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At least 163 records · Page 9

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NASA NTRS2006

AirSTAR: A UAV Platform for Flight Dynamics and Control System Testing

As part of the NASA Aviation Safety Program at Langley Research Center, a dynamically scaled unmanned aerial vehicle (UAV) and associated ground based control system are being developed to investigate dynamics modeling and control of large transport vehicles in upset conditions. The UAV is a 5.5% (seven foot wingspan), twin turbine, generic transport aircraft with a sophisticated instrumentation and telemetry package. A ground based, real-time control system is located inside an operations vehicle for the research pilot and associated support personnel. The telemetry system supports over 70 channels of data plus video for the downlink and 30 channels for the control uplink. Data rates are in excess of 200 Hz. Dynamic scaling of the UAV, which includes dimensional, weight, inertial, actuation, and control system scaling, is required so that the sub-scale vehicle will realistically simulate the flight characteristics of the full-scale aircraft. This testbed will be utilized to validate modeling methods, flight dynamics characteristics, and control system designs for large transport aircraft, with the end goal being the development of technologies to reduce the fatal accident rate due to loss-of-control.

Jordan, Thomas L.↗

NASA NTRS1990

Performance Data from a Wind-Tunnel Test of Two Main-rotor Blade Designs for a Utility-Class Helicopter

An investigation was conducted in the NASA Langley Transonic Dynamics Tunnel to evaluate an advanced main rotor designed for use on a utility class helicopter, specifically the U.S. Army UH-60A Blackhawk. This rotor design incorporated advanced twist, airfoil cross sections, and geometric planform. For evaluation purposes, the current UH-60A main rotor was also tested and is referred to as the baseline blade set. A total of four blade sets were tested. One set of both the baseline and the advanced rotors were dynamically scaled to represent a full scale helicopter rotor blade design. The remaining advanced and baseline blade sets were not dynamically scaled so as to isolate the effects of structural elasticity. The investigation was conducted in hover and at rotor advance ratios ranging from 0.15 to 0.4 at a range of nominal test medium densities from 0.00238 to 0.009 slugs/cu ft. This range of densities, coupled with varying rotor lift and propulsive force, allowed for the simulation of several vehicle gross weight and density altitude combinations. Performance data are presented for all blade sets without analysis; however, cross referencing of data with flight condition may be useful to the analyst for validating aeroelastic theories and design methodologies as well as for evaluating advanced design parameters.

Singleton, Jeffrey D.↗

NASA NTRS1999

Atmospheric Dynamics of Venus: Scales Large and Small

Over the past 30 years, Gerald Schubert has made significant contributions to the understanding of Venus atmospheric dynamics. His research of Venus' atmosphere spans spatial scales both large and small, including: Venus westward atmospheric superrotation, Planetary scale waves and the global "Y" ultraviolet feature, Wind streaks and the global circulation of the lower atmosphere, Mesoscale convection in the clouds of Venus, Vertical propagation of small-scale internal gravity waves, and Interaction between small-scale dynamics and the large-scale mean flow. Furthermore, his role as Principal Investigator of the Pioneer Venus Working Group on Structure and Circulation in the late 1970's and early 1980's was instrumental in the advancement of our understanding of Venus' atmosphere. The Pioneer Venus work serves as the cornerstone of our view of Venus atmospheric dynamics today. This paper will review Jerry's extensive research on Venus' atmosphere. In addition, recent results on convectively generated internal gravity waves will be presented that combine his lifelong, interest in both large-scale and small-scale dynamics. It will be shown that small-scale internal gravity waves generated by convection within the clouds of Venus decelerate the westward superrotation below the clouds. Thus, mechanisms that support the Venus westward superrotation must overcome the influence of small-scale dynamics in the lower atmosphere.

