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DOE OSTI2023

Complex motion of steerable vesicular robots filled with active colloidal rods

Abstract While the collective motion of active particles has been studied extensively, effective strategies to navigate particle swarms without external guidance remain elusive. We introduce a method to control the trajectories of two-dimensional swarms of active rod-like particles by confining the particles to rigid bounding membranes (vesicles) with non-uniform curvature. We show that the propelling agents spontaneously form clusters at the membrane wall and collectively propel the vesicle, turning it into an active superstructure. To further guide the motion of the superstructure, we add discontinuous features to the rigid membrane boundary in the form of a kinked tip, which acts as a steering component to direct the motion of the vesicle. We report that the system’s geometrical and material properties, such as the aspect ratio and Péclet number of the active rods as well as the kink angle and flexibility of the membrane, determine the stacking of active particles close to the kinked confinement and induce a diverse set of dynamical behaviors of the superstructure, including linear and circular motion both in the direction of, and opposite to, the kink. From a systematic study of these various behaviors, we design vesicles with switchable and reversible locomotions by tuning the confinement parameters. The observed phenomena suggest a promising mechanism for particle transportation and could be used as a basic element to navigate active matter through complex and tortuous environments.

42 ENGINEERING↗

DOE OSTI2026

Faster Randomized Dynamical Decoupling

We present a randomized dynamical decoupling (DD) protocol that can substantially improve the performance of any given deterministic DD scheme for suppressing coherent noise by using no more than two additional pulses. Our construction is implemented by probabilistically applying sequences of pulses, which, when combined, effectively eliminate the error terms that scale linearly with the system-environment coupling strength. As a result, we show that a randomized protocol using a few pulses can outperform deterministic DD protocols that require considerably more pulses. Furthermore, we prove that the randomized protocol provides an improvement compared to deterministic DD sequences that aim to reduce the error in the system’s Hilbert space, such as Uhrig DD, which had been previously regarded to be optimal. To rigorously evaluate the performance, we introduce new analytical methods suitable for analyzing higher-order DD protocols that might be of independent interest. Here, we also present numerical simulations confirming the significant advantage of using randomized protocols compared to widely used deterministic protocols.

Quantum algorithms & computation↗

DOE OSTI2026

Large-scale white noise and cosmology

The generation of white noise on large scales is a generic property of the dynamics of physical systems described by local nonlinear partial differential equations. Nonlinearities prevent the small-scale dynamics from being erased by smoothing. Unresolved small-scale dynamics act as an uncorrelated (white or Poissonian) noise (seemingly stochastic but actually deterministic) contribution to large-scale dynamics. This white noise exists even when the dynamics is very nearly linear. In cases where the power spectrum is sub-Poissonian on large scales, this noise will dominate on the largest scale power no matter the amplitude of the inhomogeneities. Such is the case in the standard model of cosmology, where the primordial density power spectrum is expected to have an almost Harrison-Zel’dovich, P [ k ] ∼ k , spectrum on a much broader range of scales than can be observed. Even though linear gravitational evolution dominates nonlinear corrections by a factor of ∼ 10 5 , the nonobservation of white noise on the Hubble scale precludes the extrapolation of this power law below the comoving 1 pc scale. More generally, observation or nonobservation of large-scale white noise provides a powerful probe of the Universe on very small scales in the early Universe. Gravitational radiation, phase transitions, vorticity, and running of the spectral index are all phenomena that can be probed with large-scale white noise. Large-scale white noise is a nonoptional feature of all cosmological models but one which has not heretofore been appreciated.

Barenboim, Gabriela [Valencia U., IFIC; Valencia U↗

DOE OSTI2025

Assessing VQLS for Fluid Dynamics on a Hybrid Quantum-HPC Stack

Recent advances in quantum linear solvers offer a promising direction for accelerating extreme scientific computations such as fluid dynamics. However, the deep and complex circuits required by many quantum algorithms limit their practical use on current quantum hardware. The Variational Quantum Linear Solver (VQLS) presents a viable alternative for near-term quantum devices (NISQ), and initial efforts have explored its application to select fluid dynamics problems. In this work, we evaluate the use of VQLS for canonical fluid dynamics problems, aiming to identify pathways for generalizing its implementation across a broader class of systems. We analyze the impact of various circuit ansatz and classical optimizers on solution quality and convergence behavior. Furthermore, we assess the algorithm's feasibility within a hybrid quantum–high-performance computing (HPC) framework by porting it to QFw, a state-of-the-art quantum-HPC software stack. 11This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the US Department of Energy (DOE). The US government retains and the publisher, by accepting the article for publication, acknowledges that the US government retains a nonexclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for US government purposes. DOE will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the US DOE under Contract No. DE-AC05-00OR22725.

