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DOE OSTI2024

Dynamic Modeling of Near Isothermal Compressor for Transcritical Carbon Dioxide Cycle

Compressors are the major energy consumption components in vapor compression systems, drawing much research effort in reducing carbon emissions. The isothermal compressor integrates the compressor chamber and gas cooler to achieve near isothermal compression, reaching up to 30% energy reduction compared to the traditional isentropic compression work. This paper presents a detailed isothermal compressor model combined with a generalized liquid piston model to account for the carbon dioxide (CO2) isothermal compression process. The model is established based on MATLAB environment. The model uses the real experimental data as boundary conditions and initial settings, which also considers the CO2 solubility in liquid piston (mineral oil) for designing, optimizing and customizing the compression chambers. The validation was carried out with experimental data using a prototype with 3.5 kW capacity. The results have demonstrated the accuracy of the dynamic model (6.2% relative error for chamber pressure and 0.5 K deviation for chamber temperature), which provide a guideline for designing and customizing the isothermal compression cycle.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1992

Vibration reduction in helicopter rotors using an active control surface located on the blade

A feasibility study of vibration reduction in a four-bladed helicopter rotor using individual blade control (IBC), which is implemented by an individually controlled aerodynamic surface located on each blade, is presented. For this exploratory study, a simple offset-hinged spring restrained model of the blade is used with fully coupled flap-lag-torsional dynamics for each blade. Deterministic controllers based on local and global system models are implemented to reduce 4/rev hub loads using both an actively controlled aerodynamic surface on each blade as well as conventional IBC, where the complete blade undergoes cyclic pitch change. The effectiveness of the two approaches for simultaneous reduction of the 4/rev hub shears and hub moments is compared. Conventional IBC requires considerably more power to achieve approximately the same level of vibration reduction as that obtained by implementing IBC using an active control surface located on the outboard segment of the blade. The effect of blade torsional flexibility on the vibration reduction effectiveness of the actively controlled surface was also considered and it was found that this parameter has a very substantial influence.

Millott, T. A.↗

NASA NTRS1976

Trends in modern system theory

The topics considered are related to linear control system design, adaptive control, failure detection, control under failure, system reliability, and large-scale systems and decentralized control. It is pointed out that the design of a linear feedback control system which regulates a process about a desirable set point or steady-state condition in the presence of disturbances is a very important problem. The linearized dynamics of the process are used for design purposes. The typical linear-quadratic design involving the solution of the optimal control problem of a linear time-invariant system with respect to a quadratic performance criterion is considered along with gain reduction theorems and the multivariable phase margin theorem. The stumbling block in many adaptive design methodologies is associated with the amount of real time computation which is necessary. Attention is also given to the desperate need to develop good theories for large-scale systems, the beginning of a microprocessor revolution, the translation of the Wiener-Hopf theory into the time domain, and advances made in dynamic team theory, dynamic stochastic games, and finite memory stochastic control.

Athans, M.↗

DOE OSTI2020

PV_ICE: PV in the Circular Economy, Dynamic Energy and Materials Tool (PV ICE)

This open-source tool implements Circular Economy metrics for photovoltaic (PV) materials. It can be used to quantify and assign a value framework to efforts on re-design, reduction, replacement, reuse, recycling, and lifetime and reliability increases in the PV value chain. The PV_ICE is leveraging published data from different sources on PV manufacturing and predicted technological changes. Input data is being compiled here This tool will help implement circularity metrics, quantify and assign a value framework to efforts on re-design, reduction, replacement, reusage, recycling, and lifetime and reliability increases on PV.

Ovaitt, nee Ayala Pelaez, Silvana↗

DOE OSTI2021

A Study on Computational Cost Reduction of Simulations of Phase-Change Material (PCM) Embedded Heat Exchangers

