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DOE OSTI2024

Specialization Restricts the Evolutionary Paths Available to Yeast Sugar Transporters

Functional innovation at the protein level is a key source of evolutionary novelties. The constraints on functional innovations are likely to be highly specific in different proteins, which are shaped by their unique histories and the extent of global epistasis that arises from their structures and biochemistries. These contextual nuances in the sequence–function relationship have implications both for a basic understanding of the evolutionary process and for engineering proteins with desirable properties. Here, we have investigated the molecular basis of novel function in a model member of an ancient, conserved, and biotechnologically relevant protein family. These Major Facilitator Superfamily sugar porters are a functionally diverse group of proteins that are thought to be highly plastic and evolvable. By dissecting a recent evolutionary innovation in an α-glucoside transporter from the yeast Saccharomyces eubayanus, we show that the ability to transport a novel substrate requires high-order interactions between many protein regions and numerous specific residues proximal to the transport channel. To reconcile the functional diversity of this family with the constrained evolution of this model protein, we generated new, state-of-the-art genome annotations for 332 Saccharomycotina yeast species spanning ~400 My of evolution. By integrating phylogenetic and phenotypic analyses across these species, we show that the model yeast α-glucoside transporters likely evolved from a multifunctional ancestor and became subfunctionalized. The accumulation of additive and epistatic substitutions likely entrenched this subfunction, which made the simultaneous acquisition of multiple interacting substitutions the only reasonably accessible path to novelty.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2026

A Modular Conjugate Heat Transfer Optimization Framework for Thermal Management of Electric Aircraft

Conjugate heat transfer (CHT) analysis and optimization is a powerful method for improving thermal management, as it simultaneously resolves the temperature distribution in both fluid and solid domains. This paper presents a modular, discrete adjoint-based CHT optimization capability integrated within the OpenMDAO/MPhys framework. A unique feature of the proposed framework is its flexibility to extend to multidisciplinary optimization, including aero-structural-thermal applications. The fluid domain is modeled using a finite-volume Computational Fluid Dynamics (CFD) solver, and the solid domain with a conduction heat transfer solver. A mixed Neumann-Dirichlet boundary condition is developed to enable full submersion of the solid geometry within the fluid domain, while ensuring consistent temperature and heat flux coupling at the CHT interface. Gradient-based optimization is performed; the gradients are efficiently computed using the discrete adjoint solvers implemented in DAFoam. To demonstrate the method, this paper considers two cases related to electric aircraft thermal management: a U-bend heat exchanger and an actively cooled battery pack. The U-bend case aims to minimize pressure loss while maximizing heat flux by changing the pipe geometry. The optimized design reduces pressure loss by 52.7% and increases total heat flux by 2.3%. In the battery pack case, a 3-by-3 cell configuration is cooled by ambient airflow, with constant heat generation prescribed in the cells. The battery casing shape serves as the design variable, and the objective function is a weighted sum of pressure loss and pack weight, subject to a maximum temperature constraint. The optimized design achieves a 44.6% reduction in pressure loss and a 1.5% reduction in weight, while satisfying the thermal constraint. To ensure the reliability of the optimized designs, this study validates coarse-mesh, steady-state predictions against fine-mesh unsteady simulations, demonstrating consistency within acceptable errors. This work demonstrates the potential of the developed framework to enable rapid, high-fidelity design of thermal management systems for electric aircraft.

heat transfer↗

DOE OSTI2022

Patterns and ecological drivers of viral communities in acid mine drainage sediments across Southern China

Recent advances in environmental genomics have provided unprecedented opportunities for the investigation of viruses in natural settings. Yet, our knowledge of viral biogeographic patterns and the corresponding drivers is still limited. Here, we perform metagenomic deep sequencing on 90 acid mine drainage (AMD) sediments sampled across Southern China and examine the biogeography of viruses in this extreme environment. The results demonstrate that prokaryotic communities dictate viral taxonomic and functional diversity, abundance and structure, whereas other factors especially latitude and mean annual temperature also impact viral populations and functions. In silico predictions highlight lineage-specific virus-host abundance ratios and richness-dependent virus-host interaction structure. Further functional analyses reveal important roles of environmental conditions and horizontal gene transfers in shaping viral auxiliary metabolic genes potentially involved in phosphorus assimilation. Our findings underscore the importance of both abiotic and biotic factors in predicting the taxonomic and functional biogeographic dynamics of viruses in the AMD sediments.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1973

Bayesian estimation of life parameters in the Weibull distribution.