Gopalakrishnan Meena, Murali [ORNL] (ORCID:0000000↗

NASA NTRS1977

Linear regulator design for stochastic systems by a multiple time-scales method

This short paper develops a hierarchically structured, suboptimal controller for a linear stochastic system composed of fast and slow subsystems. It is proved that the controller is optimal in the limit as the separation of time scales of the subsystems becomes infinite. The methodology is illustrated by design of a controller to suppress the phugoid and short-period modes of the longitudinal dynamics of the F-8 aircraft.

Teneketzis, D.↗

NASA NTRS1978

DYGABCD: A program for calculating linear A, B, C, and D matrices from a nonlinear dynamic engine simulation

A digital computer program, DYGABCD, was developed that generates linearized, dynamic models of simulated turbofan and turbojet engines. DYGABCD is based on an earlier computer program, DYNGEN, that is capable of calculating simulated nonlinear steady-state and transient performance of one- and two-spool turbojet engines or two- and three-spool turbofan engines. Most control design techniques require linear system descriptions. For multiple-input/multiple-output systems such as turbine engines, state space matrix descriptions of the system are often desirable. DYGABCD computes the state space matrices commonly referred to as the A, B, C, and D matrices required for a linear system description. The report discusses the analytical approach and provides a users manual, FORTRAN listings, and a sample case.

Geyser, L. C.↗

NASA NTRS1983

A 4-cylinder Stirling engine computer program with dynamic energy equations

A computer program for simulating the steady state and transient performance of a four cylinder Stirling engine is presented. The thermodynamic model includes both continuity and energy equations and linear momentum terms (flow resistance). Each working space between the pistons is broken into seven control volumes. Drive dynamics and vehicle load effects are included. The model contains 70 state variables. Also included in the model are piston rod seal leakage effects. The computer program includes a model of a hydrogen supply system, from which hydrogen may be added to the system to accelerate the engine. Flow charts are provided.

Daniele, C. J.↗

NASA NTRS1990

Control/structure interaction - Effects of actuator dynamics

The present evaluation of the effects of including actuator dynamics in the formulation of simple control laws for vibration suppression leads, theoretically, to a prediction of substantial interaction between actuator dynamics, structural dynamics, and control-law choices. Attention is given to the problem of closed-loop instability, under the assumptions that (1) the structure is modeled by an asymptotically stable system, (2) vibration-suppression is the purpose of control, and (3) the structure is well modeled by a finite-dimensional linear set of equations with viscous damping, such as a FEM model.

Inman, Daniel J.↗

NASA NTRS1992

Experimental results in nonlinear compensation of a one degree-of-freedom magnetic suspension

Nonlinear control techniques are of increasing interest in magnetic bearing applications. A one-degree-of-freedom magnetic suspension system has been constructed to serve as a test system for nonlinear control. The objective of this effort is to build an accurate model for the nonlinear suspension dynamics and to show the advantages of compensating for these nonlinearities by using a nonlinear controller. The results obtained with a nonlinear controller are experimentally demonstrated as superior to those obtained with a linear controller. Specifically, a controller which contains a force-control block yields transient responses which are largely independent of the operating point air gap.

