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DOE OSTI2021

Resonant amplification of enzymatic chemical oscillations by oscillating flow

Using theory and simulation, we analyzed the resonant amplification of chemical oscillations that occur due to externally imposed oscillatory fluid flows. The chemical reactions are promoted by two enzyme-coated patches located sequentially on the inner surface of a pipe that transports the enclosed chemical solution. In the case of diffusion-limited systems, the period of oscillations in chemical reaction networks is determined by the rate of the chemical transport, which is diffusive in nature and, therefore, can be effectively accelerated by the imposed fluid flows. In this work, we first identify the natural frequencies of the chemical oscillations in the unperturbed reaction–diffusion system and, then, use the frequencies as a forcing input to drive the system to resonance. We demonstrate that flow-induced resonance can be used to amplify the amplitude of the chemical oscillations and to synchronize their frequency to the external forcing. In particular, we show that even 10% perturbations in the flow velocities can double the amplitude of the resulting chemical oscillations. Particularly, effective control can be achieved for the two-step chemical reactions where during the first half-period, the fluid flow accelerates the chemical flux toward the second catalytic patch, while during the second half-period, the flow amplifies the flux to the first patch. The results can provide design rules for regulating the dynamics of coupled reaction–diffusion processes and can facilitate the development of chemical reaction networks that act as chemical clocks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

High-Fidelity Energy Deposition Ignition Model Coupled with Flame Propagation Models at Engine-like Flow Conditions

With the heightened pressure on car manufacturers to increase the efficiency and reduce the carbon emissions of their fleets, more challenging engine operation has become a viable option. Highly dilute, boosted, and stratified charge, among others, promise engine efficiency gains and emissions reductions. At such demanding engine conditions, the spark-ignition process is a key factor for the flame initiation propagation and the combustion event. From a computational standpoint, there exist multiple spark-ignition models that perform well under conventional conditions but are not truly predictive under strenuous engine operation modes, where the underlying physics needs to be expanded. In this paper, a hybrid Lagrangian-Eulerian spark-ignition (LESI) model is coupled with different turbulence models, grid sizes, and combustion models. The ignition model, previously developed, relies on coupling Eulerian energy deposition with a Lagrangian particle evolution of the spark channel, at every time-step. The spark channel is attached to the electrodes and allowed to elongate at a speed derived from the flow velocity. The LESI model is used to simulate spark ignition in a nonquiescent crossflow environment at engine-like conditions, using converge commercial computational fluid dynamics (CFD) solver. The results highlight the consistency, robustness, and versatility of the model in a range of engine-like setups, from typical with Reynolds-averaged Navier-Stokes (RANS) and a larger grid size to high fidelity with large-eddy simulation (LES) and a finer grid size. The flame kernel growth is then evaluated against Schlieren images from an optical constant volume ignition chamber with a focus on the performance of flame propagation models, such as G-equation and thickened flame model, versus the baseline well-stirred reactor model. Finally, future development details are discussed.

Advanced ignition modeling↗

NASA NTRS1973

Applications of the Kustaanheimo-Stieffel transformation of the perturbed two-body problem

The Newtonian differential equations of motion for the two-body problem can be transformed into four linear harmonic-oscillator equations by simultaneously applying the regularization step dt/ds = r and the Kustaanheimo-Stieffel (KS) transformation. The regularization step changes the independent variable from time to a new variable s, and the KS transformation transforms the position and velocity vectors from Cartesian space into a four-dimensional space. A derivation of a uniform, regular solution for the perturbed two-body problem in the four-dimensional space is presented. The variation-of-parameters technique is used to develop expressions for the derivatives of ten elements (which are constants in the unperturbed motion) for the general case that includes both perturbations which can arise from a potential and perturbations which cannot be derived from a potential. This ten-element solution has mixed secular terms that degrade the long-term accuracy during numerical integration. Therefore, to eliminate these terms, the solution is modified by introducing two additional elements.