Development of a Bayesian analysis of the scale and shape parameters in the Weibull distribution and the corresponding reliability function with respect to the usual life-testing procedures. For the scale parameter theta, Bayesian estimates of theta and reliability are obtained for the uniform, exponential, and inverted gamma prior probability densities. Bhattacharya's results (1967) for the one-parameter exponential life-testing distribution are reduced to a special case of these results. A fully Bayesian analysis of both the scale and shape parameters is developed by assuming independent prior distributions; since in the latter case, analytical tractability is not possible, Bayesian estimates are obtained through a conjunction of Monte Carlo simulation and numerical-integration techniques. In both cases, a computer simulation is carried out, and a comparison is made between the Bayesian and the corresponding minimum-variance unbiased, or maximum likelihood, estimates. As expected, the Bayesian estimates are superior.

Canavos, G. C.↗

NASA NTRS1991

IRAS low-resolution spectral observations of the 10 and 18 micron silicate emission feature

The IRAS LRS Atlas contains 8-23 micron spectra of 1816 stars with silicate emission features. In order to study the shapes of the silicate dust features, the 117 stars whose emission features appear to be optically thin and which have the best signal-to-noise ratio at the longest wavelengths were analyzed. Simple spherical dust shell models were calculated in both the optically thin and the slightly optical thick approximations. From the comparison of the predicted spectra of the dust and stellar continuum, the emissivity function Kappa(lambda) was derived. In the different stars, the shape of the 10-micron feature is either narrow or broad and it is peaked either at about 9.7 microns or at 10 microns. Either particle size effects (particles above 0.75 microns in radius) or optical depth effects (central optical depth about 1) could broaden the 10-micron feature. Chemical composition differences no doubt are also important, particularly as regards the position of the peak of the 10-micron feature. The stars with the peak at 10 microns are more closely confined to the Galactic plane than the stars with the peak at 9.7 microns. The shape of the 18-micron feature is essentially the same in all stars, and can be used to extend the interstellar extinction curve past 13 to 22 microns.

Simpson, Janet P.↗

NASA NTRS1991

SMA applications in an innovative multishot deployment mechanism

An innovative Deployment and Retraction hinge Mechanism (DARM) in the frame of a technological program is examined. The mechanism includes two restraint/release devices, which enable it to be stable in its stowed or deployed position while sustaining all associated loads, and to carry its payload by remote command. The main characteristics of the DARM are as follows: deployment and retraction movements are spring actuated; the available amount of functional sequences is almost unlimited; and no use of electrical motors is made. These features were accomplished by: the application of a special kinematic scheme to the mechanical connection between the spring motor and the swivel head arm; and the use of shape memory alloys (SMA) actuators for both release and spring recharge functions. DARM is thus a mechanism which can find many applications in the general space scenario of in-orbit maintenance and servicing. In such a frame, the DARM typical concept, which has a design close to very simple one-shot deployment mechanisms, has a good chance to replace existing analog machines. Potential items that could be moved by DARM are: booms for satellite instruments; antenna reflector tips; entire antenna reflectors; and solar panels.

Stella, D.↗

NASA NTRS1982

The dependence of single event upset on proton energy /15-590 MeV/

Low earth orbit satellite and Jupiter orbiter probe semiconductor devices may incur soft errors or single event upsets, manifested as bit flips, during exposure to such nuclear particles or heavy ions as trapped protons with energies ranging up to 1000 MeV. Experimental data is given on the average proton fluence needed to cause a bit flip as a function of proton energy for isoplanar bipolar TTL RAMs. Error dependence data shape and threshold energy can be related to the existing body of theoretical data on energy deposition following proton nuclear reactions. Experimental data also show that the relative cross sectional amplitude for functionally identical devices can be related to the device's power consumption.

