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At least 253 records · Page 14

Identification of a calmodulin-regulated Ca2+-ATPase in the endoplasmic reticulum

A unique subfamily of calmodulin-dependent Ca2+-ATPases was recently identified in plants. In contrast to the most closely related pumps in animals, plasma membrane-type Ca2+-ATPases, members of this new subfamily are distinguished by a calmodulin-regulated autoinhibitor located at the N-terminal instead of a C-terminal end. In addition, at least some isoforms appear to reside in non-plasma membrane locations. To begin delineating their functions, we investigated the subcellular localization of isoform ACA2p (Arabidopsis Ca2+-ATPase, isoform 2 protein) in Arabidopsis. Here we provide evidence that ACA2p resides in the endoplasmic reticulum (ER). In buoyant density sucrose gradients performed with and without Mg2+, ACA2p cofractionated with an ER membrane marker and a typical "ER-type" Ca2+-ATPase, ACA3p/ECA1p. To visualize its subcellular localization, ACA2p was tagged with a green fluorescence protein at its C terminus (ACA2-GFPp) and expressed in transgenic Arabidopsis. We collected fluorescence images from live root cells using confocal and computational optical-sectioning microscopy. ACA2-GFPp appeared as a fluorescent reticulum, consistent with an ER location. In addition, we observed strong fluorescence around the nuclei of mature epidermal cells, which is consistent with the hypothesis that ACA2p may also function in the nuclear envelope. An ER location makes ACA2p distinct from all other calmodulin-regulated pumps identified in plants or animals.

NASA Discipline Plant Biology↗

CFD Computation of Broadband Fan Interaction Noise

In this study, a 3-D, unsteady, Reynolds Averaged Navier Stokes CFD code coupled to an acoustic calculation is used to predict the contribution of the exit guide vanes to broadband fan noise. The configuration investigated is that corresponding to the NASA Source Diagnostic Test (SDT) 22-in fan rig. Then an acoustic model introduced by Nallasamy which is based on 2-D strip theory is used to compute the broadband rotor-stator interaction noise. One configuration from the SDT matrix is considered here: the fan speed correlating to approach, and outlet guide vane count designed for cut-off of the blade passage frequency. Thus, in the chosen configuration, there are 22 rotor blades and 54 stator blades. The stators are located 2.5 tip chords downstream of the rotor trailing edge. The RANS computations are used to obtain the spectra of the unsteady surface pressure on the exit guide vanes. This surface pressure is then integrated together with the Green's function for and infinite cylindrical duct to obtain the acoustic field. The results from this investigation validate the use of the CFD code along with the acoustic model for broadband fan noise predictions. The validation enables future investigations such as the determination of rotor tip clearance and stator solidity effects on fan rotor-stator interaction noise.

Grace, Sheryl M.↗

Overview of the NASA Glenn Flux Reconstruction Based High-Order Unstructured Grid Code

A computational fluid dynamics code based on the flux reconstruction (FR) method is currently being developed at NASA Glenn Research Center to ultimately provide a large- eddy simulation capability that is both accurate and efficient for complex aeropropulsion flows. The FR approach offers a simple and efficient method that is easy to implement and accurate to an arbitrary order on common grid cell geometries. The governing compressible Navier-Stokes equations are discretized in time using various explicit Runge-Kutta schemes, with the default being the 3-stage/3rd-order strong stability preserving scheme. The code is written in modern Fortran (i.e., Fortran 2008) and parallelization is attained through MPI for execution on distributed-memory high-performance computing systems. An h- refinement study of the isentropic Euler vortex problem is able to empirically demonstrate the capability of the FR method to achieve super-accuracy for inviscid flows. Additionally, the code is applied to the Taylor-Green vortex problem, performing numerous implicit large-eddy simulations across a range of grid resolutions and solution orders. The solution found by a pseudo-spectral code is commonly used as a reference solution to this problem, and the FR code is able to reproduce this solution using approximately the same grid resolution. Finally, an examination of the code's performance demonstrates good parallel scaling, as well as an implementation of the FR method with a computational cost/degree- of-freedom/time-step that is essentially independent of the solution order of accuracy for structured geometries.

High-Order Methods↗

Angular radiation models for earth-atmosphere system. Volume 2: Longwave radiation

The longwave angular radiation models that are required for analysis of satellite measurements of Earth radiation, such as those from the Earth Radiation Budget Experiment (ERBE) are presented. The models contain limb-darkening characteristics and mean fluxes. Limb-darkening characteristics are the longwave anisotropic factor and the standard deviation of the longwave radiance. Derivation of these models from the Nimbus 7 ERB (Earth Radiation Budget) data set is described. Tabulated values and computer-generated plots are included for the limb-darkening and mean-flux models.