Bond, V. R.↗

NASA NTRS1985

An experimental investigation of a swirling, axisymmetric, turbulent boundary layer with pressure gradient

The results of an experimental investigation designed to document data on both mean and turbulence quantities in the axisymmetric, swirling boundary layer (with and without a pressure gradient) flowing over a stationary cylinder downstream of a spinning cylindrical section are discussed. The pressure gradient was introduced into the flow field by a 25.4-mm-high, forward-facing circular step mounted on the stationary cylinder, the step height being nearly equal to the approaching boundary-layer thickness. All the measurements were made at upstream reference velocity of 36-37 m/sec, with the rotation of the spinner set to make its peripheral speed equal to the reference velocity. The data reported include measurements of surface pressure and the mean surface-shear-stress vector (using a miniature directional surface-fence gage) and oil-flow visualization studies of the stationary cylinder. The data indicate that the streamwise pressure gradient controls the development of the streamwise component of wall shear but leaves the peripheral component of wall shear practically unaffected.

Hebbar, S. K.↗

NASA NTRS1985

Heating of thermal helium in the equatorial magnetosphere - A simulation study

The heating of He(+) ions observed by the GEOS satellite at L of about seven starting from an initial anisotropic proton distribution is studied. A simulation of electromagnetic ion cyclotron waves in a plasma consisting of hot anisotropic protons, a dominant thermal hydrogen plasma, and a minority species of helium ions is utilized. It is shown that the thermal ions are heated to 100 times their initial temperature due to the growth of large-amplitude ion cyclotron waves. He(+) ions are heated mainly in the perpendicular direction, and they are heated more than cold H(+) ions. The He(+) ions are heated in a two-step process. First, they are set into oscillations by the growing wave until some of the ions reach a parallel velocity on the order of the resonant velocity; then, strong heating occurs.

Omura, Y.↗

NASA NTRS1986

A siphon mechanism for supplying prominence mass

A siphonlike mechanism for moving mass from the chromosphere to a gravitational well at the top of a magnetic loop to form a prominence is examined. The calculations assume no a priori flow velocity at the loop base. Instead, heating in the loop legs drives the flow. The prominence formation process requires two steps. First, the background heating rate must be reduced to on the order of 1 percent of the initial heating rate required to maintain the coronal loop. This forms an initial condensation at the top of the loop. Second, the heating must take place only in the loop legs in order to produce a pressure differential which drives mass up into the well at the top of the loop. The heating rate in the loop must be increased once the prominence has begun to form, or full prominence densities cannot be achieved in a reasonable time. It is concluded that this heating driven siphonlike mechanism is feasible for producing and maintaining prominences.

Poland, A. I.↗

NASA NTRS1992

The relationship between pressure-based and density-based algorithms

The PISO, pressure-based algorithm, is compared with implicit time-marching systems to ascertain their similarities and differences. Both methods are expressed in vector form for comparison purposes. The vector form of the PISO method is triangular, allowing an uncoupled solution procedure, while the Euler implicit method requires the simultaneous solution of all equations. Upwind differencing is performed according to the direction of the eigenvalues in both systems, but this is the particle velocity in the PISO method and the acoustic velocity in the Euler method. Vector stability calculations show that the PISO method is conditionally stable depending on the time step, but that it provides adequate damping at small time steps to enable good convergence. Unconditional stability can be provided by retaining the energy coupling terms in the time derivative. Transforming the Euler implicit equations to the PISO variables along with a modification of the time derivatives gives the density-based method the same amplification factors at low speeds as the pressure-based method without affecting their behavior at high speeds.

Merkle, Charles L.↗

NASA NTRS1992

Fiberoptic sensors for rocket engine applications

A research effort was completed to summarize and evaluate the current level of technology in fiberoptic sensors for possible applications in integrated control and health monitoring (ICHM) systems in liquid propellant engines. The environment within a rocket engine is particuarly severe with very high temperatures and pressures present combined with extremely rapid fluid and gas flows, and high-velocity and high-intensity acoustc waves. Application of fiberoptic technology to rocket engine health monitoring is a logical evolutionary step in ICHM development and presents a significant challenge. In this extremely harsh environment, the additional flexibility of fiberoptic techniques to augment conventional sensor technologies offer abundant future potential.

Ballard, R. O.↗

NASA NTRS1998

A Moving Grid Capability for NPARC

Version 3.1 of the NPARC computational fluid dynamics flow solver introduces a capability to solve unsteady flow on moving multi-block, structured grids with nominally second-order time accuracy. The grid motion is due to segments of the boundary grid that translate and rotate in a rigid-body manner or deform. The grid is regenerated at each time step to accommodate the boundary grid motion. The flow equations and computational models sense the moving grid through the grid velocities, which are computed from a time-difference of the grids at two consecutive time levels. For three-dimensional flow domains, it is assumed that the grid retains a planar character with respect to one coordinate. The application and accuracy of NPARC v3.1 is demonstrated for flow about a flying wedge, rotating flap, a collapsing bump in a duct, and the upstart / restart flow in a variable-geometry inlet. The results compare well with analytic and experimental results.