Nichols, D. K.↗

NASA NTRS1939

The Frequency of Torsional Vibration of a Tapered Beam

A solution for the equation of torsional vibration of tapered beams has been found in terms of Bessel functions for beams satisfying the following conditions: (a) the cross sections along the span are similar in shape; and (b) the torsional stiffness of a section can be expressed as a power of a linear function of distance along the span. The method of applying the analysis to actual cases has been described. Charts are given from which numerical values can be immediately obtained for most cases of practical importance. The theoretical values of the frequency ratio have been experimentally checked on five beams having different amounts of taper.

Coleman, Robert↗

NASA NTRS1993

A Model with Ellipsoidal Scatterers for Polarimetric Remote Sensing of Anisotropic Layered Media

This paper presents a model with ellipsoidal scatterers for applications to polarimetric remote sensing of anisotropic layered media at microwave frequencies. The physical configuration includes an isotropic layer covering an anisotropic layer above a homogeneous half space. The isotropic layer consists of randomly oriented spheroids. The anisotropic layer contains ellipsoidal scatterers with a preferential vertical alignment and random azimuthal orientations. Effective permittivities of the scattering media are calculated with the strong fluctuation theory extended to account for the nonspherical shapes and the scatterer orientation distributions. On the basis of the analytic wave theory, dyadic Green's functions for layered media are used to derive polarimetric backscattering coefficients under the distorted Born approximation. The ellipsoidal shape of the scatterers gives rise to nonzero cross-polarized returns from the untilted anisotropic medium in the first-order approximation. Effects of rough interfaces are estimated by an incoherent addition method. Theoretical results and experimental data are matched at 9 GHz for thick first-year sea ice with a bare surface and with a snow cover at Point Barrow, Alaska. The model is then used to study the sensitivity of polarimetric backscattering coefficients with respect to correlation lengths representing the geometry of brine inclusions. Polarimetric signatures of bare and snow-covered sea ice are also simulated based on the model to investigate effects of different scattering mechanisms.

Nghiem, S. V.↗

NASA NTRS2005

Stroboscopic Interferometer for Measuring Mirror Vibrations

Stroboscopic interferometry is a technique for measuring the modes of vibration of mirrors that are lightweight and, therefore, unavoidably flexible. The technique was conceived especially for modal characterization of lightweight focusing mirror segments to be deployed in outer space; however, the technique can be applied to lightweight mirrors designed for use on Earth as well as the modal investigation of other optical and mechanical structures. To determine the modal structure of vibration of a mirror, it is necessary to excite the mirror by applying a force that varies periodically with time at a controllable frequency. The excitation can utilize sinusoidal, square, triangular, or even asynchronous waveforms. Because vibrational modes occur at specific resonant frequencies, it is necessary to perform synchronous measurements and sweep the frequency to locate the significant resonant modes. For a given mode it is possible to step the phase of data acquisition in order to capture the modal behavior over a single cycle of the resonant frequency. In order to measure interferometrically the vibrational response of the mirror at a given frequency, an interferometer must be suitably aligned with the mirror and adjustably phase-locked with the excitation signal. As in conventional stroboscopic photography, the basic idea in stroboscopic interferometry is to capture an image of the shape of a moving object (in this case, the vibrating mirror) at a specified instant of time in the vibration cycle. Adjusting the phase difference over a full cycle causes the interference fringes to vary over the full range of motion for the mode at the excitation frequency. The interference-fringe pattern is recorded as a function of the phase difference, and, from the resulting data, the surface shape of the mirror for the given mode is extracted. In addition to the interferometer and the mirror to be tested, the equipment needed for stroboscopic interferometry includes an arbitrary-function generator (that is, a signal generator), an oscilloscope, a trigger filter, and an advanced charge-coupled-device (CCD) camera. The optical components are positioned to form a pupil image of the mirror under test on the CCD chip, so that the interference pattern representative of the instantaneous mirror shape is imaged on the CCD chip.