Thermal storage can be implemented using Phase-Change Materials (PCM), which absorb significant latent heat with a relatively small temperature change. PCM phase-change processes are transient and are driven by thermal diffusion and natural convection – the latter, especially for melting process. Modeling and simulation of PCM heat exchangers (HX’s) is typically computationally intensive due to the relatively complex time-dependent physics. Most of the PCM modeling work in the literature uses high-order modeling tools such as Computational Fluid Dynamics (CFD) and Lattice-Boltzmann Method (LBM). For design purposes, the existing PCM modeling approaches are not practical, limiting researchers in their ability to investigate new ideas and different PCM’s with faster turnarounds. This paper presents a study investigating the reduction of computational cost of PCM embedded HX’s CFD models by evaluating the feasibility of spatial reduction without losing accuracy. The analysis consists of comparing full and partial domain under full melting conditions. The subject of this study is a single straight tube with circular transverse fins in the vertical orientation, using PCM’s with 35oC nominal melting temperature. Different tube and fin dimensions are investigated. Results indicate that the reduced domain reproduces - in half the run time - the same behavior as the full domain since the buoyancy effects are localized and patterned. The outputs from the partial domain simulation were used to build a non-general correlation for the PCM heat transfer characteristics and demonstrated how it can be implemented in a Finite Control Volume Reduced Order Model (ROM). The ROM can accurately reproduce the CFD simulations at 4 to 5 orders of magnitude faster.

25 ENERGY STORAGE↗

DOE OSTI2022

Asynchronous Reciprocal Coupling of Martini 2.2 Coarse-Grained and CHARMM36 All-Atom Simulations in an Automated Multiscale Framework

The appeal of multiscale modeling approaches is predicated on the promise of combinatorial synergy. However, this promise can only be realized when distinct scales are combined with reciprocal consistency. Here, we consider multiscale molecular dynamics (MD) simulations that combine the accuracy and macromolecular flexibility accessible to fixed-charge all-atom (AA) representations with the sampling speed accessible to reductive, coarse-grained (CG) representations. AA-to-CG conversions are relatively straightforward because deterministic routines with unique outcomes are achievable. Conversely, CG-to-AA conversions have many solutions due to a surge in the number of degrees of freedom. While automated tools for biomolecular CG-to-AA transformation exist, we find that one popular option, called Backward, is prone to stochastic failure and the AA models that it does generate frequently have compromised protein structure and incorrect stereochemistry. Although these shortcomings can likely be circumvented by human intervention in isolated instances, automated multiscale coupling requires reliable and robust scale conversion. In this work, we detail an extension to Multiscale Machine-learned Modeling Infrastructure (MuMMI), including an improved CG-to-AA conversion tool called sinceCG. This tool is reliable (~98% weakly correlated repeat success rate), automatable (no unrecoverable hangs), and yields AA models that generally preserve protein secondary structure and maintain correct stereochemistry. We describe how the MuMMI framework identifies CG system configurations of interest, converts them to AA representations, and simulates them at the AA scale while on-the-fly analyses provide feedback to update CG parameters. Application to systems containing the peripheral membrane protein RAS and proximal components of RAF kinase on complex eight-component lipid bilayers with ~1.5 million atoms is discussed in the context of MuMMI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Coupling flux balance analysis with reactive transport modeling through machine learning for rapid and stable simulation of microbial metabolic switching

Integrating genome-scale metabolic networks with reactive transport models (RTMs) provides a detailed description of the dynamic changes in microbial growth and metabolism. Despite promising demonstrations in the past, computational inefficiency has been pointed out as a critical issue to overcome because it requires repeated application of linear programming (LP) to obtain flux balance analysis (FBA) solutions in every time step and spatial grid. To address this challenge, we propose a new simulation method where we train and validate artificial neural networks (ANNs) using randomly sampled FBA solutions and incorporate the resulting surrogate FBA model (represented as algebraic equations) into RTMs as source/sink terms. We demonstrate the efficiency of our method via a case study of Shewanella oneidensis MR-1. During aerobic growth on lactate, S. oneidensis produces metabolic byproducts (such as pyruvate and acetate), which are subsequently consumed as alternative carbon sources when the preferred nutrients are depleted. To effectively simulate these complex dynamics, we used a cybernetic approach that models metabolic switches as the outcome of dynamic competition among multiple growth options. In both zero-dimensional batch and one-dimensional column configurations, the ANN-based surrogate models achieved substantial reduction of computational time by several orders of magnitude compared to the original LP-based FBA models. Moreover, the ANN models produced robust solutions without any special measures to prevent numerical instability. These developments significantly promote our ability to utilize genome-scale networks in complex, multi-physics, and multi-dimensional ecosystem modeling.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Lattice study of correlators of chromoelectric fields for heavy quarkonium dynamics in the quark-gluon plasma