Trumper, David L.↗

DOE OSTI2022

MFIX-Exa: Performance prediction of multiphase energy conversion devices

MFIX-Exa targets the high-fidelity CFD-DEM model in which particles are unresolved by the fluid grid (typically using a fluid mesh approximately twice the particle diameter) but discrete particle dynamics including collisions are resolved with a simple linear-spring dashpot model. The fluid field is solved with a modern low Mach number formation of a cell-centered, nodal-pressure approximate projection method using a Godunov scheme . Physics capabilities include: complex geometries via embedded boundaries (EBs), open and closed system ideal gas equations of state, species transport and heterogeneous chemi- cal reactions. MFIX-Exa is built on the AMReX software framework, the ECP Block-Structured Adaptive Mesh Refinement (AMR) Co-Design Center, which allows the code to be portable and performant.Further integration into the ECP ecosystem includes HYPRE linear solvers and Ascent for in situ visualization. Current project efforts focus on scaling up realistic simulations to the KPP of the challenge problem: NETs 50kW chemical looping reactor, shakedown and scaling on JSLE and OLCF TDS systems and reaching for any remaining performance improvements.

Musser, Jordan↗

NASA NTRS1974

Finite element solution algorithm for incompressible fluid dynamics

A finite element solution algorithm is established for the two-dimensional Navier-Stokes equations governing the transient motion of a viscous incompressible fluid, i.e., hydrodynamics. Dependent variable transformation renders the differential equation description uniformly elliptic. The finite element algorithm is established using the Galerkin criterion on a local basis within the Method of Weighted Residuals. It is unconstrained with respect to system linearity, computational mesh uniformity or solution domain closure regularity. The finite element matrices are established using a linear 'natural coordinate function' description. Computational solutions using the COMOC computer program illustrate the various features of the algorithm including recirculating flows.

Baker, A. J.↗

DOE OSTI2023

DRIPS: A framework for dimension reduction and interpolation in parameter space

Reduced-order models are often used to describe the behavior of complex systems, whose simulation with a full model is too expensive, or to extract salient features from the full model’s output. We introduce a new model-reduction framework DRIPS (dimension reduction and interpolation in parameter space) that combines the offline local model reduction with the online parameter interpolation of reduced-order bases (ROBs). The offline step of this framework relies on dynamic mode decomposition (DMD) to build a low-rank linear surrogate model, equipped with a local ROB, for quantities of interest derived from the training data generated by repeatedly solving the (nonlinear) high-fidelity model for multiple parameter points. The online step consists of the construction of a parametric reduced-order model for each target/test point in the parameter space, with the interpolation of ROBs done on a Grassman manifold and the interpolation of reduced-order operators done on a matrix manifold. The DMD component enables DRIPS to model (typically low-dimensional) quantities of interest directly, without having to access the (typically high-dimensional and possibly nonlinear) operators in a high-fidelity model that governs the dynamics of the underlying high-dimensional state variables, as required in projection-based reduced-order modeling. A series of numerical experiments suggests that DRIPS yields a model reduction, which is computationally more efficient than the commonly used projection-based proper orthogonal decomposition; it does so without requiring a prior knowledge of the governing equation for quantities of interest. Furthermore, for the nonlinear systems considered, DRIPS is more accurate than Gaussian-process interpolation (Kriging).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2022

A Quantum Algorithm to Simulate Open Quantum Systems

Given the advent of quantum algorithms for a wide array of problems in linear algebra and machine learning, it is important to develop general methods for the simulation of arbitrary (ie non-unitary) operators on quantum hardware. In this talk, we present a novel quantum algorithm based on the quantum singular value transformation (QSVT) to apply an arbitrary operator K to some input state and subsequently estimate the expectation value of some observable. Our construction then immediately yields a route to estimating observables of states undergoing open quantum dynamics, whose effect is captured by a set of non-unitary Kraus operators. Our algorithm succeeds deterministically given the Sz-Nagy dilation, and we provide details on the algorithm's query and gate complexity, numerical verification, and comparisons with prior methods.