Suttles, J. T.↗

The Helmholtz-Kirchhoff integral relation as a framework for developing algorithms for sound propagation through inhomogeneous moving media

Transient sound propagation in an inhomogeneous moving medium is considered. For circumstances in which the medium is slowly varying over distances of a wavelength but possibly varying substantially over the propagation distance, a derivation is given of a new wave equation, which implicitly allows for diffraction and scattering and which also is consistent with earlier geometrical acoustics formulations. This wave equation is used as a starting point to derive a version of the Helmholtz-Kirchhoff integral relation that applies to inhomogeneous moving medium. It is suggested that a good approximation to the Green's function that appears in this relation is that derived from geometrical acoustics, the approximation becoming progressively better the shorter the distance between surfaces in the computation. It should also be at least as good as conventional ray acoustics, but can account for diffraction effects, such as at caustics.

Pierce, Allan D.↗

Computational aspects of sensitivity calculations in linear transient structural analysis

A study was performed focusing on the calculation of sensitivities of displacements, velocities, accelerations, and stresses in linear, structural, transient response problems. One significant goal of the study was to develop and evaluate sensitivity calculation techniques suitable for large-order finite element analyses. Accordingly, approximation vectors such as vibration mode shapes are used to reduce the dimensionality of the finite element model. Much of the research focused on the accuracy of both response quantities and sensitivities as a function of number of vectors used. Two types of sensitivity calculation techniques were developed and evaluated. The first type of technique is an overall finite difference method where the analysis is repeated for perturbed designs. The second type of technique is termed semi-analytical because it involves direct, analytical differentiation of the equations of motion with finite difference approximation of the coefficient matrices. To be computationally practical in large-order problems, the overall finite difference methods must use the approximation vectors from the original design in the analyses of the perturbed models. In several cases this fixed mode approach resulted in very poor approximations of the stress sensitivities. Almost all of the original modes were required for an accurate sensitivity and for small numbers of modes, the accuracy was extremely poor. To overcome this poor accuracy, two semi-analytical techniques were developed. The first technique accounts for the change in eigenvectors through approximate eigenvector derivatives. The second technique applies the mode acceleration method of transient analysis to the sensitivity calculations. Both result in accurate values of the stress sensitivities with a small number of modes and much lower computational costs than if the vibration modes were recalculated and then used in an overall finite difference method.

Greene, William H.↗

RGB-NDVI colour composites for visualizing forest change dynamics

The study presents a simple and logical technique to display and quantify forest change using three dates of satellite imagery. The normalized difference vegetation index (NDVI) was computed for each date of imagery to define high and low vegetation biomass. Color composites were generated by combining each date of NDVI with either the red, green, or blue (RGB) image planes in an image display monitor. Harvest and regeneration areas were quantified by applying a modified parallelepiped classification creating an RGB-NDVI image with 27 classes that were grouped into nine major forest change categories. Aerial photographs and stand history maps are compared with the forest changes indicated by the RGB-NDVI image. The utility of the RGB-NDVI technique for supporting forest inventories and updating forest resource information systems are presented and discussed.

Sader, S. A.↗

A Practical Framework for Simulating Time-Resolved Spectroscopy Based on a Real-Time Dyson Expansion

Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on subfemtosecond time scales. The interpretation of experimental results is often enhanced by parallel numerical studies, which can provide insight and validation for experimental hypotheses. However, developing a theoretical framework for simulating time-resolved spectra remains a significant challenge. The most suitable approach involves the many-body nonequilibrium Green's function formalism, which accounts for crucial dynamical many-body correlations during time evolution. While these dynamical correlations are essential for observing emergent behavior in time-resolved spectra, they also render the formalism prohibitively expensive for large-scale simulations. Substantial effort has been devoted to reducing this computational cost─through approximations and numerical techniques─while preserving the key dynamical correlations. The ultimate goal is to enable first-principles simulations of time-dependent systems ranging from small molecules to large, periodic, multidimensional solids. Here, in this perspective, we outline key challenges in developing practical simulations for time-resolved spectroscopy, with a particular focus on Green's function methodologies. We highlight a recent advancement toward a scalable framework: the real-time Dyson expansion (RT-DE) [Phys. Rev. Lett. 2024, 133, 226902]. We introduce the theoretical foundation of RT-DE and discuss strategies for improving scalability, which have already enabled simulations of system sizes beyond the reach of previous fully dynamical approaches. We conclude with an outlook on future directions for extending RT-DE to first-principles studies of dynamically correlated, nonequilibrium systems.

