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IRMA

IRMA (In)elastic Representation of Materials As S(α,β) evaluations IRMA turns one phonon model into three outputs that usually require three separate tool chains: an evaluated nuclear-data file, predicted neutron-scattering spectra, and scattering kernels for Monte Carlo transport. The three outputs draw on a single, consistent description of the material, so the evaluation, the spectroscopy that can validate it, and the transport that uses it always agree about the physics. Nuclear data. IRMA writes ENDF-6 File 7 thermal scattering evaluations on automatically constructed (α, β) grids. This part reimplements and generalizes NJOY's LEAPR: the classic kernels reproduce freshly generated NJOY2016 tapes digit for digit and published reference tapes to about 1e-4, and the generalized paths add the exact coherent one-phonon term, anisotropic Debye-Waller tensors, coherent elastic for arbitrary crystals, and a per-species partition for polyatomic materials. The tapes feed NJOY, AMPX, FUDGE, and every transport code downstream of them. Neutron spectroscopy. The irma.spectra forward model projects the same physics onto an instrument's kinematics and resolution: INS spectra for VISION and generic indirect geometries, and 2-D S(Q,E) powder maps for direct-geometry spectrometers, from a phonopy model or straight from a phonon DOS. It can be used to predict a proposed measurement before beam time; in analysis, it supplies the calculated single-scattering counterpart of a measured spectrum, from the same material description the evaluation was built from. Monte Carlo transport. The irma.ncrystal exporter writes per-temperature scattering kernels for the companion NCrystal plugin, so McStas, OpenMC, and other NCrystal-aware codes sample the same physics. The exported kernels carry the per-site anisotropic Debye-Waller tensors, keeping directional coherent-elastic physics that NCrystal's standard scalar treatment does not represent. With the same physics inside a transport code, an entire beamline becomes a virtual experiment: IRMA's end-to-end validation ran a custom McStas implementation of the ARCS spectrometer, assembled from the existing McVine and McStas models, against measured data. From a bare crystal structure. The irma mlip front end builds the phonon model itself: a structure file and a choice of potential are enough. Nine pretrained machine-learned interatomic potentials are supported, on a laptop CPU, with no first-principles calculation; an approximate phonon model for a new material costs minutes, not a DFT campaign, and the build emits prefilled inputs for all three outputs. The result is a good starting point rather than a finished evaluation: survey-quality physics with every parameter exposed for review. A converged atomistic calculation enters the same way, as a phonopy model, when higher fidelity is needed.

Ramic, Kemal [Oak Ridge National Laboratory (ORNL)↗

XV-15 Structural-Acoustic Data

Tiltrotor aircraft are a potentially viable means of intercity travel. The tiltrotor is able to transport passengers relatively quickly from the center of a city to destinations within a 300-mile radius. For such vehicles to be commercially viable, the interior noise and vibration levels must be acceptable to the passengers. A review of the literature revealed very little structural-acoustic data related to the tiltrotor. For this reason, structural-acoustic measurements were taken aboard an XV-15 tiltrotor. The six flight conditions included five in level flight, nominally 140-220 knots, for airplane mode (nacelle at 0 degrees) and one out-of-ground-effect (OGE) hover (nacelle at 90 degrees). The flight test measurements included nine exterior surface pressures, five structural accelerations, and two interior pressures. These sensors were located near the tip path plane on the port side of the aircraft. One minute of data was acquired at each condition. The data is presented as time histories, autospectra, coherence functions, and cross-spectra. In general, for level flight, the measured data showed very little effect of forward flight speed except to change the amplitude of the response; however, the character of the response was found to be dependent on spatial location. In contrast, in the hover mode the spatial location had very little effect on the character of the response. Additionally, the report highlights: the coherence between the transducer data and the rotor tach signal; and transfer function calculations between the exterior pressures.