We perform a lattice calculation of the correlators of two chromoelectric fields in the adjoint representation connected by adjoint Wilson lines at nonzero temperature. These correlators arise in the study of quarkonium dynamics and of adjoint heavy quark diffusion in deconfined matter. We work in SU(3) gauge theory using either gradient flow or multilevel algorithms for noise reduction, and discuss the renormalization of the correlators on the lattice. We find that a Casimir factor rescaling relates the adjoint correlators corresponding to the diffusion of an adjoint heavy quark and the octet-octet quarkonium transitions to the chromoelectric correlator in the fundamental representation describing the diffusion of a heavy quark.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Evolution of surface morphology from Stranski–Krastanov growth mode to step-flow growth mode in InSbBi thin films

The incorporation of dilute concentrations of bismuth (Bi) into traditional III–V alloys leads to a significant reduction in bandgap energy, making InSbBi a promising candidate for long-wavelength (<0.17 eV) infrared photosensors. InSbBi offers potential as a platform for exploring spin dynamics and quantum phenomena due to its strong spin–orbit coupling. Despite this promise, the material quality of InSbBi alloys remains inferior to that of conventional III–V semiconductors, primarily due to the substantial challenges associated with incorporating Bi into InSb and producing high-quality InSbBi with varying Bi compositions. In this study, we address these issues by developing a molecular beam epitaxy approach to grow smooth InSbBi thin films with tunable Bi incorporation up to 1.8% of the group V sublattice, through dynamic adjustment of Sb flux and careful control of the interplay between growth temperature and the Bi flux. In conclusion, this work paves way for the development of high-quality InSbBi thin films for applications in photodetection, spintronics, and related quantum technologies.

Edirisinghe, Chandima Kasun [Univ. of Tennessee, K↗

NASA NTRS1973

Optical tracking telescope compensation

In order to minimize the effects of parameter variations in the dynamics of an optical tracking telescope, a model referenced parameter adaptive control system is described that - in conjunction with more traditional forms of compensation - achieves a reduction of rms pointing error by more than a factor of six. The adaptive compensation system utilizes open loop compensation, closed loop compensation, and model reference compensation to provide the precise input to force telescope axis velocity to follow the ideal velocity.

Gilbart, J. W.↗

NASA NTRS1974

Lunar particle shadows and boundary layer experiment: Plasma and energetic particles on the Apollo 15 and 16 subsatellites

The lunar particle shadows and boundary layer experiments aboard the Apollo 15 and 16 subsatellites and scientific reduction and analysis of the data to date are discussed with emphasis on four major topics: solar particles; interplanetry particle phenomena; lunar interactions; and topology and dynamics of the magnetosphere at lunar orbit. The studies of solar and interplanetary particles concentrated on the low energy region which was essentially unexplored, and the studies of lunar interaction pointed up the transition from single particle to plasma characteristics. The analysis concentrated on the electron angular distributions as highly sensitive indicators of localized magnetization of the lunar surface. Magnetosphere experiments provided the first electric field measurements in the distant magnetotail, as well as comprehensive low energy particle measurements at lunar distance.

Anderson, K. A.↗

NASA NTRS1982

Life and reliability models for helicopter transmissions

Computer models of life and reliability are presented for planetary gear trains with a fixed ring gear, input applied to the sun gear, and output taken from the planet arm. For this transmission the input and output shafts are co-axial and the input and output torques are assumed to be coaxial with these shafts. Thrust and side loading are neglected. The reliability model is based on the Weibull distributions of the individual reliabilities of the in transmission components. The system model is also a Weibull distribution. The load versus life model for the system is a power relationship as the models for the individual components. The load-life exponent and basic dynamic capacity are developed as functions of the components capacities. The models are used to compare three and four planet, 150 kW (200 hp), 5:1 reduction transmissions with 1500 rpm input speed to illustrate their use.

