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At least 451 records · Page 25

Photo-Switching of Protein Dynamical Collectivity

We examine changes in the picosecond structural dynamics with irreversible photobleaching of red fluorescent proteins (RFP) mCherry, mOrange2 and TagRFP-T. Measurements of the protein dynamical transition using terahertz time-domain spectroscopy show in all cases an increase in the turn-on temperature in the bleached state. The result is surprising given that there is little change in the protein surface, and thus, the solvent dynamics held responsible for the transition should not change. A spectral analysis of the measurements guided by quasiharmonic calculations of the protein absorbance reveals that indeed the solvent dynamical turn-on temperature is independent of the thermal stability/photostate however the protein dynamical turn-on temperature shifts to higher temperatures. This is the first demonstration of switching the protein dynamical turn-on temperature with protein functional state. The observed shift in protein dynamical turn-on temperature relative to the solvent indicates an increase in the required mobile waters necessary for the protein picosecond motions, that is, these motions are more collective. Melting-point measurements reveal that the photobleached state is more thermally stable, and structural analysis of related RFP’s shows that there is an increase in internal water channels as well as a more uniform atomic root mean squared displacement. These observations are consistent with previous suggestions that water channels form with extended light excitation providing O2 access to the chromophore and subsequent fluorescence loss. We report that these same channels increase internal coupling enhancing thermal stability and collectivity of the picosecond protein motions. The terahertz spectroscopic characterization of the protein and solvent dynamical onsets can be applied generally to measure changes in collectivity of protein motions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental validation of the mechanistic scale-up methodology of gas–solid spouted beds using radioactive particle tracking (RPT)

The very high-temperature reactors (VHTRs) are highly ranked among candidates of Generation IV of nuclear reactors due to their high efficiency, safety, the resistance to proliferation, and reliability. The VHTRs are preferentially fueled by Tristructural-isometric (TRISO) coated fuel particles which has fuel kernels of fissile material coated by four coating layers: a porous buffer pyrolysis carbon layer (buffer PyC), an inner dense pyrolysis carbon layer (IPyC), a silicon carbide layer (SiC) and an outer dense pyrolysis carbon layer (OPyC). The heart of the operation and safety of the VHTRs significantly depends on the reliability of the coating layers of TRISO particles to retain metallic and gaseous fission products within the particles. The technique used for coating TRISO particles are gas-solids spouted beds via chemical vapor deposition (CVD). Fabrication of high-quality low-defect TRISO fuel particles fuel at larger scale spouted beds is required to support the commercialization of the VHTRs. In this work, our new developed mechanistic scale-up methodology of gas-solids spouted beds based on matching the radial profile of gas-holdup has been demonstrated and validated using radioactive particle tracking (RPT). Two spouted beds of small and larger scales were used in the study. Three sets of conditions were carried out which include the conditions of the reference case in the large scale, conditions that provide similar gas holdup radial profile to that of the reference case and conditions that provided dissimilar gas holdup radial in the small-scale spouted beds. The results confirm the validation of the scale-up methodology in terms of the dimensionless values of the spout diameter, cumulative probability distribution of the solids particles penetration into the spout, fraction of cycle time in each region of the bed, the radial profiles of the dimensionless values of the root-mean-square particle velocities and solids eddy diffusivity. Finally, the results further advance the knowledge and understanding of the gas-solids spouted beds provide deeper insight into their solids dynamics and presenting important benchmarking data for validating computational fluid dynamics codes and models. At last, procedures are established for the implementation of the new scale-up methodology.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Grey-box and ANN-based building models for multistep-ahead prediction of indoor temperature to implement model predictive control

Model-based predictive control (MPC) strategies for heating, ventilation, and air-conditioning (HVAC) systems present an opportunity to lower building energy consumption and operational costs. Such approaches rely on the development of a model to precisely forecast building thermal dynamics, such as room air temperature or heating/cooling rate, and make control-related decisions. The control-oriented modeling of building energy systems should be accurate in predicting indoor conditions and present low computational complexity. These features are the key challenge of implementing advanced control methods such as MPC. Extant studies on building modeling for MPC have focused on step-ahead forecasting techniques to forecast building thermal dynamics, while multistep-ahead forecasting is essential. Moreover, machine learning model suitable in case of the domain-based engineering expertise are also not available. To this aim, we perform a comparative analysis of the grey-box model based on a resistance-capacitance (RC) thermal network and a machine learning model composed of an artificial neural network (ANN) for multistep-ahead prediction of building thermal dynamics using current and historical data. Actual experimental data obtained from the Flexible Research Platform (FRP) in Oak Ridge National Laboratory (US) are used for estimation and validation purposes. The average root mean squared error (RMSE) of the grey-box and ANN models are 0.89 °C and 1.02°C, respectively. Finally, the results indicate that the grey-box model outperforms the ANN model in the considered validation periods in terms of accuracy and prediction stability.