Lyle, Karen H.↗

Stability Analysis of the Flow Over a Swept Forward-Facing Step Using PIV Base Flows

Step excrescences are a type of surface imperfection encountered on swept wings of commercial aircraft, commonly because accessibility requirements prevent creating the wing’s surface from a single panel. If the step height is too large, super-critical, the flow can undergo an early transition to turbulence, which can be highly detrimental for the performance of the wing. In the case of a forward-facing step on a swept wing in a low-disturbance environment, stationary crossflow vortices can develop a significant amplitude upstream of the step and hence dominate the structure of the boundary-layer flow over the step. The main goal of the present investigation is to illuminate the path to transition supported by the fascinatingly complex flow field in the direct downstream vicinity of a step with a super critical height. The high-resolution, stereographic Particle Image Velocimetry (PIV) measurement dataset presently available for this flow field provides a complete description of the laminar flow for the execution of BiGlobal stability analysis in a plane parallel to the step. Although the notorious sensitivity of stability results to the description of the base flow demands a very careful uncertainty analysis of those results, it is argued that this very fact can be leveraged to produce new insight into the supported perturbation dynamics. In performing the analysis, several unsteady mode families are discovered that display the explosive perturbation expected for early transition to be induced. In considering domain widths equal to an integer-multiple of the incident crossflow-vortex wavelength and analyzing an extent of 5 crossflow-vortex wavelengths parallel to the step, it is found that the stability results converge while increasing the domain width. It is demonstrated, moreover, that the results for the wider domains can be approximated by appropriately averaging the results on neighboring single-crossflow-vortex-wavelength domains covering the same region. Besides being useful for computational purposes, this observed property suggests interpreting the instability mechanism as a distorted primary mechanism rather than a “proper” secondary mechanism. This follows in the context of the secondary in-stability analysis of three-dimensional boundary layers, because the secondary mechanism is usually characterized by being localized in a pocket of strong shear, while the distorted primary mechanism typically has an infinite support in the direction parallel to the step. Even though the growth rates are found to be sensitive to the interrogation-window size inherent to the PIV post-processing procedure, the spatial structure of the eigenfunctions is found to be relatively insensitive. Lastly, the spatial structure of the eigenfunctions corresponding to all velocity components are matched with the shape functions determined by computing the Spectral Proper Orthogonal Decomposition (SPOD) of a time-resolved measurement of the perturbation content.

forward-facing step↗

An experimental study of transmission, reflection and scattering of sound in a free jet flight simulation facility and comparison with theory

When a free jet (or open jet) is used as a wind tunnel to simulate the effects of flight on model noise sources, it is necessary to calibrate out the effects of the free jet shear layer on the transmitted sound, since the shear layer is absent in the real flight case. In this paper, a theoretical calibration procedure for this purpose is first summarized; following this, the results of an experimental program, designed to test the validity of the various components of the calibration procedure, are described. The experiments are conducted by using a point sound source located at various axial positions within the free jet potential core. By using broadband excitation and cross-correlation methods, the angle changes associated with ray paths across the shear layer are first established. Measurements are then made simultaneously inside and outside the free jet along the proper ray paths to determine the amplitude changes across the shear layer. It is shown that both the angle and amplitude changes can be predicted accurately by theory. It is also found that internal reflection at the shear layer is significant only for large ray angles in the forward quadrant where total internal reflection occurs. Finally, the effects of sound absorption and scattering by the shear layer turbulence are also examined experimentally.

Ahuja, K. K.↗

System Analysis and Performance Benefits of an Optimized Rotorcraft Propulsion System

The propulsion system of rotorcraft vehicles is the most critical system to the vehicle in terms of safety and performance. The propulsion system must provide both vertical lift and forward flight propulsion during the entire mission. Whereas propulsion is a critical element for all flight vehicles, it is particularly critical for rotorcraft due to their limited safe, un-powered landing capability. This unparalleled reliability requirement has led rotorcraft power plants down a certain evolutionary path in which the system looks and performs quite similarly to those of the 1960 s. By and large the advancements in rotorcraft propulsion have come in terms of safety and reliability and not in terms of performance. The concept of the optimized propulsion system is a means by which both reliability and performance can be improved for rotorcraft vehicles. The optimized rotorcraft propulsion system which couples an oil-free turboshaft engine to a highly loaded gearbox that provides axial load support for the power turbine can be designed with current laboratory proven technology. Such a system can provide up to 60% weight reduction of the propulsion system of rotorcraft vehicles. Several technical challenges are apparent at the conceptual design level and should be addressed with current research.