Stahl, H. Philip↗

NASA NTRS1991

Experiences with optimizing airfoil shapes for maximum lift over drag

The goal was to find airfoil shapes which maximize the ratio of lift over drag for given flow conditions. For a fixed Mach number, Reynolds number, and angle of attack, the lift and drag depend only on the airfoil shape. This then becomes a problem in optimization: find the shape which leads to a maximum value of lift over drag. The optimization was carried out using a self contained computer code for finding the minimum of a function subject to constraints. To find the lift and drag for each airfoil shape, a flow solution has to be obtained. This was done using a two dimensional Navier-Stokes code.

Doria, Michael L.↗

DOE OSTI2021

QuantImPy: Minkowski functionals and functions with Python

The Minkowski functionals and functions are a family of morphological measures and can be used to describe both the morphology (shape) and topology (connectedness) of a system. This paper presents the QuantImPy Python package which can compute both the Minkowski functionals and functions. In addition, this package can efficiently perform basic morphological operations and compute their distance maps. QuantImPy is easy to install, well documented, integrated with existing Python packages, and open source.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1993

A study of thin liquid sheet flows

This study was a theoretical and experimental investigation of thin liquid sheet flows in vacuum. A sheet flow created by a narrow slit of width, W, coalesces to a point at a distance, L, as a result of surface tension forces acting at the sheet edges. As the flow coalesces, the fluid accumulates in the sheet edges. The observed triangular shape of the sheet agrees with the calculated triangular result. Experimental results for L/W as a function of Weber number, We, agree with the calculated result, L/W = the sq. root of 8We. The edge cross sectional shape is found to oscillate from elliptic to 'cigar' like to 'peanut' like and then back to elliptic in the flow direction. A theoretical one-dimensional model was developed that yielded only elliptic solutions for the edge cross section. At the points where the elliptic shapes occur, there is agreement between theory and experiment.

Chubb, Donald L.↗

NASA NTRS2010

Ko Displacement Theory for Structural Shape Predictions

The development of the Ko displacement theory for predictions of structure deformed shapes was motivated in 2003 by the Helios flying wing, which had a 247-ft (75-m) wing span with wingtip deflections reaching 40 ft (12 m). The Helios flying wing failed in midair in June 2003, creating the need to develop new technology to predict in-flight deformed shapes of unmanned aircraft wings for visual display before the ground-based pilots. Any types of strain sensors installed on a structure can only sense the surface strains, but are incapable to sense the overall deformed shapes of structures. After the invention of the Ko displacement theory, predictions of structure deformed shapes could be achieved by feeding the measured surface strains into the Ko displacement transfer functions for the calculations of out-of-plane deflections and cross sectional rotations at multiple locations for mapping out overall deformed shapes of the structures. The new Ko displacement theory combined with a strain-sensing system thus created a revolutionary new structure- shape-sensing technology.

Ko, William L.↗

DOE OSTI2023

Density Functional Theory Guided Investigation of Ligand‐Induced Neptunyl‐Neptunyl Interactions

Abstract Actinyl‐actinyl interactions are particularly prevalent for the pentavalent neptunyl cation (Np(V)O 2 ) + where these interactions appear either as a T ‐ or D ‐shape (diamond‐shape). T ‐shaped interactions have been previously identified in high concentration Np(V) solutions containing simple anions (NO 3 − , ClO 4 − , Cl − ) whereas D ‐shaped have only been isolated in the solid‐state in the presence of carboxylate ligands. In this study, Density Functional Theory (DFT) calculations were paired with Raman spectroscopy to evaluate the formation of D ‐shaped interactions in the presence of aliphatic (R=H (formate), CH 3 (acetate), CH 2 CH 3 (propionate)) and aromatic (R=C 6 H 5 (benzoate), C 6 H 4 OH (4‐hydroxybenzoate), C 5 H 4 N (isonicotinate)) carboxylate ligands. DFT studies indicate that the Δ G to form hydrated T ‐ and D ‐shaped forms are not spontaneous but become so with the addition of the carboxylate ligands. Raman spectra of the Np(V) carboxylate solutions contained vibrational modes associated with the D ‐shaped interactions, but spectral changes observed over time indicate a dynamic system. Crystallization experiments from the Np(V) carboxylate systems confirmed the presence of D‐ shaped dimers for the aromatic carboxylates, suggesting that the choice of the anion in solution favors actinyl‐actinyl interactions even at low concentrations (≤20 mM) of Np(V).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2003