42 ENGINEERING↗

Dynamic loading of aircraft surfaces due to jet exhaust impingement

High-lift wing concepts being considered for application to commercial STOL transports are discussed. The flow patterns which produce dynamic loads on these wings are indicated. Measurements of surface pressure and acceleration on a one-half-scale model of an externally blown double-slotted flap are reported. Root-mean-square values, power spectra, and scaling parameters are shown.

Lansing, D. L.↗

Study of design and control of remote manipulators. Modeling manipulator arms with distributed flexibility for design and control

The interactions of control system and distributed flexible structural dynamics is explored for mechanical arms. A modeling process using 4 x 4 transfer matrices is described which permits the closed loop response of many current arm configurations to be evaluated. Root locus, frequency response, modal shapes, and time impulse response have all been obtained from the digital computer implementation of this model, which is oriented to arm design and allows for easy variation of the arm configuration through data cards. The model corresponds with experimentally observed natural frequencies with an average error of less than 5% in the first three flexible modes in the seven cases considered. The model was used to explore the limits imposed by structural flexibility on a nondimensionalized two link arm with one and two joints for planar motion.

Book, W. J.↗

Experimental validation of optimization-based integrated controls-structures design methodology for flexible space structures

An optimization-based integrated design approach for flexible space structures is experimentally validated using three types of dissipative controllers, including static, dynamic, and LQG dissipative controllers. The nominal phase-0 of the controls structure interaction evolutional model (CEM) structure is redesigned to minimize the average control power required to maintain specified root-mean-square line-of-sight pointing error under persistent disturbances. The redesign structure, phase-1 CEM, was assembled and tested against phase-0 CEM. It is analytically and experimentally demonstrated that integrated controls-structures design is substantially superior to that obtained through the traditional sequential approach. The capability of a software design tool based on an automated design procedure in a unified environment for structural and control designs is demonstrated.

Maghami, Peiman G.↗

Active Vertical Tail Buffeting Alleviation on an F/A-18 Model in a Wind Tunnel

A 1/6-scale F-18 wind-tunnel model was tested in the Transonic Dynamics Tunnel at the NASA Langley Research Center as part of the Actively Controlled Response Of Buffet-Affected Tails (ACROBAT) program to assess the use of active controls in reducing vertical tail buffeting. The starboard vertical tail was equipped with an active rudder and other aerodynamic devices, and the port vertical tail was equipped with piezoelectric actuators. The tunnel conditions were atmospheric air at a dynamic pressure of 14 psf. By using single-input-single-output control laws at gains well below the physical limits of the control effectors, the power spectral density of the root strains at the frequency of the first bending mode of the vertical tail was reduced by as much as 60 percent up to angles of attack of 37 degrees. Root mean square (RMS) values of root strain were reduced by as much as 19 percent. Stability margins indicate that a constant gain setting in the control law may be used throughout the range of angle of attack tested.

Moses, Robert W.↗

Active Vertical Tail Buffeting Alleviation on a Twin-Tail Fighter Configuration in a Wind Tunnel

A 1/6-scale F-18 wind-tunnel model was tested in the Transonic Dynamics Tunnel at the NASA Langley Research Center as part of the Actively Controlled Response Of Buffet-Affected Tails (ACROBAT) program to assess the use of active controls in reducing vertical tail buffeting. The starboard vertical tail was equipped with an active rudder and other aerodynamic devices, and the port vertical tail was equipped with piezoelectric actuators. The tunnel conditions were atmospheric air at a dynamic pressure of 14 psf. By using single-input-single-output control laws at gains well below the physical limits of the control effectors, the power spectral density of the root strains at the frequency of the first bending mode of the vertical tail was reduced by as much as 60 percent up to angles of attack of 37 degrees. Root mean square (RMS) values of root strain were reduced by as much as 19 percent. Stability margins indicate that a constant gain setting in the control law may be used throughout the range of angle of attack tested.