Bruckner, Robert J.↗

Maintaining Microstructure – The Path to Successful Technology Maturation in Fluidized Systems

Scaling circulating fluidized bed risers has been a point of contention for nearly a century. There have been numerous attempts to define various methodologies. These have all fallen short of providing a robust approach, primarily due to a lack of maintaining microstructure dynamics – a key factor in maintain interphase heat and mass transfer. Recent work by the author put forward an approach based up maintaining dynamic similarity at different scales by ensuring that the microstructure remained similar by maintaining statistical and chaotic parameters across the scale. That work relied on a dimensionless regime map in which the x-axis was defined by the ratio of the solids flux to the saturation carrying capacity. This latter property was only good within the range of the data and it became evident that extrapolation beyond the limits of the data could induce unrealistic conditions. Therefore, literature was reviewed to develop a better correlation for the saturation carrying capacity. In doing so, a critical diameter concept was developed and applied to the correlations for both Geldart Group A and B materials. The critical diameter for Geldart Group A and B materials is 0.2 m and 0.3 m, respectively. The paper then gives examples on how to use the scaling approach to maintain dynamic similarity across the scales.<br>

Breault, Ronald↗

Predictor symbology in computer-generated pictorial displays

The display under investigation, is a tunnel display for the four-dimensional commercial aircraft approach-to-landing under instrument flight rules. It is investigated whether more complex predictive information such as a three-dimensional perspective vehicle symbol, predicting the future vehicle position as well as future vehicle attitude angles, contributes to a better system response, and suitable predictor laws for the predictor motions, are formulated. Methods for utilizing the predictor symbol in controlling the forward velocity of the aircraft in four-dimensional approaches, are investigated. The simulator tests show, that the complex perspective vehicle symbol yields improved damping in the lateral response as compared to a flat two-dimensional predictor cross, but yields generally larger vertical deviations. Methods of using the predictor symbol in controlling the forward velocity of the vehicle are shown to be effective. The tunnel display with superimposed perspective vehicle symbol yields very satisfactory results and pilot acceptance in the lateral control but is found to be unsatisfactory in the vertical control, as a result of too large vertical path-angle deviations.

Grunwald, A. J.↗

Flow Visualization Study of the F-14 Fighter Aircraft Configuration

Water tunnel studies were performed to qualitatively define the flow field of the F-14. Particular emphasis was placed on defining the vortex flows generated at high angles of attack. The flow visualization tests were conducted in the Northrop water tunnel using a 1/72 scale model of the F-14 with a wing leading-edge sweep of 20 deg. Flow visualization photographs were obtained for angles of attack up to 55 deg and sideslip angles up to 10 deg. The F-14 model was investigated to determine the vortex flow field development, vortex path, and vortex breakdown characteristics as a function of angle of attack and sideslip. Vortex flows were found to develop on the highly swept glove and on the upper surface of the forebody. At 10 deg of sideslip, the windward glove vortex shifted inboard and broke down farther forward than the leeward glove vortex. This asymmetric breakdown of the vortices in sideslip contributes to a reduction in the lateral stability above 20 deg angle of attack. The initial loss of directional stability is a consequence of the adverse sidewash from the windward vortex and the reduced dynamic pressure at the vertical tails.