Slater, John W.↗

NASA NTRS2003

Presumed PDF Modeling of Early Flame Propagation in Moderate to Intense Turbulence Environments

The present paper describes the results obtained from a one-dimensional time dependent numerical technique that simulates early flame propagation in a moderate to intense turbulent environment. Attention is focused on the development of a spark-ignited, premixed, lean methane/air mixture with the unsteady spherical flame propagating in homogeneous and isotropic turbulence. A Monte-Carlo particle tracking method, based upon the method of fractional steps, is utilized to simulate the phenomena represented by a probability density function (PDF) transport equation. Gaussian distributions of fluctuating velocity and fuel concentration are prescribed. Attention is focused on three primary parameters that influence the initial flame kernel growth: the detailed ignition system characteristics, the mixture composition, and the nature of the flow field. The computational results of moderate and intense isotropic turbulence suggests that flames within the distributed reaction zone are not as vulnerable, as traditionally believed, to the adverse effects of increased turbulence intensity. It is also shown that the magnitude of the flame front thickness significantly impacts the turbulent consumption flame speed. Flame conditions studied have fuel equivalence ratio s in the range phi = 0.6 to 0.9 at standard temperature and pressure.

Carmen, Christina↗

NASA NTRS2007

Plume Impingement to the Lunar Surface: A Challenging Problem for DSMC

The President's Vision for Space Exploration calls for the return of human exploration of the Moon. The plans are ambitious and call for the creation of a lunar outpost. Lunar Landers will therefore be required to land near predeployed hardware, and the dust storm created by the Lunar Lander's plume impingement to the lunar surface presents a hazard. Knowledge of the number density, size distribution, and velocity of the grains in the dust cloud entrained into the flow is needing to develop mitigation strategies. An initial step to acquire such knowledge is simulating the associated plume impingement flow field. The following paper presents results from a loosely coupled continuum flow solver/Direct Simulation Monte Carlo (DSMC) technique for simulating the plume impingement of the Apollo Lunar module on the lunar surface. These cases were chosen for initial study to allow for comparison with available Apollo video. The relatively high engine thrust and the desire to simulate interesting cases near touchdown result in flow that is nearly entirely continuum. The DSMC region of the flow field was simulated using NASA's DSMC Analysis Code (DAC) and must begin upstream of the impingement shock for the loosely coupled technique to succeed. It was therefore impossible to achieve mean free path resolution with a reasonable number of molecules (say 100 million) as is shown. In order to mitigate accuracy and performance issues when using such large cells, advanced techniques such as collision limiting and nearest neighbor collisions were employed. The final paper will assess the benefits and shortcomings of such techniques. In addition, the effects of plume orientation, plume altitude, and lunar topography, such as craters, on the flow field, the surface pressure distribution, and the surface shear stress distribution are presented.

Lumpkin, Forrest↗

NASA NTRS2014

Elastic Model Transitions: A Hybrid Approach Utilizing Quadratic Inequality Constrained Least Squares (LSQI) and Direct Shape Mapping (DSM)