Moses, Robert W.↗

Modeling the Self-organized Critical Behavior of Earth's Plasma Sheet Reconnection Dynamics

Analyses of Polar UVI auroral image data show that bright night-side high-latitude W emissions exhibit so many of the key properties of systems in self-organized criticality that an alternate interpretation has become virtually impossible. These analyses will be reviewed. It is now necessary to find and model the source of this behavior. We note that the most common models of self-organized criticality are numerical sandpiles. These are, at root, models that govern the transport of some quantity from a region where it is loaded to another where it is unloaded. Transport is enabled by the excitation of a local threshold instability; it is intermittent and bursty, and it exhibits a number of scale-free statistical properties. Searching for a system in the magnetosphere that is analogous and that, in addition, is known to produce auroral signatures, we focus on the reconnection dynamics of the magnetotail plasma sheet. In our previous work, a driven reconnection model has been constructed and has been under study. The transport of electromagnetic (primarily magnetic) energy carried by the Poynting flux into the reconnection region of the model has been examined. All of the analysis techniques (and more) that have been applied to the auroral image data have also been applied to this Poynting flux. New results will be presented showing that this model also exhibits so many of the key properties of systems in self-organized criticality that an alternate interpretation is implausible. A strong correlation between these key properties of the model and those of the auroral UV emissions will be demonstrated. We suggest that, in general, the driven reconnection model is an important step toward a realistic plasma physical model of self-organized criticality and we conclude, more specifically, that it is also a step in the right direction toward modeling the multiscale reconnection dynamics of the magnetotail.

Klimas, Alexander J.↗

Evaluating the effects of heatwave events on hydrological processes in the contiguous United States (2003–2022)

Extreme heat and drought conditions are affecting water availability in many regions worldwide, leading to negative impacts on human societies, agriculture, and ecosystems. However, current research lacks comprehensive spatiotemporal analysis examining the interplay between multiple hydrological factors and heatwave events, especially in the context of climate change. This research broadly pertains to understanding the dynamics of hydrological factors and their potential responses to heatwave during warm seasons across the contiguous United States for the period from 2003 to 2022. Utilizing data from the Global Land Data Assimilation System (GLDAS), we analyzed surface runoff, evapotranspiration (ET), precipitation, Groundwater Storage (GWS), Root Zone Soil Moisture (RZSM), and Total Water Storage (TWS) to discern annual patterns and the impacts of heatwave. Further, the spatial patterns of heatwave highlighted a higher occurrence in the western, central, and northeastern U.S., with longer average durations in the western and south-central regions. These events are predominantly dry, characterized by low Relative Humidity (RH), except in the southeastern U.S., where heatwave coincide with high RH levels. Post-heatwave analysis indicated a reduction in GWS, TWS, RZSM, and ET, alongside an increase in surface runoff, RH, and precipitation. An in-depth examination of rainfall and temperature dynamics during heatwave revealed weak correlations between rainfall and temperature, as well as between rainfall and heatwave duration, highlighting the complex nature of these interactions. The study also found an enhanced probability of rainfall following heatwave, particularly in the eastern regions, drawing attention to the potential for increased flood risks post-heatwave. Our findings contribute to the growing body of knowledge on the impacts of heatwave on hydrological factors, providing valuable insights for climate change adaptation and water resource management strategies.

54 ENVIRONMENTAL SCIENCES↗

Towards an Understanding of Oxidative Damage in an a-L-Arabinofuranosidase of Trichoderma reesei : a Molecular Dynamics Approach

Trichoderma reesei is a ‘workhorse’ fungus that produces glycosyl hydrolases (e.g., cellulases) at high titers for use in industrial bioprocessing. In this study, we focused on two side-chain hemicellulases, a-L-arabinofuranosidases and a-D-galactosidases, which are important for the treatment of lignocellulosic biomass, but susceptible to oxidative damage that can occur during industrial processing. The molecular details that render these enzymes inactive have not yet been identified. To approach this issue, we used proteomics to identify amino acid residues that were oxidized after a relevant oxidative treatment (Fenton reaction). These oxidative modifications were included in the 3D-protein structures, and using molecular dynamics simulations, we then studied the behaviors of non-modified and oxidized enzymes. These simulations showed significant alterations of the conformational stability of proteins when oxidized, as evidenced by changes in root mean square deviation (RMSD) and principal component analyses (PCA) trajectories. Likewise, enzyme-ligand interactions such as hydrogen bonds were greatly reduced in quantity and quality in the oxidized proteins. Finally, free energy landscape plots showed that there was a more rugged energy surface in the oxidized proteins, implying a less favorable reaction pathway. These results reveal the basis for loss of function in these carbohydrate active enzymes (CAZYs) in T. reesei.

