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At least 919 records · Page 51

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Development of Martini 2.2 parameters for N -glycans: a case study of the HIV-1 Env glycoprotein dynamics

N-linked glycans are ubiquitous in nature and play key roles in biology. For example, glycosylation of pathogenic proteins is a common immune evasive mechanism, hampering the development of successful vaccines. Due to their chemical variability and complex dynamics, an accurate molecular understanding of glycans is still limited by the lack of effective resolution of current experimental approaches. Here, we have developed and implemented a reductive model based on the popular Martini 2.2 coarse-grained force field for the computational study of N-glycosylation. We used the HIV-1 Env as a direct applied example of a highly glycosylated protein. Finally, our results indicate that the model not only reproduces many observables in very good agreement with a fully atomistic force field but also can be extended to study large amount of glycosylation variants, a fundamental property that can aid in the development of drugs and vaccines.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1992

A generalized gamma(s)-family of self-starting algorithms for computational structural dynamics

A generalized gamma(s)-family of self-starting single-step formulations are presented in order to provide simplified yet effective dynamic attributes to include features towards eliminating the need to involve accelerations in the computational process for structural dynamic problems. By appropriately selecting the parameters pertaining to gamma(s)(s = 1, 2, 3), both explicit and implicit formulations are obtained. The stability and accuracy characteristics of the gamma(s)-family of representations are presented to validate the robustness of the formulations for structural dynamic problems. Numerous illustrative examples are described and the results are in excellent agreement and validate the applicability of these formulations for structural dynamic computations.

Namburu, Raju R.↗

DOE OSTI2025

Dynamics of McMillan mappings II. axially symmetric map

Here, in this article, we investigate the transverse dynamics of a single particle in a model integrable accelerator lattice, based on a McMillan axially-symmetric electron lens. Although the McMillan e-lens has been considered as a device potentially capable of mitigating collective space charge forces, some of its fundamental properties have not been described yet. The main goal of our work is to close this gap and understand the limitations and potentials of this device. It is worth mentioning that the McMillan axially symmetric map provides the first-order approximations of dynamics for a general linear lattice plus an arbitrary thin lens with motion separable in polar coordinates. Therefore, advancements in its understanding should give us a better picture of more generic and not necessarily integrable round beams. In the first part of the article, we classify all possible regimes with stable trajectories and find the canonical action-angle variables. This provides an evaluation of the dynamical aperture, Poincaré rotation numbers as functions of amplitudes, and thus determines the spread in nonlinear tunes. Also, we provide a parameterization of invariant curves, allowing for the immediate determination of the map image forward and backward in time. The second part investigates the particle dynamics as a function of system parameters. We show that there are three fundamentally different configurations of the accelerator optics causing different regimes of nonlinear oscillations. Each regime is considered in great detail, including the limiting cases of large and small amplitudes. In addition, we analyze the dynamics in Cartesian coordinates and provide a description of observable variables and corresponding spectra.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1993

CFD Analysis of Spray Combustion and Radiation in OMV Thrust Chamber

The Variable Thrust Engine (VTE), developed by TRW, for the Orbit Maneuvering Vehicle (OMV) uses a hypergolic propellant combination of Monomethyl Hydrazine (MMH) and Nitrogen Tetroxide (NTO) as fuel and oxidizer, respectively. The propellants are pressure fed into the combustion chamber through a single pintle injection element. The performance of this engine is dependent on the pintle geometry and a number of complex physical phenomena and their mutual interactions. The most important among these are (1) atomization of the liquid jets into fine droplets; (2) the motion of these droplets in the gas field; (3) vaporization of the droplets (4) turbulent mixing of the fuel and oxidizer; and (5) hypergolic reaction between MMH and NTO. Each of the above phenomena by itself poses a considerable challenge to the technical community. In a reactive flow field of the kind occurring inside the VTE, the mutual interactions between these physical processes tend to further complicate the analysis. The objective of this work is to develop a comprehensive mathematical modeling methodology to analyze the flow field within the VTE. Using this model, the effect of flow parameters on various physical processes such as atomization, spray dynamics, combustion, and radiation is studied. This information can then be used to optimize design parameters and thus improve the performance of the engine. The REFLEQS CFD Code is used for solving the fluid dynamic equations. The spray dynamics is modeled using the Eulerian-Lagrangian approach. The discrete ordinate method with 12 ordinate directions is used to predict the radiative heat transfer in the OMV combustion chamber, nozzle, and the heat shield. The hypergolic reaction between MMH and NTO is predicted using an equilibrium chemistry model with 13 species. The results indicate that mixing and combustion is very sensitive to the droplet size. Smaller droplets evaporate faster than bigger droplets, leading to a well mixed zone in the combustion chamber. The radiative heat flux at combustion chamber and nozzle walls are an order of negligible less than the conductive heat flux. Simulations performed with the heat shield show that a negligible amount of fluid is entrained into the heat shield region. However, the heat shield is shown to be effective in protecting the OMV structure surrounding the engine from the radiated heat.