A method for transitioning linear time invariant (LTI) models in time varying simulation is proposed that utilizes a hybrid approach for determining physical displacements by augmenting the original quadratically constrained least squares (LSQI) algorithm with Direct Shape Mapping (DSM) and modifying the energy constraints. The approach presented is applicable to simulation of the elastic behavior of launch vehicles and other structures that utilize discrete LTI finite element model (FEM) derived mode sets (eigenvalues and eigenvectors) that are propagated throughout time. The time invariant nature of the elastic data presents a problem of how to properly transition elastic states from the prior to the new model while preserving motion across the transition and ensuring there is no truncation or excitation of the system. A previous approach utilizes a LSQI algorithm with an energy constraint to effect smooth transitions between eigenvector sets with no requirement that the models be of similar dimension or have any correlation. This approach assumes energy is conserved across the transition, which results in significant non-physical transients due to changing quasi-steady state energy between mode sets, a phenomenon seen when utilizing a truncated mode set. The computational burden of simulating a full mode set is significant so a subset of modes is often selected to reduce run time. As a result of this truncation, energy between mode sets may not be constant and solutions across transitions could produce non-physical transients. In an effort to abate these transients an improved methodology was developed based on the aforementioned approach, but this new approach can handle significant changes in energy across mode set transitions. It is proposed that physical velocities due to elastic behavior be solved for using the LSQI algorithm, but solve for displacements using a two-step process that independently addresses the quasi-steady-state and non-steady-state contributions to the elastic displacement. For structures subject to large external forces, such as thrust or atmospheric drag, it is imperative to capture these forces when solving for elastic displacement. To simplify the mathematical formulation, assumptions are made regarding mass matrix normalization, constant external forcing, and constant viscous damping. These simplifications allow for direct solutions to the quasi-steady-state displacements through a process titled Direct Shape Mapping. DSM solves for the displacements using the eigenvalues of the elastic modes and the external forcing and returns a set of elastic displacements dictated by the eigenvectors of the post-transition mode set. For the non-steady-state contributions to displacement we formulate a LSQI problem that is constrained by energy of the non-steady state terms. The contributions from the quasi-steady-state and non-steady state solutions are then combined to obtain the physical displacements associated with the new set of eigenvectors. Results for the LSQI-DSM approach show significant reduction/complete removal of transients across mode set transitions while maintaining elastic motion from the prior state. For time propagation applications employing discrete elastic models that need to be transitioned in time and where running with full a full mode set is not feasible, the method developed offers a practical solution to simulating vehicle elasticity.

Hannan, Mike R.↗

NASA NTRS2013

Mission Opportunities for the Flight Validation of the Kinetic Impactor Concept for Asteroid Deflection

The kinetic impactor technique for deflecting near-Earth objects (NEOs), whereby a spacecraft is directed to collide with a NEO to alter its orbit via momentum transfer, is one of several proposed methods for defendingEarth against hazardous NEOs (asteroids and comets). In this paper we present detailed mission design concepts for a notionally feasible and aff ordable kinetic impactor flight validation mission deployed to a currently known near-Earth asteroid (NEA). Several filter steps are devised that utilize relevant criteria to optimally balance keyparameters, such as approach phase angle, estimated NEA diameter, relative velocity at intercept, and current NEA orbit knowledge, and produce refined lists of the most promising candidate target NEAs.

mission design↗

NASA NTRS1992

Onset of dispersion in Nb microstrip transmission lines at submillimeter wave frequencies

We have measured the dispersion in phase velocity of a Nb-SiO(x)-Nb microstrip transmission line resonator over a frequency range from 50 GHz to 800 GHz. A submicron Nb/Al-AlO(x)/Nb Josephson junction was used as a voltage-controlled oscillator to excite the high order modes in the resonator. The same junction is used as a direct detector resulting in a series of step-like structures in the DC current-voltage characteristic at the position of each mode frequency. The transmission line is dispersionless up to about 500 GHz where the phase velocity begins to decrease. This is well below the gap frequency f(sub g) approx. equals 700 GHz. Results agree qualitatively with the expected theoretical behavior near f(sub g). This onset of dispersion and loss in Nb transmission lines will have a significant impact on the design of submillimeter wave RF circuits.

Javadi, H. H. S.↗

NASA NTRS2003

Formation and Evolution of Binary Systems Containing Collapsed Stars

This research includes theoretical studies of the formation and evolution of five types of interacting binary systems. Our main focus has been on developing a number of comprehensive population synthesis codes to study the following types of binary systems: (i) cataclysmic variables (#3, #8, #12, #15), (ii) low- and intermediate-mass X-ray binaries (#13, #20, #21), (iii) high-mass X-ray binaries (#14, #17, #22), (iv) recycled binary millisecond pulsars in globular clusters (#5, #10, #ll), and (v) planetary nebulae which form in interacting binaries (#6, #9). The numbers in parentheses refer to papers published or in preparation that are listed in this paper. These codes take a new unified approach to population synthesis studies. The first step involves a Monte Carlo selection of the primordial binaries, including the constituent masses, and orbital separations and eccentricities. Next, a variety of analytic methods are used to evolve the primary star to the point where either a dynamical episode of mass transfer to the secondary occurs (the common envelope phase), or the system evolves down an alternate path. If the residual core of the primary is greater than 2.5 solar mass, it will evolve to Fe core collapse and the production of a neutron star and a supernova explosion. In the case of systems involving neutron stars, a kick velocity is chosen randomly from an appropriate distribution and added to the orbital dynamics which determine the state of the binary system after the supernova explosion. In the third step, all binaries which commence stable mass transfer from the donor star (the original secondary in the binary system) to the compact object, are followed with a detailed binary evolution code. Finally, we include all the relevant dynamics of the binary system. For example, in the case of LMXBs, the binary system, with its recoil velocity from the supernova explosion, is followed in time through its path in the Galactic potential. For our globular cluster study, detailed three-body calculations are used to follow the interactions of the binary with passing field stars.