Baker, R. David↗

DOE OSTI2024

SPARC-X: Quantum simulations at extreme scale - reactive dynamics from first principles

We have developed the massively parallel electronic structure code SPARC-X: a computational framework for performing Kohn-Sham Density Functional Theory (DFT) calculations that can scale linearly with the number of atoms in the system, while being able to leverage petascale and emerging exascale parallel computers to study chemical phenomena at unprecedented length and time scales. SPARC-X exploits a recent breakthrough in electronic structure methodologies: systematically improvable, strictly local, orthonormal, discontinuous real-space bases that efficiently and systematically capture the local chemistry of the system. With further adaptation using new machine-learning techniques and the use of the massively parallel Spectral Quadrature (SQ) electronic structure method, the algorithmic complexity and prefactor associated with DFT calculations involving semilocal as well as hybrid functionals are dramatically reduced. Using petascale computational resources, SPARC-X enables quantum mechanical simulations at length and time scales previously accessible only by empirical approaches, e.g., 1,000,000 atoms for a few picoseconds using semilocal functionals or 1,000 atoms for a few picoseconds using hybrid functionals. Using exascale resources, the sizes and times targeted are two orders of magnitude larger. Such a capability has applications in a wide variety of chemical sciences, including reactive interfaces where large length- and/or long time-scales are needed and traditional force fields fail. This is particularly important in dynamic catalysis, where bond breaking and formation must be understood in detail. We developed, tested, and employed the SPARC-X framework to understand the photocatalytic properties of TiO 2 nanoparticles, revealing finite size effects that cannot be captured with standard model systems or functionals. This integrated development and application strategy ensures that SPARC-X remains a robust, efficient, and scalable software package for quantum simulations on current petascale and emerging exascale computing resources.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Large-scale molecular dynamics simulations of bubble collapse in water: Effects of system size, water model, and nitrogen

Molecular dynamics simulations in the microcanonical ensemble are performed to study the collapse of a bubble in liquid water using the single-site mW and the four-site TIP4P/2005 water models. To study system size effects, simulations for pure water systems are performed using periodically replicated simulation boxes with linear dimensions, L, ranging from 32 to 512 nm with the largest systems containing 8.7 × 10 6 and 4.5 × 10 9 molecules for the TIP4P/2005 and mW water models, respectively. The computationally more efficient mW water model allows us to reach converging behavior when the bubble dynamics results are plotted in reduced units, and the limiting behavior can be obtained through linear extrapolation in L –1 . Qualitative differences are observed between simulations with the mW and TIP4P/2005 water models, but they can be explained by the models’ differences in predicted viscosity and surface tension. Although bubble collapse occurs on time scales of only hundreds of picoseconds, the system sizes used here are sufficiently large to obtain bubble dynamics consistent with the Rayleigh–Plesset equation when using the models’ thermophysical properties as input. For the conditions explored here, extreme heating of the interfacial water molecules near the time of collapse is observed for the larger mW water systems (but the model underpredicts the viscosity), whereas heating is less pronounced for the TIP4P/2005 water systems because its larger viscosity contribution slows the collapse dynamics. The presence of nitrogen within the bubble only starts to affect bubble dynamics near the very end of the initial collapse, leading to an incomplete collapse and strong rebound for the mW water model. Although nitrogen is non-condensable at 300 K, it becomes highly compressed and reaches a liquid-like density near the collapse point. We find that the dissolution of nitrogen is much slower than the movement of the collapsing water front, and the re-expansion of the dense nitrogen droplet gives rise to bubble rebound. The incompatibility of the collapse and dissolution time scales should be considered for continuum-scale modeling of bubble dynamics. Finally, we also confirm that the diffusion coefficient for dissolved nitrogen is insensitive to pressure as the liquid transitions from a compressed to a stretched state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1995