Giridharan, M. G.↗

NASA NTRS1974

Design implementation and control of MRAS error dynamics

Use is made of linearized error characteristic equation for model-reference adaptive systems to determine a parameter adjustment rule for obtaining time-invariant error dynamics. Theoretical justification of error stability is given and an illustrative example included to demonstrate the utility of the proposed technique.

Colburn, B. K.↗

NASA NTRS1984

Predictability of time averages. I - Dynamical predictability of monthly means. II - The influence of the boundary forcings

The physical basis for the dynamic prediction of monthly means in weather parameters is examined in two papers. In the first paper, an attempt is made to determine the theoretical upper limit of dynamical predictability of monthly means for prescribed nonfluctuating external forcings. In the second paper, the physical mechanisms through which changes in the boundary forcings of SST, soil moisture, albedo, and snow influence atmospheric circulation are discussed. On the basis of both studies, the essential requirements for establishing the physical basis for dynamical prediction of monthly means are to show that: (1) fluctuations of monthly means are larger than can be expected due to sampling of day-to-day weather changes; (2) there are low frequency planetary scale components of circulation which remain predictable beyond the limits of synoptic scale predictability; and (3) the influences of the slowly varying boundary conditions of SST, soil moisture, snow, sea ice are large enough to produce significant and detectable changes in the monthly mean circulations. Observational and numerical evidence which support these requirements are presented.

Shukla, J.↗

DOE OSTI2020

Physics of parameter correlations around the solar-scale enhancement in neutrino theory with unitarity violation

We discuss the physics of the three neutrino flavor transformation with non-unitary mixing matrix, with particular attention to the correlation between the $\nu$SM- and the $\alpha$ parameters which represent the effect of unitarity-violating (UV) new physics. Towards this goal, a new perturbative framework is created to illuminate the effect of non-unitarity in the region of the solar-scale enhanced oscillations. We refute the skepticism about the physical reality of the $\nu$Standard Model CP phase $\delta$–$\alpha$ parameter phase correlation by analysis with the SOL convention of $U_{{\tiny MNS}}$, in which $e^{\pm i \delta}$ is attached to $s_{12}$. Then, a comparative study between the solar- and atmospheric-scale oscillation regions allowed by the framework reveals a dynamical $\delta$–(blobs of the $\alpha$ parameters) correlation in the solar oscillation region, in sharp contrast to the “chiral”-type phase correlation $[e^{- i \delta} \bar{\alpha}_{\mu e},\ e^{- i \delta} \bar{\alpha}_{\tau e},\ \bar{\alpha}_{\tau \mu}]$ in the Particle Data Group convention seen in the atmospheric oscillation region. An explicit perturbative calculation to the first order in the $\nu_{\mu} \rightarrow \nu_{e}$ channel allows us to decompose the UV related part of the probability into the unitary evolution part and the genuine non-unitary part. We observe that the effect of non-unitarity tends to cancel between these two parts, as well as between the different $\alpha_{\beta \gamma}$ parameters.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1993

A local dynamic model for large eddy simulation

The dynamic model is a method for computing the coefficient C in Smagorinsky's model for the subgrid-scale stress tensor as a function of position from the information already contained in the resolved velocity field rather than treating it as an adjustable parameter. A variational formulation of the dynamic model is described that removes the inconsistency associated with taking C out of the filtering operation. This model, however, is still unstable due to the negative eddy-viscosity. Next, three models are presented that are mathematically consistent as well as numerically stable. The first two are applicable to homogeneous flows and flows with at least one homogeneous direction, respectively, and are, in fact, a rigorous derivation of the ad hoc expressions used by previous authors. The third model in this set can be applied to arbitrary flows, and it is stable because the C it predicts is always positive. Finally, a model involving the subgrid-scale kinetic energy is presented which attempts to model backscatter. This last model has some desirable theoretical features. However, even though it gives results in LES that are qualitatively correct, it is outperformed by the simpler constrained variational models. It is suggested that one of the constrained variational models should be used for actual LES while theoretical investigation of the kinetic energy approach should be continued in an effort to improve its predictive power and to understand more about backscatter.

