augmented state vector was given to solve the time-varying delay problem. When multiple actuator faults and interference occur simultaneously, fault detection, isolation and fault estimation was designed to obtained the fault information. To decouple faults and obtain the value and location information of the fault, the system was separated into two parts through the designed multiple conversion matrices, in which one subsystem was only affected by one actuator fault. This has simplified the design of fault isolation and estimation. A adaptive observer for fault estimation was given. Then, fault information such as the time, location, and size was determined. The observer gain matrices were calculated using linear matrix inequality (LMI). When a fault was detected and diagnosed, a FTC algorithm was devised using the proportional-integral control scheme to compensate the fault as much as possible. It has been shown that even if multiple faults actuator occurred simultaneously, the FTC controller still ensured the output probability density function of the system traced the desired probability density function when a fault occurred. Finally, the expected results were obtained through the simulation example, which confirmed the effectiveness of the method.

42 ENGINEERING↗

Nonlinear simulation of a flexible aircraft in maneuvering flight

A mathematical model integrating nonlinear rigid-body flight mechanics and linear aeroelastic dynamics is examined; the equations of motion for an elastic aircraft in accelerated flight are developed using Lagrangian mechanics. This approach is used to construct a simulation model of an F/A-18 (configured with tip missiles) which includes angular/elastic inertial coupling (IC). In general, the elastic modes significantly affected by IC were aerodynamically decoupled from the rest of the model. The affected modes were those which induced changes in total aircraft mass distribution. The elastic effect is noticeable if deformation-induced mass distribution changes are significant with respect to modal mass and modal frequencies. A modal parameter is presented which characterizes the level of IC between elastic momentum and rigid-body angular momentum.

Buttrill, Carey S.↗

Decoupling Lattice and Magnetic Instabilities in Frustrated CuMnO2

The AMnO 2 delafossites (A = Na, Cu) are model frustrated antiferromagnets, with triangular layers of Mn 3+ spins. At low temperatures (T N = 65 K), a C2/m → P$\bar1$ transition is found in CuMnO 2 , which breaks frustration and establishes magnetic order. In contrast to this clean transition, A = Na only shows short-range distortions at T N . Here, we report a systematic crystallographic, spectroscopic, and theoretical investigation of CuMnO 2 . We show that, even in stoichiometric samples, nonzero anisotropic Cu displacements coexist with magnetic order. Using X-ray/neutron diffraction and Raman scattering, we show that high pressures act to decouple these degrees of freedom. This manifests as an isostuctural phase transition at ~10 GPa, with a reversible collapse of the c-axis. This is shown to be the high-pressure analogue of the c-axis negative thermal expansion seen at ambient pressure. Density functional theory (DFT) simulations confirm that dynamical instabilities of the Cu + cations and edge-shared MnO 6 layers are intertwined at ambient pressure. However, high pressure selectively activates the former, before an eventual predicted reemergence of magnetism at the highest pressures. Our results show that the lattice dynamics and local structure of CuMnO 2 are quantitatively different from nonmagnetic Cu delafossites and raise questions about the role of intrinsic inhomogeneity in frustrated antiferromagnets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Why Seeding Works When Nucleation Barriers Vanish

Crystallization is a process governed by the interplay between nucleation and growth. While crystalline seeds are known to reduce nucleation barriers and accelerate crystallization under nucleation-limited conditions, their influence when nucleation is not the limiting step remains poorly understood. This creates a mechanistic puzzle in systems where nucleation barriers are already negligible, yet seeding still accelerates crystallization. Here, the synthesis of zeolites is a quintessential example of growth-limited crystallization in which seeds accelerate the process despite negligible homogeneous nucleation barriers. Using coarse-grained molecular dynamics simulations─validated across two zeolites and the unrelated case of ice crystallization─we establish that growth-limited crystallization produces many small, misoriented crystallites whose slow coarsening into larger domains controls the emergence of X-ray-detectable crystallinity. Local crystalline order, structural coherence, and X-ray detectability are therefore kinetically decoupled milestones: the first can be reached rapidly while the latter two lag significantly. Seeds resolve this lag by imposing a common orientational registry on nascent crystallites, enabling their coherent coalescence into large seed-bound domains. This early coherence-building step produces a crystallite-size asymmetry that accelerates subsequent coarsening, advancing the onset of X-ray-detectable crystallinity without necessarily increasing the nucleated fraction. We conclude that under growth-limited conditions, the apparent induction period observed in powder X-ray diffraction reflects the time required to build long-range coherence, not the time to form crystalline material. Accordingly, seeds function not primarily by reducing nucleation barriers but by enforcing spatial coherence, thereby shortening the time required to develop long-range order detectable by X-ray diffraction.