Lorincz, D. J.↗

The ARADS Project as an Astrobiological Survey Mission Prototype

An astrobiological survey prior to human arrival will be important for preservation of signs of any existing or past evidence of Martian life, to reduce the risk of unintentional forward contamination of Martian environments in which terrestrial microbes might be able to gain a foothold (e.g., [1]), and to potentially protect the health of any human crews and enable their safe return to Earth. Evaluating for the presence of life and biosignatures may become a critical-path Mars exploration precursor in the not-so-far future, circa 2030-35. The near-subsurface, with its potential combination of volatiles, vapor exchange with the surface, and shelter from surface radiation, will be a primary initial target for in-situ astrobiological investigation. Sample acquisition, drilling and sample handling are key elements of robotic missions that target the subsurface [2], as well as near-surface ground ice deposits. In the mid 2000s, the Mars Astrobiology Field Laboratory (AFL) was proposed as a follow-on mission concept to the Mars Science Laboratory (MSL)/Curiosity rover mission [3]. The AFL would have included precision drilling to 2m, automated sample handling and remote processing of cores. However, the AFL concept needed further development and maturation. The Atacama Rover Astrobiology Drilling Studies (ARADS) project concept [4] was in part AFL-inspired. The 2014 ARADS concept included a medium sized rover, with habitability instruments, including the Phoenix Wet Chemistry Laboratory (WCL) [5], and an enhanced version of the ExoMars Mars Organic Molecule Analyzer (MOMA) Laser Desorption-Linear Ion Trap Mass Spectrometer (LITMS) [6]. ARADS likewise included two biosignature detection instruments -- the Signs of Life Detector (SOLID) immunoassay instrument [7,8] and the Chemical Laptop-derived [9] Planetary In-Situ Capillary Electrophoresis System (PISCES), while mitigating Planetary Protection-relevant contamination issues [10]. ARADS project objectives were to demonstrate the potential science return for such a mission in the context of the search for evidence of life, and technically to demonstrate the feasibility of roving with drilling missions to Mars. ARADS technology goals targeted analog-site demonstrations of automated drilling and sampling, integrated with its mobile habitability and biosignature detection instruments. And ARADS science operations goals developed remote science, contamination mitigation, and communications methods to enable simulating AFL-like science operations with time delays, directed by a remote science team[11]. Five subsequent Mars analog site field demonstrations (in Chile’s hyperarid Atacama Desert, 2016-19) provided a step-by-step development pathway for the ARADS platform’s science capabilities and systems integration, culminating in an integrated remote roving mission simulation in the final ARADS year (2019).

biosignatures↗

Near-wall serpentine cooled turbine airfoil

A serpentine coolant flow path (54A-54G) formed by inner walls (50, 52) in a cavity (49) between pressure and suction side walls (22, 24) of a turbine airfoil (20A). A coolant flow (58) enters (56) an end of the airfoil, flows into a span-wise channel (54A), then flows forward (54B) over the inner surface of the pressure side wall, then turns behind the leading edge (26), and flows back along a forward part of the suction side wall, then follows a loop (54E) forward and back around an inner wall (52), then flows along an intermediate part of the suction side wall, then flows into an aft channel (54G) between the pressure and suction side walls, then exits the trailing edge (28). This provides cooling matched to the heating topography of the airfoil, minimizes differential thermal expansion, revives the coolant, and minimizes the flow volume needed.

42 ENGINEERING↗

A hybrid building thermal modeling approach for predicting temperatures in typical, detached, two-story houses

Within the residential building sector, the air-conditioning (AC) load is the main target for peak load shifting and reduction since it is the largest contributor to peak demand. By leveraging its power flexibility, residential AC is a good candidate to provide building demand response and peak load shifting. For realization of accurate and reliable control of AC loads, a building thermal model, which characterizes the properties of a building’s envelope and its thermal mass, is an essential component for accurate indoor temperature or cooling/heating demand prediction. Building thermal models include two types: “Forward” and “Data-Driven”. Due to time-saving and cost-effective characteristics, different data-driven models have been developed in a number of research studies. However, few developed models can predict temperatures in respective zones of a multiple-zone building with an open air path between zones e.g., an open stairwell connecting two floors of a home. In this research, a novel hybrid modeling approach is proposed to predict the average indoor air temperatures of both the upstairs and downstairs. This “hybrid” solution integrates both gray-box, i.e. RC model and black-box models. A developed RC model is used to predict the building mean temperature, and black-box model, in which the supervised machine learning algorithms are leveraged, is used to predict the temperature difference between the downstairs and upstairs. Compared with the measured data from a real house, the results obtained have acceptable/satisfactory accuracy. The method proposed in this study integrates the advantages of black-box and gray-box modeling. As a result, it can be used as a reliable alternative to predict the average temperatures in respective floors of typical detached two-story houses.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Ionization-driven competitive (recovery) process in pre-damaged KTaO 3 : A brief review