Ghosal, Sandip↗

NASA NTRS1980

STS-1 operational flight profile. Volume 3: Ascent, cycle 3

The ascent opeational flight profile for the space transportation system 1 flight is designed (1) to limit the maximum undispersed dynamic pressure to 580 lb/sq ft, (2) to follow the design load indicator profiles where q alpha is a specified profile and q beta is desired to be as close to zero as passible, and (3) to maximize nominal and abort performance. Significant trajectory parameters achieved are presented. A maximum dynamic pressure of 575 lb/sq ft was achieved, a minimum q alpha of -2187 lb-deg/sq ft was achieved, and q beta was limited to approximately + or - 100 lb-deg/sq ft in the high q region of the trajectory. The trajectory performance allows a press to main engine cutoff capability with one space shuttle main engine out at 262 seconds ground elapsed time. The orbital maneuvering system burns achieve a final orbit of 150.9 x 149.9 x 149.8 n. mi. and the desired inclination of 40.3 degrees.

Source record↗

NASA NTRS1986

TOPEX orbit determination by solving gravity parameters with multiple arc data

Multiple arc data from repeated ground track are combined to reduce the error due to gravity field uncertainty in the determination of TOPEX orbit. The TOPEX dynamics is modeled with relatively few gravity parameters to account for the effect of the local gravity field. The gravity parameters are common to all arcs. The estimation algorithm uses the Householder transformation to combine multiple arc data and solve for the gravity parameters. The earth gravity field can be recovered with very modest amount of calculation.

Wu, J.-T.↗

NASA NTRS1976

Earth and ocean modeling

A modular structured system of computer programs is presented utilizing earth and ocean dynamical data keyed to finitely defined parameters. The model is an assemblage of mathematical algorithms with an inherent capability of maturation with progressive improvements in observational data frequencies, accuracies and scopes. The Eom in its present state is a first-order approach to a geophysical model of the earth's dynamics.

Knezovich, F. M.↗

NASA NTRS1977

Modeling and parameter uncertainties for aircraft flight control system design

Values of plant dynamic uncertainties for some recent aircraft design and development programs are given. Histories of pertinent aerodynamic, inertial, and structural parameter variations are given for a period of time from program initiation to aircraft certification. These data can be used as typical of future vehicles so that control system design concepts are evaluated with due consideration to their sensitivity to uncertainties in plant dynamics.

Mcdonnell, J. D.↗

NASA NTRS1985

An adaptive learning control system for large flexible structures

The objective of the research has been to study the design of adaptive/learning control systems for the control of large flexible structures. In the first activity an adaptive/learning control methodology for flexible space structures was investigated. The approach was based on using a modal model of the flexible structure dynamics and an output-error identification scheme to identify modal parameters. In the second activity, a least-squares identification scheme was proposed for estimating both modal parameters and modal-to-actuator and modal-to-sensor shape functions. The technique was applied to experimental data obtained from the NASA Langley beam experiment. In the third activity, a separable nonlinear least-squares approach was developed for estimating the number of excited modes, shape functions, modal parameters, and modal amplitude and velocity time functions for a flexible structure. In the final research activity, a dual-adaptive control strategy was developed for regulating the modal dynamics and identifying modal parameters of a flexible structure. A min-max approach was used for finding an input to provide modal parameter identification while not exceeding reasonable bounds on modal displacement.

Thau, F. E.↗

NASA NTRS1973

Viking Orbiter 1975 articulation control subsystem design analysis

The articulation control subsystem, developed for the Viking Orbiter 1975 spacecraft, is a digital, multiplexed, closed-loop servo system used to control the pointing and positioning of the science scan platform and the high-gain communication antenna, and to position the solar-energy controller louver blades for the thermal control of the propellant tanks. The development, design, and anlaysis of the subsystem is preliminary. The subsystem consists of a block-redundant control electronics multiplexed among eight control actuators. Each electronics block is capable of operating either individually or simultaneously with the second block. This provides the subsystem the capability of simultaneous two-actuator control or a single actuator control with the second block in a stand-by redundant mode. The result of the preliminary design and analysis indicates that the subsystem will perform satisfactorily in the Viking Orbiter 1975 mission. Some of the parameter values used, particularly those in the subsystem dynamics and the error estimates, are preliminary and the results will be updated as more accurate parameter values become available.