60 APPLIED LIFE SCIENCES↗

Estimating evapotranspiration from deciduous broadleaf forests by considering the effect of foliar litter

Forest litter cover significantly alters the ground surface resistance, which influences the water and energy transfer processes between the land surface and atmosphere. Penman-Monteith (PM) model is widely used to estimate land surface evapotranspiration (ET). However, it was shown to overestimate ET during the period when foliar litter covers the ground surface. Therefore, incorporating the effect of foliar litter on ground surface resistance can potentially improve ET estimates. Here, in this study, we proposed a foliar litter surface resistance model to describe the effect of litter cover on water vapor transport, then incorporated the litter surface resistance into the PM model (noted as PM-EL model). The performance of the PM-EL model was evaluated using observations from 18 deciduous broadleaf forest (DBF) flux sites across global FLUXNET2015 datasets. Results showed that: (1) both the PM model and the PM-EL model are most sensitive to ground surface resistance among resistance parameters; (2) the proposed litter resistance model is capable of describing the seasonal dynamic of litter in DBF ; (3) the PM-EL model, has been shown to improve ET estimates with the coefficient of determination increased by 8.5 %, the mean absolute error and relative root mean square error decreased by 22.1 % and 20.9 %, respectively. The study contributes to our understanding of the effect of litter cover on ET estimation and provides insights into forest ecohydrology and land surface mass and energy transfer processes.

Deciduous Broadleaf Forest↗

Non-Destructive, Three-Dimensional Imaging of Processes in the Rhizosphere Utilizing High Energy Photons

Soil structure, which can be described as the aggregation and distribution of pore spaces, regulates carbon, nutrient, and water cycling across the Earth system. Yet the inability to make quantitative, dynamic, in situ measurements of soil structure and rhizosphere carbon flow has prevented meaningful incorporation of soil structural processes into Earth System Models (ESMs). The key limitations are: (i) Lack of scale integration between micron-scale soil structure and ecosystem-scale models, (ii) Poor functional linkage between soil structural properties and biogeochemical processes, and (iii) Absence of dynamic 3D measurements of rhizosphere structural changes and carbon transformations. To address these challenges, we developed a new integrated positron emission tomography (PET) - microcomputed tomography (CT) imaging platform that enables the first 4D (spatial 3D and time), non-invasive, quantitative imaging of carbon allocation and rhizosphere structural dynamics in living plants and intact soils. The system combines: • Rhizo-PET (R-PET): a high-resolution positron emission tomography scanner optimized for 11 CO 2 tracing in plant roots. • a-Se micro-CT: a high-contrast, high-spatial resolution CT system based on amorphous selenium (a-Se) direct conversion technology, enabling micron-scale visualization of soil structure and root–soil interfaces. Together, these advances allow us to quantify how carbon exudates move, transform, and stabilize within the rhizosphere, directly informing missing processes in BER-relevant carbon cycle models.

42 ENGINEERING↗

The role of rotor impedance in the vibration analysis of rotorcraft, part 4

A method for a strongly idealized case of vertical excitation and for rolling and pitching moment excitation of a four bladed hingeless rotor on an up-focussing flexible mount is developed. The aeroelastic rotor impedances are computed directly with a finite blade element method that includes aerodynamics. The rotor impedance matrix for three or more blades is determined from the root moment impedance for a single blade by a simple multiblade transformation rule. Force and moment amplitudes transferred from the rotor to support are found to be critically dependent on the support dynamics.

Hohenemser, K. H.↗

Gravity model development for TOPEX/POSEIDON: Joint gravity models 1 and 2

The TOPEX/POSEIDON (T/P) prelaunch Joint Gravity Model-1 (JGM-1) and the postlaunch JGM-2 Earth gravitational models have been developed to support precision orbit determination for T/P. Each of these models is complete to degree 70 in spherical harmonics and was computed from a combination of satellite tracking data, satellite altimetry, and surface gravimetry. While improved orbit determination accuracies for T/P have driven the improvements in the models, the models are general in application and also provide an improved geoid for oceanographic computations. The postlaunch model, JGM-2, which includes T/P satellite laser ranging (SLR) and Doppler orbitography and radiopositioning integrated by satellite (DORIS) tracking data, introduces radial orbit errors for T/P that are only 2 cm RMS with the commission errors of the marine geoid for terms to degree 70 being +/- 25 cm. Errors in modeling the nonconservative forces acting on T/P increase the total radial errors to only 3-4 cm root mean square (RMS), a result much better than premission goals. While the orbit accuracy goal for T/P has been far surpassed geoid errors still prevent the absolute determination of the ocean dynamic topography for wavelengths shorter than about 2500 km. Only a dedicated gravitational field satellite mission will likely provide the necessary improvement in the geoid.