The nuclear (S n ) and electronic (S e ) energy dissipation processes have been considered to be independent and largely uncorrelated, influencing our understanding of ion–solid interaction and damage processes in the last decades. Recently, however, it has become more generally accepted that S n and S e are coupled as they interact both in time and space. To decouple these processes, separating these effects in experiments using sequential dual-beam irradiations have become accepted as the logical path to advance the understanding of complex interactions between S e and pre-existing defects that may be created from displacement events. This experimental approach has been recently applied to studies of KTaO 3 to reveal new insights into this critical research topic. Here, we offer a forward-looking and comprehensive perspective on the fundamental coupling between Se and pre-existing defects in KTaO 3 . The origins behind the competitive two-stage phase transition process leading to damage healing are revealed and discussed. Furthermore, the evidence resulting from synergistic effects is also included for comparison. Additionally, our findings are rationalized using both Se and the ion velocity as key parameters. We highlight how the inelastic thermal spike (i-TS) calculations provide insights into the nature of this coupled process and further confirm that the ion velocity effect governs annealing kinetics. This work emphasizes that through the introduction of a small amount of local disorder in materials, MeV ion irradiation (i.e., not extreme S e ) may also be one additional option in subsequent material modification and functionalization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Multi-point nonequilibrium umbrella sampling and associated fluctuation relations

We describe a simple method of umbrella trajectory sampling for Markov chains. The method allows the estimation of large-deviation rate functions, for path-extensive dynamic observables, for an arbitrary number of models within a certain family. The general relationship between probability distributions of dynamic observables of members of this family is an extended fluctuation relation. When the dynamic observable is chosen to be entropy production, members of this family include the forward Markov chain and its time reverse, whose probability distributions are related by the expected simple fluctuation relation.

97 MATHEMATICS AND COMPUTING↗

Localization of infrasonic sources via Bayesian back projection

SUMMARY A Bayesian framework is investigated for event-specific localization of infrasonic sources using back projection ray tracing. Direction-of-arrival information from array-based detection analysis is used to initialize a back projection ray path originating from the detecting array location and quantifying propagation characteristics from hypothetical source locations. The Fisher statistic, computed from the array’s beam coherence, is mapped into uncertainty in the launch angles of the ray path. Auxiliary parameters previously introduced for solving the Transport equation to compute geometric spreading along ray paths are used to map uncertainty in the ray launch angles into spatial and temporal uncertainties in the ray path. An atmospheric ensemble approach is applied to account for atmospheric uncertainty, and the relation between uncertainties in the atmospheric state and confidence in estimated localization are evaluated using several ensembles with specified variances. The method is evaluated using a synthetic event in the western United States constructed via forward propagation simulations as well as a single-station, multi-arrival detection from a surface explosion in the western United States. Localization results using this event-specific approach are more accurate and exhibit improved precision than existing Bayesian localization methods that leverage generalized, pre-computed propagation statistics.