Horiuchi, H. H.↗

NASA NTRS1989

A methodology for formulating a minimal uncertainty model for robust control system design and analysis

In the design and analysis of robust control systems for uncertain plants, the technique of formulating what is termed an M-delta model has become widely accepted and applied in the robust control literature. The M represents the transfer function matrix M(s) of the nominal system, and delta represents an uncertainty matrix acting on M(s). The uncertainty can arise from various sources, such as structured uncertainty from parameter variations or multiple unstructured uncertainties from unmodeled dynamics and other neglected phenomena. In general, delta is a block diagonal matrix, and for real parameter variations the diagonal elements are real. As stated in the literature, this structure can always be formed for any linear interconnection of inputs, outputs, transfer functions, parameter variations, and perturbations. However, very little of the literature addresses methods for obtaining this structure, and none of this literature addresses a general methodology for obtaining a minimal M-delta model for a wide class of uncertainty. Since have a delta matrix of minimum order would improve the efficiency of structured singular value (or multivariable stability margin) computations, a method of obtaining a minimal M-delta model would be useful. A generalized method of obtaining a minimal M-delta structure for systems with real parameter variations is given.

Belcastro, Christine M.↗

NASA NTRS1991

On the formulation of a minimal uncertainty model for robust control with structured uncertainty

In the design and analysis of robust control systems for uncertain plants, representing the system transfer matrix in the form of what has come to be termed an M-delta model has become widely accepted and applied in the robust control literature. The M represents a transfer function matrix M(s) of the nominal closed loop system, and the delta represents an uncertainty matrix acting on M(s). The nominal closed loop system M(s) results from closing the feedback control system, K(s), around a nominal plant interconnection structure P(s). The uncertainty can arise from various sources, such as structured uncertainty from parameter variations or multiple unsaturated uncertainties from unmodeled dynamics and other neglected phenomena. In general, delta is a block diagonal matrix, but for real parameter variations delta is a diagonal matrix of real elements. Conceptually, the M-delta structure can always be formed for any linear interconnection of inputs, outputs, transfer functions, parameter variations, and perturbations. However, very little of the currently available literature addresses computational methods for obtaining this structure, and none of this literature addresses a general methodology for obtaining a minimal M-delta model for a wide class of uncertainty, where the term minimal refers to the dimension of the delta matrix. Since having a minimally dimensioned delta matrix would improve the efficiency of structured singular value (or multivariable stability margin) computations, a method of obtaining a minimal M-delta would be useful. Hence, a method of obtaining the interconnection system P(s) is required. A generalized procedure for obtaining a minimal P-delta structure for systems with real parameter variations is presented. Using this model, the minimal M-delta model can then be easily obtained by closing the feedback loop. The procedure involves representing the system in a cascade-form state-space realization, determining the minimal uncertainty matrix, delta, and constructing the state-space representation of P(s). Three examples are presented to illustrate the procedure.

Belcastro, Christine M.↗

DOE OSTI2021

Femtosecond control of phonon dynamics near a magnetic order critical point

The spin-phonon interaction in spin density wave (SDW) systems often determines the free energy landscape that drives the evolution of the system. When a passing energy flux, such as photoexcitation, drives a crystalline system far from equilibrium, the resulting lattice displacement generates transient vibrational states. Manipulating intermediate vibrational states in the vicinity of the critical point, where the SDW order parameter changes dramatically, would then allow dynamical control over functional properties. Here we combine double photoexcitation with an X-ray free-electron laser (XFEL) probe to control and detect the lifetime and magnitude of the intermediate vibrational state near the critical point of the SDW in chromium. We apply Landau theory to identify the mechanism of control as a repeated partial quench and sub picosecond recovery of the SDW. Our results showcase the capabilities to influence and monitor quantum states by combining multiple optical photoexcitations with an XFEL probe. They open new avenues for manipulating and researching the behaviour of photoexcited states in charge and spin order systems near the critical point.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1985

An Eigensystem Realization Algorithm (ERA) for modal parameter identification and model reduction

A method, called the Eigensystem Realization Algorithm (ERA), is developed for modal parameter identification and model reduction of dynamic systems from test data. A new approach is introduced in conjunction with the singular value decomposition technique to derive the basic formulation of minimum order realization which is an extended version of the Ho-Kalman algorithm. The basic formulation is then transformed into modal space for modal parameter identification. Two accuracy indicators are developed to quantitatively identify the system modes and noise modes. For illustration of the algorithm, examples are shown using simulation data and experimental data for a rectangular grid structure.

Juang, J. N.↗