Savage, M.↗

NASA NTRS1985

Magnetic suspension and balance system advanced study

An improved compact design for a superconducting magnetic suspension and balance system for an 8 ft. x 8 ft. transonic wind tunnel is developed. The original design of an MSBS in NASA Cr-3802 utilized 14 external superconductive coils and a superconductive solenoid in the airplane test model suspended in a wind tunnel. The improvements are in the following areas: test model solenoid options, dynamic force limits on the model, magnet cooling options, structure and cryogenic designs, power supply specifications, and cost and performance evaluations. The improvements are: MSBS cost reduction of 28%, weight; reduction of 43%, magnet system ampere-meter reduction of 38%, helium liquifier capacity reduction by 33%, magnet system stored energy reduction by 55%, AC loss to liquid helium reduced by 76%, system power supply reduced by 68%, test coil pole strength increased by 19%, wing magnetization increased by 40%, and control frequency limit increased by 200% from 10 Hz to 30 Hz. The improvements are due to: magnetic holmium coil forms in the test model, better rare earth permanent magnets in the wings, fiberglass-epoxy structure replacing stainless steel, better coil configuration, and new saddle roll coil design.

Boom, R. W.↗

NASA NTRS1985

Theoretical and software considerations for general dynamic analysis using multilevel substructured models

The dynamic analysis of complex structural systems using the finite element method and multilevel substructured models is presented. The fixed-interface method is selected for substructure reduction because of its efficiency, accuracy, and adaptability to restart and reanalysis. This method is extended to reduction of substructures which are themselves composed of reduced substructures. The implementation and performance of the method in a general purpose software system is emphasized. Solution algorithms consistent with the chosen data structures are presented. It is demonstrated that successful finite element software requires the use of software executives to supplement the algorithmic language. The complexity of the implementation of restart and reanalysis porcedures illustrates the need for executive systems to support the noncomputational aspects of the software. It is shown that significant computational efficiencies can be achieved through proper use of substructuring and reduction technbiques without sacrificing solution accuracy. The restart and reanalysis capabilities and the flexible procedures for multilevel substructured modeling gives economical yet accurate analyses of complex structural systems.

Schmidt, R. J.↗

NASA NTRS1987

Six-Degree-of-Freedom Vibration Suppressor

New system, total-rotor-isolation system (TRIS) employs liquid-inertia vibration-eliminator (LIVE) units, designed to isolate all six degrees of freedom of aircraft-fuselage dynamic response from continuously changing airloads developed by rotor. Vibration suppressor uses liquid mercury to damp vibrations. Results of flight tests indicated at least 95-percent reduction in vibration levels from rotor hub to pilot's seat.

Halwes, Dennis R.↗

NASA NTRS1987

Development of an advanced photovoltaic concentrator system for space applications

Recent studies indicate that significant increases in system performance (increased efficiency and reduced system mass) are possible for high power space based systems by incorporating technological developments with photovoltaic power systems. The Advanced Photovoltaic Concentrator Program is an effort to take advantage of recent advancements in refractive optical elements. By using a domed Fresnel lens concentrator and a prismatic cell cover, to eliminate metallization losses, dramatic reductions in the required area and mass over current space photovoltaic systems are possible. The advanced concentrator concept also has significant advantages when compared to solar dynamic Organic Rankine Cycle power systems in Low Earth Orbit applications where energy storage is required. The program is currently involved in the selection of a material for the optical element that will survive the space environment and a demonstration of the system performance of the panel design.

Piszczor, Michael F., Jr.↗

NASA NTRS1987

Development of an advanced photovoltaic concentrator system for space applications

Piszczor, Michael F., Jr.↗

NASA NTRS1989

Two stage gear tooth dynamics program

The epicyclic gear dynamics program was expanded to add the option of evaluating the tooth pair dynamics for two epicyclic gear stages with peripheral components. This was a practical extension to the program as multiple gear stages are often used for speed reduction, space, weight, and/or auxiliary units. The option was developed for either stage to be a basic planetary, star, single external-external mesh, or single external-internal mesh. The two stage system allows for modeling of the peripherals with an input mass and shaft, an output mass and shaft, and a connecting shaft. Execution of the initial test case indicated an instability in the solution with the tooth paid loads growing to excessive magnitudes. A procedure to trace the instability is recommended as well as a method of reducing the program's computation time by reducing the number of boundary condition iterations.

Boyd, Linda S.↗