Reeves, Cian C. [Univ. of California, Santa Barbar↗

A three-dimensional laser ray-tracing methodology for radiation-hydrodynamics simulations

We report on a methodology for performing laser ray-tracing in three spatial dimensions for radiation-hydrodynamics simulation codes. Our method, which is an extension of that developed in Haines et al., Comput. Fluids 201, 104478 (2020), utilizes an automatically generated separate mesh for the laser ray-tracing from the radiation-hydrodynamics mesh. This enables the laser mesh to be tailored to minimize ray noise with significantly fewer rays than would be required when the ray-tracing is performed on the radiation-hydrodynamics mesh, primarily by allowing the use of high-aspect-ratio cells that are not suitable for hydrodynamics solvers. For a planar target, we show that our method provides a ≈ 100× reduction in computational expense to achieve a fixed level of ray noise relative to ray-tracing directly on the radiation-hydrodynamics mesh. The relatively low ray requirement also enables efficient computation of cross-beam energy transfer. Each cell in the logically cubic laser mesh is a non-convex dodecahedron with triangular sides, and numerical integration of the ray trajectories and inverse bremsstrahlung is performed by mapping each cell to the unit cube. We will describe our methodology in detail as well as its implementation in the xRAGE radiation-hydrodynamics code, discuss performance, and present the results from applying the methodology to test problems with analytic solutions for laser ray-tracing through a quadratic density gradient with an analytic solution as well as for a laser-driven heat front. In 3D radiation-hydrodynamics simulations of laser-driven experiments performed on the National Ignition Facility, laser ray-tracing with our methodology uses less than 1% of total computational time while introducing acceptably low levels of ray noise.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Dynamics of planetary-scale baroclinic waves during Southern Hemisphere winter

The characteristics of linear and finite amplitude baroclinic waves during Southern Hemisphere winter were investigated using a three-dimensional global primitive-equation spectral mode, with emphasis on the dynamics of planetary scale modes which propagate into the stratosphere. Linear stability computations showed that the winter zonally averaged basic state is baroclinically unstable, with the most unstable modes being Charney-type modes; however, the results showed that Green-type modes also exist; these give much larger relative amplitude in the stratosphere although they have smaller growth rates. The results suggest that the existence of both Charney and Green modes might explain certain observed properties of the eastward traveling waves, such as the lack of coherence between troposphere and stratosphere at zonal wavenumbers 1 and 2.

Young, Richard E.↗

Coronado Ecological Conservation: Assessing Vegetation Change Due to Border Wall Construction and Shifting Social Trails

Species monitoring is essential in mitigating the impacts of plant invasion, such as radical changes in an area’s ecosystem, degraded soil health, increased wildfire severity, landslides, and increased flooding. NASA DEVELOP partnered with the National Park Service (NPS) to investigate invasive species in disturbed lands: specifically, areas affected by off-trail walking and US-Mexico border construction activities. The team assessed how construction has impacted the distribution of Lehmann’s lovegrass and Russian thistle invasives throughout Coronado National Memorial, AZ from 1986 to 2022. Using data from Landsat 5 and 8, Sentinel-2, the National Agriculture Imagery Program, and PlanetScope, the team computed vegetation indices including the Normalized Difference Vegetation Index, Normalized Difference Moisture Index, Modified Soil Adjusted Vegetation Index 2, Enhanced Vegetation Index, and Tasseled Cap Wetness, Brightness, and Greenness transformations as vegetation health indicators to input into various machine learning algorithms. To minimize noise, the team conducted Principal Component Analysis on the vegetation indices and spectral bands before running k-means++ clustering and random forest classification algorithms. Between all datasets, we found the median area fully overtaken by invasive plants was 5.37% of the park’s total area in 2022. The NPS will use the end products to help increase restoration efforts in disturbed areas with high concentrations of invasive plants. The NPS’s collection of ground data for 2022–2023, in conjunction with future data collection, will notably improve the accuracy of classification models, leading to more precise monitoring of invasive spread over time.

Carson Schuetze↗

Space Station Freedom electrical performance model

The baseline Space Station Freedom electric power system (EPS) employs photovoltaic (PV) arrays and nickel hydrogen (NiH2) batteries to supply power to housekeeping and user electrical loads via a direct current (dc) distribution system. The EPS was originally designed for an operating life of 30 years through orbital replacement of components. As the design and development of the EPS continues, accurate EPS performance predictions are needed to assess design options, operating scenarios, and resource allocations. To meet these needs, NASA Lewis Research Center (LeRC) has, over a 10 year period, developed SPACE (Station Power Analysis for Capability Evaluation), a computer code designed to predict EPS performance. This paper describes SPACE, its functionality, and its capabilities.