Quantum computing↗

DOE OSTI2024

Developmental Ethanol Exposure Impacts Purkinje Cells but Not Microglia in the Young Adult Cerebellum

Fetal alcohol spectrum disorders (FASD) caused by developmental ethanol exposure lead to cerebellar impairments, including motor problems, decreased cerebellar weight, and cell death. Alterations in the sole output of the cerebellar cortex, Purkinje cells, and central nervous system immune cells, microglia, have been reported in animal models of FASD. To determine how developmental ethanol exposure affects adult cerebellar microglia and Purkinje cells, we used a human third-trimester binge exposure model in which mice received ethanol or saline from postnatal (P) days 4–9. In adolescence, cerebellar cranial windows were implanted and mice were aged to young adulthood for examination of microglia and Purkinje cells in vivo with two-photon imaging or in fixed tissue. Ethanol had no effect on microglia density, morphology, dynamics, or injury response. However, Purkinje cell linear frequency was reduced by ethanol. Microglia–Purkinje cell interactions in the Purkinje Cell Layer were altered in females compared to males. Overall, developmental ethanol exposure had few effects on cerebellar microglia in young adulthood and Purkinje cells appeared to be more susceptible to its effects.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1997

Machine Phase Fullerene Nanotechnology: 1996

NASA has used exotic materials for spacecraft and experimental aircraft to good effect for many decades. In spite of many advances, transportation to space still costs about $10,000 per pound. Drexler has proposed a hypothetical nanotechnology based on diamond and investigated the properties of such molecular systems. These studies and others suggest enormous potential for aerospace systems. Unfortunately, methods to realize diamonoid nanotechnology are at best highly speculative. Recent computational efforts at NASA Ames Research Center and computation and experiment elsewhere suggest that a nanotechnology of machine phase functionalized fullerenes may be synthetically relatively accessible and of great aerospace interest. Machine phase materials are (hypothetical) materials consisting entirely or in large part of microscopic machines. In a sense, most living matter fits this definition. To begin investigation of fullerene nanotechnology, we used molecular dynamics to study the properties of carbon nanotube based gears and gear/shaft configurations. Experiments on C60 and quantum calculations suggest that benzyne may react with carbon nanotubes to form gear teeth. Han has computationally demonstrated that molecular gears fashioned from (14,0) single-walled carbon nanotubes and benzyne teeth should operate well at 50-100 gigahertz. Results suggest that rotation can be converted to rotating or linear motion, and linear motion may be converted into rotation. Preliminary results suggest that these mechanical systems can be cooled by a helium atmosphere. Furthermore, Deepak has successfully simulated using helical electric fields generated by a laser to power fullerene gears once a positive and negative charge have been added to form a dipole. Even with mechanical motion, cooling, and power; creating a viable nanotechnology requires support structures, computer control, a system architecture, a variety of components, and some approach to manufacture. Additional information is contained within the original extended abstract.

Globus, Al↗

DOE OSTI2020

CRAGE-mediated insertion of fluorescent chromosomal markers for accurate and scalable measurement of co-culture dynamics in Escherichia coli

Monitoring population dynamics in co-culture is necessary in engineering microbial consortia involved in distributed metabolic processes or biosensing applications. However, it remains difficult to measure strain-specific growth dynamics in high-throughput formats. This is especially vexing in plate-based functional screens leveraging whole-cell biosensors to detect specific metabolic signals. Here, we develop an experimental high-throughput co-culture system to measure and model the relationship between fluorescence and cell abundance, combining chassis-independent recombinase-assisted genome engineering (CRAGE) and whole-cell biosensing with a PemrR-green fluorescent protein (GFP) monoaromatic reporter used in plate-based functional screening. CRAGE was used to construct Escherichia coli EPI300 strains constitutively expressing red fluorescent protein (RFP) and the relationship between RFP expression and optical density (OD600) was determined throughout the EPI300 growth cycle. A linear equation describing the increase of normalized RFP fluorescence during deceleration phase was derived and used to predict biosensor strain dynamics in co-culture. Measured and predicted values were compared using flow cytometric detection methods. Induction of the biosensor lead to increased GFP fluorescence normalized to biosensor cell abundance, as expected, but a significant decrease in relative abundance of the biosensor strain in co-culture and a decrease in bulk GFP fluorescence. Taken together, these results highlight sensitivity of population dynamics to variations in metabolic activity in co-culture and the potential effect of these dynamics on the performance of functional screens in plate-based formats. The engineered strains and model used to evaluate these dynamics provide a framework for optimizing growth of synthetic co-cultures used in screening, testing and pathway engineering applications.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1997