A New Fitting Procedure for the Blended He I 1083 nm Multiplet

The He I 1083 nm multiplet is a powerful tool for observing the outer solar atmosphere but is difficult to analyze because the lines are weak, highly variable, and spectrally blended, both internally and with other neighboring solar and telluric lines. After separation from nearby spectral features, two components of the He I multiplet are resolved. Fitting these lines with two unconstrained Gaussian profiles always gives a ratio of major to minor component of less than half the value which would be expected for optically thin lines. One possibility for explaining the discrepancy between the weakness of the lines and the ratio of the spectral components is to assume that the line formation regions are concentrated in laterally unresolved, optically thick structures with small filling factor. However, we present here a least-squares fitting technique using cubic splines with fixed breakpoints with the constraint that the blend is the sum of three identically shaped profiles shifted in wavelength according to the atomic structure of the blend and weighted by the corresponding statistics weights, in agreement with optically thin line formation. The basis functions for the fitting procedure have no built-in spectral symmetry or shape. The resulting underlying profiles tend to be asymmetric with excess absorption to the blue, consistent with formation by "hot" and "cool" spatial elements within the observed volume, with the hotter regions having differential motion toward the observer. The results agree well with NASA/XSO Spectromagnetograph observations in quiet sun and coronal holes. Partial funding of this research was provided through the NASA Sun-Earth Connection SR&T program.

Jones, H. P.↗

DOE OSTI2020

Holomorphic waves of black hole microstructure

We obtain the largest families constructed to date of $$ \frac{1}{8} $$ 1 8 -BPS solutions of type IIB supergravity. They have the same charges and mass as supersymmetric D1-D5-P black holes, but they cap off smoothly with no horizon. Their construction relies on the structure of superstratum states, but allows the momentum wave to have an arbitrary shape. Each family is based on an arbitrary holomorphic function of one variable. More broadly, we show that the most general solution is described by two arbitrary holomorphic functions of three variables. After exhibiting several new families of such “holomorphic superstrata,” we reformulate the BPS backgrounds and equations in holomorphic form and show how this simplifies their structure. The holomorphic formulation is thus both a fundamental part of superstrata as well as an effective tool for their construction. In addition, we demonstrate that holomorphy provides a powerful tool in establishing the smoothness of our solutions without constraining the underlying functions. We also exhibit new families of solutions in which the momentum waves of the superstrata are highly localized at infinity but diffuse and spread into the infra-red limit in the core of the superstratum. Our work also leads to some results that can be tested within the dual CFT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Governing in Time: Temporal Capacity and the Feasibility of Energy Transitions

Energy systems function as both technological systems and temporal institutions that shape how societies coordinate, justify, and support collective choices over time. This paper introduces the concept of governance horizons to explain why energy transitions can remain morally supported yet become institutionally weak under increasing pressure. We argue that governability depends on institutions' capacity to synchronize across multiple timeframes - aligning short-term decisions with intermediate coordination and long-term commitments. When this synchronization fails, transitions struggle not because their goals are dismissed, but because governance lacks sufficient time to justify, coordinate, and uphold decisions. Comparative analysis of San Antonio, Texas, and Interior Alaska reveals how energy system pressures generate distinct temporal configurations: San Antonio exhibits governance horizon stretching, where institutions must simultaneously meet near-term reliability demands and long-term transformation goals, while Interior Alaska exhibits horizon compression, where extreme environmental constraints force decision-making into short stabilization cycles. In both contexts, public support for sustainability goals coexists with institutional strain because evaluative judgments are unevenly distributed over time. A temporal configuration analysis is introduced as a diagnostic analytic stance for identifying these patterns. By treating temporal alignment as an explanatory variable rather than a background condition, this approach clarifies how feasibility, sequencing, and legitimacy are shaped by constraints on institutional time. The analysis demonstrates that successful energy transitions depend not only on technological innovation or institutional support, but on governance systems’ ability to sustain credible coordination across multiple time horizons.

Comparative case study↗