On why dynamic subgrid-scale models work

Dynamic subgrid models have proved to be remarkably successful in predicting the behavior of turbulent flows. Part of the reasons for their success are well understood. Since they are constructed to generate an effective viscosity which is proportional to some measure of the turbulent energy at the high wavenumber end of the spectrum, their eddy viscosity vanishes as the flow becomes laminar. This alone would justify their use over simpler models. But beyond this obvious advantage, which is confined to inhomogeneous and evolving flows, the reason why they also work better in simpler homogeneous cases, and how they do it without any obvious adjustable parameter, is not clear. This lack of understanding of the internal mechanisms of a useful tool is disturbing, not only as an intellectual challenge, but because it raises the doubt of whether it will work in all cases. This note is an attempt to clarify those mechanisms. We will see why dynamic models are robust and how they can get away with even comparatively gross errors in their formulations. This will suggest that they are only particular cases of a larger family of robust models, all of which would be relatively insensitive to large simplifications in the physics of the flow. We will also construct some such models, although mostly as research tools. It will turn out, however, that the standard dynamic formulation is not only robust to errors, but also behaves as if it were substantially well formulated. The details of why this is so will still not be clear at the end of this note, specially since it will be shown that the 'a priori' testing of the stresses gives, as is usual in most subgrid models, very poor results. But it will be argued that the basic reason is that the dynamic formulation mimics the condition that the total dissipation is approximately equal to the production measured at the test filter level.

Jimenez, J.↗

DOE OSTI2023

Scaling with microstructure dynamics

Presentation on scaling fluidized bed risers.

Breault, Ronald↗

NASA NTRS2009

Test Plan for the Technology Maturation of Supersonic Inflatable Aerodynamic Decelerators

Supersonic inflatable aerodynamic decelerators (IADs) are drag devices intended to be deployed at high Mach numbers. In the application considered here they assist in the descent and landing of spacecraft on Mars. Although promising, present IAD technology is not yet sufficiently mature for use in the near future. This paper describes a technology maturation plan for tension cone IADs using subscale test articles to reduce development costs. As envisioned, the proposed test plan includes three phases: wind tunnel tests (subsonic), unpowered high-altitude flight tests (transonic), and powered high-altitude tests (supersonic). This test plan is based on a building block approach in which successful completion of each phase adds to the understanding of the behavior of IADs and reduces the risk of the subsequent, more expensive phases. By properly scaling the IADs, test articles of the same size and nearly the same construction can be used for all three phases. The final phase is a dynamically scaled flight test with IAD deployment at the same Mach number as the full-scale vehicle on Mars. Two full-scale example cases are presented: one for a single-stage system (15 m dia. IAD to subsonic retropropulsion), and another for a two-stage system (10.5 m dia. IAD to subsonic parachute). Using scale factors of 0.333 and 0.476 yield subscale test IADs of 5 m dia. The dynamically scaled powered flight test starts at Mach 4 and an altitude of 33.5 km. Existing balloons and rocket motors are shown to be adequate to meet the required test conditions.

Kelly, Jenny R.↗

NASA NTRS2002

Small-Scale Tropopause Dynamics and TOMS Total Ozone

This project used Earth Probe Total Ozone Mapping Spectrometer (EP TOMS) along-track ozone retrievals, in conjunction with ancillary meteorological fields and modeling studies, for high resolution investigations of upper troposphere and lower stratosphere dynamics. Specifically, high resolution along-track (Level 2) EP TOMS data were used to investigate the beautiful fine-scale structure in constituent and meteorological fields prominent in the evolution of highly non-linear baroclinic storm systems. Comparison was made with high resolution meteorological models. The analyses provide internal consistency checks and validation of the EP TOMS data which are vital for monitoring ozone depletion in both polar and midlatitude regions.

Stanford, John L.↗

DOE OSTI2020

Experimental evaluation of shear modulus scaling of dynamic strength at extreme pressures

Recent progress in the development of dynamic strength experimental platforms is allowing for unprecedented insight into the assumptions used to construct constitutive models operating in extreme conditions. In this work, we make a quantitative assessment of how tantalum strength scales with its shear modulus to pressures of hundreds of gigapascals through a cross-platform examination of three dynamic strength experiments. Specifically, we make use of Split–Hopkinson pressure bar and Richtmyer–Meshkov instability experiments to assess the low-pressure strain and strain rate dependence. Concurrent examination of magnetically driven ramp-release experiments up to pressures of 350GPa allows us to examine the pressure dependence. In this work, using a modern description of the shear modulus, validated against both ab initio theory and experimental measurements, we then assess how the experimentally measured pressure dependence scales with shear modulus. Furthermore, we find that the common assumption of scaling strength linearly with the shear modulus is too soft at high pressures and offer discussion as to how descriptions of slip mediated plasticity could result in an alternative scaling that is consistent with the data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRSDate not supplied