58 GEOSCIENCES↗

Effects of Inboard Horizontal Field of View Display Limitations on Pilot Path Control During Total In-Flight Simulator (TIFS) Flight Test

A flight test was conducted aboard Calspan's Total In-Flight Simulator (TIFS) aircraft by researchers within the External Visibility System (XVS) element of the High-Speed Research program. The purpose was to investigate the effects of inboard horizontal field of view (FOV) display limitations on pilot path control and to learn about the TIFS capabilities and limitations for possible use in future XVS flight tests. The TIFS cockpit windows were masked to represent the front XVS display area and the High-Speed Civil Transport side windows, as viewed by the pilot. Masking limited the forward FOV to 40 deg. horizontal and 50 deg. vertical for the basic flight condition, With an increase of 10 deg. horizontal in the inboard direction for the increased FOV flight condition. Two right-hand approach tasks (base-downwind-final) with a left crosswind on final were performed by three pilots using visual flight rules at Niagara Falls Airport. Each of the two tasks had three replicates for both horizontal FOV conditions, resulting in twelve approaches per test subject. Limited objective data showed that an increase of inboard FOV had no effect (deficiences in objective data measurement capabilities were noted). However, subjective results showed that a 50 deg. FOV was preferred over the 40 deg. FOV.

Kramer, Lynda J.↗

Pairwise connected tensor network representation of path integrals

It has been recently shown how the tensorial nature of real-time path integrals (PIs) involving the Feynman-Vernon influence functional can be utilized with matrix product states, taking advantage of the finite length of the bath-induced memory. Tensor networks (TNs) promise to provide a unified language to express the structure of a PI. A generalized TN specifically incorporating the pairwise interaction structure of the influence functional and its invariance with respect to the average forward-backward position or the sojourn value in the form of the blip representation is derived and implemented. This pairwise connected TNPI (PC-TNPI) is illustrated through applications to typical spin-boson problems and explorations of the differences caused by the exact form of the spectral density. The storage and performance scalings are reported, showing the compactness of the representation and the efficiency of the contraction process. Finally, taking advantage of the compressed representation, the viability of using PC-TNPI for simulating multistate problems is demonstrated. The PC-TNPI structure can be shown to yield other TN algorithms currently in use. Consequently, it should be possible to use it as a starting point for deriving other optimized procedures.

36 MATERIALS SCIENCE↗

Translocation mechanism of xeroderma pigmentosum group D protein on single-stranded DNA and genetic disease etiology

Abstract XPD is a key nucleotide excision repair (NER) protein whose function is vital for genome integrity. During NER, XPD serves as a 5′−3′ single-strand DNA translocase that enables lesion scanning and verification in genomic DNA. Yet, its translocation mechanism is incompletely understood. Here we use molecular simulations and chain-of-replicas path optimization methods to model the ATP-driven translocation mechanisms of XPD and its bacterial homolog DinG, revealing all on-path metastable intermediates and corresponding kinetic rates. We identify the XPD(DinG) global domain motions that modulate the strength of DNA association at the opposing ends of the DNA-binding groove. During the ATP hydrolysis cycle, alternating weak and strong interactions at two defined groove constrictions enable DNA reptation and forward displacement of the ATPase. Moreover, we show that DNA- or ATP-binding residues directly involved in translocation are hotspots for genetic disease mutations. Thus, our findings shed light on the etiology of XPD-associated genetic syndromes.

Paul, Tanmoy↗

An experimental and analytical investigation of isolated rotor flap-lag stability in forward flight

For flap-lag stability of isolated rotors, experimental and analytical investigations are conducted in hover and forward flight on the adequacy of a linear quasi-steady aerodynamics theory with dynamic inflow. Forward flight effects on lag regressing mode are emphasized. Accordingly, a soft inplane hingeless rotor with three blades is tested at advance ratios as high as 0.55 and at shaft angles as high as 20 deg. The 1.62-m model rotor is untrimmed with an essentially unrestricted tilt of the tip path plane. By computerized symbolic manipulation, an analytical model is developed in substall to predict stability margins with mode indentification. It also predicts substall and stall regions to help explain the correlation between theory and data. The correlation shows both the strengths and weaknesses of the data and theory, and promotes further insights into areas in which further study is needed in substall and stall.

Gaonkar, Gopal H.↗