Growth-Limited Crystallization↗

Direct visualization of radiation-induced transformations at alkali halide–air interfaces

Radiation driven reactions at mineral/air interfaces are important to the chemistry of the atmosphere, but experimental constraints (e.g. simultaneous irradiation, in situ observation, and environmental control) leave process understanding incomplete. Using a custom atomic force microscope equipped with an integrated X-ray source, transformation of potassium bromide surfaces to potassium nitrate by air radiolysis species was followed directly in situ at the nanoscale. Radiolysis initiates dynamic step edge dissolution, surface composition evolution, and ultimately nucleation and heteroepitaxial growth of potassium nitrate crystallites mediated by surface diffusion at rates controlled by adsorbed water. Finally, in contrast to in situ electron microscopy and synchrotron-based imaging techniques where high radiation doses are intrinsic, our approach illustrates the value of decoupling irradiation and the basis of observation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic re-equilibration controlled multi-step transformations in (Mn, Fe) 2 (P, Si) alloys

In (Mn, Fe) 2 (P, Si) alloys crystallographic first-order phase transformations enable strong coupling of magnetic and entropic properties, potentially leading to high-efficiency energy generation and refrigeration applications. Although hysteresis losses that limit these applications can be reduced through careful control of alloy composition, compositional tuning can also unfavorably influence transformation temperatures and magnetocaloric coupling strength. Hence, exploration of additional processing variables enabling independent control of transformation properties is crucial. In this work, we investigate the role of thermal history as an additional processing variable, exploiting thermally-activated mechanisms to control properties of non-diffusive transformations in (Mn, Fe) 2 (P, Si) alloys. In so doing, we report an unusual transformation-splitting phenomenon following annealing at intermediate times, where a single well-defined magneto-structural transformation evolves towards a multi-step transformation with individual steps occurring at multiple distinct temperatures. Here, on longer annealing at the same temperatures, single-step transformation behavior is recovered. Through additional magnetic and crystallographic characterization, we show that the thermal history-controlled multi-step behavior results from sluggish thermally-activated diffusion. The two-step transformation corresponds to non-equilibrium bimodal composition distributions in the transforming phase, and these develop through a dynamic re-equilibration process as the alloy passes relatively slowly between different thermal equilibria. Together, these results suggest that thermal history primarily controls the transformation properties of (Mn, Fe) 2 (P, Si) alloys indirectly through the composition of one or more transforming phases. Additional investigations are needed to develop thermal history processing for decoupling hysteresis control from other transformation properties.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The dynamic analysis of submerged structures

Methods are described by which the dynamic interaction of structures with surrounding fluids can be computed by using finite element techniques. In all cases, the fluid is assumed to behave as an acoustic medium and is initially stationary. Such problems are solved either by explicitly modeling the fluid (using pressure or displacement as the basic fluid unknown) or by using decoupling approximations which take account of the fluid effects without actually modeling the fluid.

Everstine, G. C.↗

Numerical and experimental investigation of the flame kernel growth in a methane/air mixture near the lean flammability limit

Lean combustion has the potential to improve the thermal efficiency of spark-ignition engines, but it faces the significant challenge of increased cycle-to-cycle variation due to low mixture reactivity and unstable flame dynamics. Computational fluid dynamics (CFD) employing predictive models can guide engine design and optimize operating strategies for lean combustion. However, ignition and combustion models have rarely been validated at fuel-lean conditions, and a fundamental understanding of the early flame kernel growth process is also lacking for a successful sub-model development. Here, the present study develops a numerical simulation framework used to investigate early flame kernel growth in methane/air mixtures. A nanosecond-pulsed discharge (NPD) approach is employed to effectively decouple the flame kernel growth from the electrical discharge due to their difference in timescales, and equivalence ratios near the experimentally measured lean flammability limit (LFL) are selected to focus on challenging mixture conditions. Three numerical investigations, such as the choice of turbulence modeling, grid size, and grid control strategies, are examined to match both LFL and flame kernel structure measured from experiments. It is demonstrated that a quasi-direct numerical simulation (QDNS) with a fixed grid embedding of 10 μm can predict the LFL as φ CFD =0.61 and match the displacement speed of the kernel’s boundary marked in schlieren images. To predict the LFL and flame kernel shape, a fine grid (Δ≤12.5 μm) is needed to capture the consumption of formaldehyde (CH 2 O) in kernel’s reaction branches attached to the anode, and adaptive mesh refinement is replaced with the fixed embedding due to loss of simulation accuracy. Also, it is found that a large-eddy simulation (LES) using the Dynamic Structure model is not suitable for the NPD-induced flame kernel simulation because artificial sub-grid turbulent kinetic energy induced by shock dynamics alters the flow velocity calculation, resulting in divergence of LES from QDNS. Lastly, the simulation well matches the experimental data for the flame kernel evolution in three mixture conditions (φ = 0.7, 0.61, 0.55), showing toroidal flame kernel expansion and flame kernel growth/extinction.

33 ADVANCED PROPULSION SYSTEMS↗