Noise and Dynamical Pattern Selection in Solidification

The overall goal of this project was to understand in more detail how a pattern-forming system can adjust its spacing. "Pattern-forming systems," in this context, are nonequilibrium contina whose state is determined by experimentally adjustable control parameter. Below some critical value of the control system then has available to it a range of linearly stable, spatially periodic steady states, each characterized by a spacing which can lie anywhere within some band of values. These systems like directional solidification, where the solidification front is planar when the ratio of growth velocity to thermal gradient is below its critical value, but takes on a cellular shape above critical. They also include systems without interfaces, such as Benard convection, where it is the fluid velocity field which changes from zero to something spatially periodic as the control parameter is increased through its critical value. The basic question to be addressed was that of how the system chooses one of its myriad possible spacings when the control parameter is above critical, and in particular the role of noise in the selection process. Previous work on explosive crystallization had suggested that one spacing in the range should be preferred, in the sense that weak noise should eventually drive the system to that spacing. That work had also suggested a heuristic argument for identifying the preferred spacing. The project had three main objectives: to understand in more detail how a pattern-forming system can adjust its spacing; to investigate how noise drives a system to its preferred spacing; and to extend the heuristic argument for a preferred spacing in explosive crystallization to other pattern-forming systems.

Kurtze, Douglas A.↗

NASA NTRS1997

Experiments in Aircraft Roll-Yaw Control using Forebody Tangential Blowing

Advantages of flight at high angles of attack include increased maneuverability and lift capabilities. These are beneficial not only for fighter aircraft, but also for future supersonic and hypersonic transport aircraft during take-off and landing. At high angles of attack the aerodynamics of the vehicle are dominated by separation, vortex shedding and possibly vortex breakdown. These phenomena severely compromise the effectiveness of conventional control surfaces. As a result, controlled flight at high angles of attack is not feasible for current aircraft configurations. Alternate means to augment the control of the vehicle at these flight regimes are therefore necessary. The present work investigates the augmentation of an aircraft flight control system by the injection of a thin sheet of air tangentially to the forebody of the vehicle. This method, known as Forebody Tangential Blowing (FTB), has been proposed as an effective means of increasing the controllability of aircraft at high angles of attack. The idea is based on the fact that a small amount of air is sufficient to change the separation lines on the forebody. As a consequence, the strength and position of the vortices are altered causing a change on the aerodynamic loads. Although a very effective actuator, forebody tangential blowing is also highly non-linear which makes its use for aircraft control very difficult. In this work, the feasibility of using FTB to control the roll-yaw motion of a wind tunnel model was demonstrated both through simulations and experimentally. The wind tunnel model used in the experiments consists of a wing-body configuration incorporating a delta wing with 70-degree sweep angle and a cone-cylinder fuselage. The model is equipped with forebody slots through which blowing is applied. There are no movable control surfaces, therefore blowing is the only form of actuation. Experiments were conducted at a nominal angle of attack of 45 degrees. A unique apparatus that constrains the model to two degrees-of-freedom, roll and yaw, was designed and built. The apparatus was used to conduct dynamic experiments which showed that the system was unstable, its natural motion divergent. A model for the unsteady aerodynamic loads was developed based on the basic physics of the flow and results from flow visualization experiments. Parameters of the aerodynamic model were identified from experimental data. The model was validated using data from dynamic experiments. The aerodynamic model completes the equations of motion of the system which were used in the design of control laws using blowing as the only actuator. The unsteady aerodynamic model was implemented as part of the real-time vehicle control system. A control strategy using asymmetric blowing was demonstrated experimentally. A discrete vortex method was developed to help understand the main physics of the flow. The method correctly captures the interactions between forebody and wing vortices. Moreover, the trends in static loads and flow structure are correctly represented. Flow visualization results revealed the vortical structure of the flow to be asymmetric even for symmetric flight conditions. The effects of blowing, and roll and yaw angles on the flow structure were determined. It is shown that superimposing symmetric and asymmetric blowing has a linearizing effect on the actuator characteristics. Transient responses of roll and yaw moments to step input blowing were characterized, and their differences were explained based on the physical mechanisms through which these loads are generated.

Pedreiro, Nelson↗