Rappaport, Saul↗

NASA NTRS1995

Numerical investigations of low-density nozzle flow by solving the Boltzmann equation

A two-dimensional finite-difference code to solve the BGK-Boltzmann equation has been developed. The solution procedure consists of three steps: (1) transforming the BGK-Boltzmann equation into two simultaneous partial differential equations by taking moments of the distribution function with respect to the molecular velocity u(sub z), with weighting factors 1 and u(sub z)(sup 2); (2) solving the transformed equations in the physical space based on the time-marching technique and the four-stage Runge-Kutta time integration, for a given discrete-ordinate. The Roe's second-order upwind difference scheme is used to discretize the convective terms and the collision terms are treated as source terms; and (3) using the newly calculated distribution functions at each point in the physical space to calculate the macroscopic flow parameters by the modified Gaussian quadrature formula. Repeating steps 2 and 3, the time-marching procedure stops when the convergent criteria is reached. A low-density nozzle flow field has been calculated by this newly developed code. The BGK Boltzmann solution and experimental data show excellent agreement. It demonstrated that numerical solutions of the BGK-Boltzmann equation are ready to be experimentally validated.

Deng, Zheng-Tao↗

DOE OSTI2022

Seeking Repeating Anthropogenic Seismic Sources: Implications for Seismic Velocity Monitoring at Fault Zones

Abstract Seismic velocities in rocks are highly sensitive to changes in permanent deformation and fluid content. The temporal variation of seismic velocity during the preparation phase of earthquakes has been well documented in laboratories but rarely observed in nature. It has been recently found that some anthropogenic, high‐frequency (>1 Hz) seismic sources are powerful enough to generate body waves that travel down to a few kilometers and can be used to monitor fault zones at seismogenic depth. Anthropogenic seismic sources typically have fixed spatial distribution and provide new perspectives for velocity monitoring. In this work, we propose a systematic workflow to seek such powerful seismic sources in a rapid and straightforward manner. We tackle the problem from a statistical point of view, considering that persistent, powerful seismic sources yield highly coherent correlation functions (CFs) between pairs of seismic sensors. The algorithm is tested in California and Japan. Multiple sites close to fault zones show high‐frequency CFs stable for an extended period of time. These findings have great potential for monitoring fault zones, including the San Jacinto Fault and the Ridgecrest area in Southern California, Napa in Northern California, and faults in central Japan. However, extra steps, such as beamforming or polarization analysis, are required to determine the dominant seismic sources and study the source characteristics, which are crucial to interpreting the velocity monitoring results. Train tremors identified by the present approach have been successfully used for seismic velocity monitoring of the San Jacinto Fault in previous studies.

58 GEOSCIENCES↗

DOE OSTI2025

Multi-objective automatic discovery of optimized metamaterials for varying velocity impact protection

Mechanical metamaterials have demonstrated exceptional impact performance while remaining lightweight. Impact resistance has traditionally been investigated using quasi-static simulations, often with the assumption that performance will translate to high-velocity impact scenarios. However, critical crash protection parameters—such as peak stress and absorbed energy—are highly sensitive to impact velocity, leading to inconsistent performance under dynamic loading. To address this, we introduce a strain-rate-aware, active deep learning framework that enables multi-objective optimization of impact protection metrics across a wide range of impact velocities. Our framework captures the strain-rate sensitivity of architected lattices by learning to control spatial gradation in cellular metamaterials, resulting in over 200 % enhancement in impact protection relative to state-of-the-art designs such as Voronoi and re-entrant lattices. We demonstrate its practical utility by designing next-generation lattice structures for automotive bumper systems that satisfy multiple, velocity-specific safety criteria—capabilities beyond those of conventional designs. More than just a predictive tool, this framework marks the first step towards enabling adaptable impact-resistant structures across dynamic regimes.

Deep learning↗