Nerem, R. S.↗

Geospace Environment Modeling 2008-2009 Challenge: Ground Magnetic Field Perturbations

Acquiring quantitative metrics!based knowledge about the performance of various space physics modeling approaches is central for the space weather community. Quantification of the performance helps the users of the modeling products to better understand the capabilities of the models and to choose the approach that best suits their specific needs. Further, metrics!based analyses are important for addressing the differences between various modeling approaches and for measuring and guiding the progress in the field. In this paper, the metrics!based results of the ground magnetic field perturbation part of the Geospace Environment Modeling 2008 2009 Challenge are reported. Predictions made by 14 different models, including an ensemble model, are compared to geomagnetic observatory recordings from 12 different northern hemispheric locations. Five different metrics are used to quantify the model performances for four storm events. It is shown that the ranking of the models is strongly dependent on the type of metric used to evaluate the model performance. None of the models rank near or at the top systematically for all used metrics. Consequently, one cannot pick the absolute winner : the choice for the best model depends on the characteristics of the signal one is interested in. Model performances vary also from event to event. This is particularly clear for root!mean!square difference and utility metric!based analyses. Further, analyses indicate that for some of the models, increasing the global magnetohydrodynamic model spatial resolution and the inclusion of the ring current dynamics improve the models capability to generate more realistic ground magnetic field fluctuations.

Pulkkinen, A.↗

The Role of Water in the Stability of Cratonic Keels

Cratons are typically underlain by large, deep, and old lithospheric keels (to greater than 200 km depth, greater than 2.5 Ga old) projecting into the asthenosphere (e.g., Jordan, 1978; Richardson et al., 1984). This has mystified Earth scientists as the dynamic and relatively hot asthenosphere should have eroded away these keels over time (e.g., Sleep, 2003; O'Neill et al., 2008; Karato, 2010). Three key factors have been invoked to explain cratonic root survival: 1) Low density makes the cratonic mantle buoyant (e.g., Poudjom Djomani et al., 2001). 2) Low temperatures (e.g., Pollack, 1986; Boyd, 1987), and 3) low water contents (e.g., Pollack, 1986), would make cratonic roots mechanically strong. Here we address the mechanism of the longevity of continental mantle lithosphere by focusing on the water parameter. Although nominally anhydrous , olivine, pyroxene and garnet can accommodate trace amounts of water in the form of H bonded to structural O in mineral defects (e.g., Bell and Rossman, 1992). Olivine softens by orders of magnitude if water (1-1000 ppm H2O) is added to its structure (e.g., Mackwell et al., 1985). Our recent work has placed constraints on the distribution of water measured in peridotite minerals in the cratonic root beneath the Kaapvaal in southern Africa (Peslier et al., 2010). At P greater than 5 GPa, the water contents of pyroxene remain relatively constant while those of olivine systematically decrease from 50 to less than 10 ppm H2O at 6.4 GPa. We hypothesized that at P greater than 6.4 GPa, i.e. at the bottom of the cratonic lithosphere, olivines are essentially dry (greater than 10 ppm H2O). As olivine likely controls the rheology of the mantle, we calculated that the dry olivines could be responsible for a contrast in viscosity between cratonic lithosphere and surrounding asthenosphere large enough to explain the resistance of cratonic root to asthenospheric delamination.

Peslier, Anne H.↗

Unobtrusive Software and System Health Management with R2U2 on a Parallel MIMD Coprocessor

Dynamic monitoring of software and system health of a complex cyber-physical system requires observers that continuously monitor variables of the embedded software in order to detect anomalies and reason about root causes. There exists a variety of techniques for code instrumentation, but instrumentation might change runtime behavior and could require costly software re-certification. In this paper, we present R2U2E, a novel realization of our real-time, Realizable, Responsive, and Unobtrusive Unit (R2U2). The R2U2E observers are executed in parallel on a dedicated 16-core EPIPHANY co-processor, thereby avoiding additional computational overhead to the system under observation. A DMA-based shared memory access architecture allows R2U2E to operate without any code instrumentation or program interference.

Schumann, Johann↗