Hojnicki, Jeffrey S.↗

Monitoring the vernal advancement and retrogradation (green wave effect) of natural vegetation

The author has identified the following significant results. Primary emphasis during the period has been given to completing the resource and land use mask overlays for ultimate subsite MSS data extraction and analysis, refining the computer mask program, verifying resultant masks, and evaluating the initial subsite data. Standard deviations for the selected subsites were generally reduced significantly when compared to the values for the overall 7km x 7km test site areas. This indicates that the masking technique has been successful in reducing the variability of the ERTS-1 MSS data for ultimate subsite comparisons with ground data. The techniques used to locate the 7km x 7km test site areas and extract masked subsite data apparently limit the ability to reliably locate identical very small subsite areas for temporal comparisons. Current evidence indicates that areas which include less than about four pixel elements in either dimension are probably unreliable.

Rouse, J. W., Jr.↗

Dissipation Pathways in a Photosynthetic Complex

Determining how energy flows within and between molecules is crucial for understanding chemical reactions, material properties, and even vital processes such as photosynthesis. While the general principles of energy transfer are well established, elucidating the specific molecular pathways by which energy is funneled remains challenging, as it requires tracking energy flow in complex molecular environments. Here, we demonstrate how photon excitation energy is partially dissipated in the light-harvesting Fenna–Matthews–Olson (FMO) complex, mediating the excitation energy transfer from light-harvesting chlorosomes to the photosynthetic reaction center in green sulfur bacteria. Specifically, we isolate the contribution of the protein and specific vibrational modes of the pigment molecules to the energy dynamics. For this, we introduce an efficient computational implementation of a recently proposed theory of dissipation pathways for open quantum systems, based on second-order perturbation theory in the electronic couplings. Using it and a state-of-the-art FMO model with highly structured and chromophore-specific spectral densities, we demonstrate that energy dissipation is dominated by low-frequency modes (<800 cm –1 ) as their energy range is near-resonance with the energy gaps between electronic states of the pigments. We identify the most important modes for dissipation to be in-plane breathing modes (∼200 cm –1 ) of the bacteriochlorophylls in the complex. Conversely, far-detuned intramolecular vibrations with higher frequencies (>800 cm –1 ) play no role in dissipation. Interestingly, the FMO complex first needs to borrow energy from the environment to release excess photonic energy, indicating that the energy exchange between the system and thermal environment is not strictly unidirectional in time but involves a transient thermally activated step. Beyond their fundamental value, these insights can guide the development of artificial light-harvesting devices and, more broadly, engineer environments for chemical and quantum control tasks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Exciton-Defect Interaction and Optical Properties from a First-Principles T-Matrix Approach

Understanding exciton-defect interactions is critical for optimizing optoelectronic and quantum information applications in many materials. However, ab initio simulations of material properties with defects are often limited to high defect density. Here, we study effects of exciton-defect interactions on optical absorption and photoluminescence spectra in monolayer MoS 2 using a first-principles T-matrix approach. We demonstrate that exciton-defect bound states can be captured by the disorderaveraged Green’s function with the T-matrix approximation and further analyze their optical properties. Our approach yields photoluminescence spectra in good agreement with experiments and provides a new, computationally efficient framework for simulating optical properties of disordered 2D materials from firstprinciples.

T-matrix↗

Moduli axions, stabilizing moduli, and the large field swampland conjecture in heterotic M-theory

We compute the F- and D-term potential energy for the dilaton, complex structure, and Kähler moduli of realistic vacua of heterotic M-theory compactified on Calabi-Yau threefolds where, for simplicity, we choose ℎ 1,1 = ℎ 2,1 = 1. However, the formalism is immediately applicable to the “universal” moduli of Calabi-Yau threefolds with ℎ 1,1 = ℎ 1,2 > 1 as well. The F-term potential is computed using the nonperturbative complex structure, gaugino condensate and “world sheet instanton” superpotentials in theories in which the hidden sector contains an anomalous U⁡(1) structure group. The Green-Schwarz anomaly cancellation induces inhomogeneous “axion” transformations for the imaginary components of the dilaton and Kähler modulus—which then produce a D-term potential. V D is a function of the real components of the dilaton and Kähler modulus (s and t) that is minimized and precisely vanishes along a unique line in the s–t plane. Excitations transverse to this line have a mass m anom which is an explicit function of t. The F-term potential energy is then evaluated along the V D = 0 line. For values of t small enough that m anom ≳ M U —where M U is the compactification scale—we plot V F for a realistic choice of coefficients as a function of the Pfaffian parameter p. We find values of p for which V F has a global minimum at negative or zero vacuum density or a metastable minimum with positive vacuum density. In all three cases, the s, t, and associated “axion” moduli are completely stabilized. Finally, we show that, for any of these vacua, the large t behavior of the potential energy satisfies the “large scalar field” Swampland conjecture.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