Semi-Empirical Interatomic Potential for Large-Scale Molecular Dynamics Simulation of Metal-Oxide Systems

Classical molecular dynamics (MD) simulation can be applied to systems containing billions of atoms during times up to microseconds. However, utilization of a large-scale MD simulation requires reliable but computationally cheap interatomic potentials. In the case of metallic systems, embedded atom method (EAM) and Finnis-Sinclair (FS) potentials are the reasonable choices, but their development for multicomponent alloys is a challenge. Addition of oxygen atoms makes the problem of developing semi-empirical potentials even more difficult because the long-range Coulomb interaction cannot be neglected, and different atoms have different charges which vary during MD relaxation such that a charge equilibration procedure should be applied every MD step. As results researchers tend to avoid simulating metal-oxide systems. In this talk, a new Finnis-Sinclair (FS) Ni-Co-Cr potential will be presented. Special attention will be paid to reproducing of the element melting temperatures and clustering. Next, a charge transfer ionic potential (CTIP) developed to simulate the NiO properties will be presented. This potential utilizes the Ni FS potential and accounts for the Coulomb interaction in the vicinity of oxygen atoms. Fitting of the CTIP parameters and FS potential functions describing the interaction with oxygen atoms to the available experimental and ab initio data will be discussed. Results of MD simulation of interaction of NiO particles with dislocations in Ni will be shown.

molecular dynamics simulation↗

NASA NTRS1989

Spectral multi-domain for large-scale fluid dynamic simulations

A number of successful applications of a spectral collocation method extended by a multi-domain patching technique are shown. The multi-domain technique can be used to improve resolution for problems with widely disparate scales, and to reduce the ill-conditioning of the spectral operators for problems in which a large number of points are required for distributed resolution. A new nonreflecting outflow boundary treatment for unsteady transition-to-turbulence simulations is also presented, which relies on the multi-domain technique. The role of multi-domain in improving the efficiency of such calculations is discussed.

Streett, C. L.↗

NASA NTRS1977

On reachability of dynamic systems

A large-scale dynamic system is considered as composed of a number of interconnected subsystems. Input and output reachability of the system is defined as a structural counterpart to controllability and observability. When the system is subject to structural perturbations due to on-off participation of the subsystems, conditions are provided for reachability to be connective, that is, to be invariant under the perturbations. The concept of input and output reachability leads naturally to formulations of input and output decentralized systems. It is shown that such systems are connectively reachable, which is an important structural property of 'large' and 'small' decentralized systems alike. Finally, a procedure is outlined to transform a centralized system into an input or output decentralized system with distinct inputs or outputs assigned to each subsystem separately.

Siljak, D. D.↗

DOE OSTI2022

Predicting the effects of climate change on the cross-scale epidemiological dynamics of a fungal plant pathogen

The potential for climate change to exacerbate the burden of human infectious diseases is increasingly recognized, but its effects on infectious diseases of plants have received less attention. Understanding the impacts of climate on the epidemiological dynamics of plant pathogens is imperative, as these organisms play central roles in natural ecosystems and also pose a serious threat to agricultural production and food security. We use the fungal ‘flax rust’ pathogen (Melampsora lini) and its subalpine wildflower host Lewis flax (Linum lewisii) to investigate how climate change might affect the dynamics of fungal plant pathogen epidemics using a combination of empirical and modeling approaches. Our results suggest that climate change will initially slow transmission at both the within- and between-host scales. However, moderate resurgences in disease spread are predicted as warming progresses, especially if the rate of greenhouse gas emissions continues to increase at its current pace. These findings represent an important step towards building a holistic understanding of climate effects on plant infectious disease that encompasses demographic, epidemiological, and evolutionary processes. A core result is that neglecting processes at any one scale of plant pathogen transmission may bias projections of climate effects, as climate drivers have variable and cascading impacts on processes underlying transmission that occur at different scales.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Learning local equivariant representations for large-scale atomistic dynamics

Abstract A simultaneously accurate and computationally efficient parametrization of the potential energy surface of molecules and materials is a long-standing goal in the natural sciences. While atom-centered message passing neural networks (MPNNs) have shown remarkable accuracy, their information propagation has limited the accessible length-scales. Local methods, conversely, scale to large simulations but have suffered from inferior accuracy. This work introduces Allegro, a strictly local equivariant deep neural network interatomic potential architecture that simultaneously exhibits excellent accuracy and scalability. Allegro represents a many-body potential using iterated tensor products of learned equivariant representations without atom-centered message passing. Allegro obtains improvements over state-of-the-art methods on QM9 and revMD17. A single tensor product layer outperforms existing deep MPNNs and transformers on QM9. Furthermore, Allegro displays remarkable generalization to out-of-distribution data. Molecular simulations using Allegro recover structural and kinetic properties of an amorphous electrolyte in excellent agreement with ab-initio simulations. Finally, we demonstrate parallelization with a simulation of 100 million atoms.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1994

NASA Goddard Earth Sciences Graduate Student Program

The evolution of synoptic-scale dynamics associated with a middle and upper tropospheric cloud event that occurred on 26 November 1991 is examined. The case under consideration occurred during the FIRE CIRRUS-II Intensive Field Observing Period held in Coffeyville, KS during Nov. and Dec., 1991. Using data from the wind profiler demonstration network and a temporally and spatially augmented radiosonde array, emphasis is given to explaining the evolution of the kinematically-derived ageostrophic vertical circulations and correlating the circulation with the forcing of an extensively sampled cloud field. This is facilitated by decomposing the horizontal divergence into its component parts through a natural coordinate representation of the flow. Ageostrophic vertical circulations are inferred and compared to the circulation forcing arising from geostrophic confluence and shearing deformation derived from the Sawyer-Eliassen Equation. It is found that a thermodynamically indirect vertical circulation existed in association with a jet streak exit region. The circulation was displaced to the cyclonic side of the jet axis due to the orientation of the jet exit between a deepening diffluent trough and building ridge. The cloud line formed in the ascending branch of the vertical circulation with the most concentrated cloud development occurring in conjunction with the maximum large-scale vertical motion. The relationship between the large scale dynamics and the parameterization of middle and upper tropospheric clouds in large-scale models is discussed and an example of ice water contents derived from a parameterization forced by the diagnosed vertical motions and observed water vapor contents is presented.

Ackerman, Thomas P.↗

NASA NTRS1994

Extended field observations of cirrus clouds using a ground-based cloud observing system

Ackerman, Thomas P.↗

DOE OSTI2020

Space–time reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems

A classical reduced order model for dynamical problems involves spatial reduction of the problem size. However, temporal reduction accompanied by the spatial reduction can further reduce the problem size without losing much accuracy, which results in a considerably more speed-up than the spatial reduction only. Recently, a novel space–time reduced order model for dynamical problems has been developed [17], where the space–time reduced order model shows an order of a hundred speed-up with a relative error of 10 –4 for small academic problems. However, in order for the method to be applicable to a large-scale problem, an efficient space–time reduced basis construction algorithm needs to be developed. Here we present the incremental space–time reduced basis construction algorithm. The incremental algorithm is fully parallel and scalable. Additionally, the block structure in the space–time reduced basis is exploited, which enables the avoidance of constructing the reduced space–time basis. These novel techniques are applied to a large-scale particle transport simulation with million and billion degrees of freedom. The numerical example shows that the algorithm is scalable and practical. Also, it achieves a tremendous speed-up, maintaining a good accuracy. Finally, error bounds for space-only and space–time reduced order models are derived.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