Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Function Estimation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

A Multivibrational Mode Relaxation Scheme for Two-Temperature Thermochemical State Models

An approach to estimate the effective vibrational relaxation time for polyatomic molecules under the context of two-temperature thermochecmial state model is proposed. Landau-Teller vibrational relaxation equation is used as a basis, and vibrational energies are estimated with partition energy functions assuming harmonic oscillator model. A special weighting procedure is presented, and effective vibrational relaxation time is derived. A series of numerical experiments with CO2 and NH3 mixtures is performed, and the aeroheating results are presented. The results of CO2 environment simulations are compared with the vibrational relaxation model of Park et al. [JTHT, 8(1994), pp. 9–23]. The simulations are also conducted with a modified Landau-Teller expression.

Vibrational relaxation time↗
NASA NTRS2024

Residual Strength of Hypervelocity Impacted Silica

Windows in the International Space Station (ISS) are subject to ongoing micrometeoroid and orbital debris (MMOD) damage. The reliability of the windows is ensured by monitoring of damage, life prediction, and measurement of the residual strength of man-made and natural hypervelocity impacted window materials. Information on the residual strength of man-made craters and MMOD craters harvested from space shuttle windows was used to estimate strength as a function of damage dimensions and thereby derive design allowables for U.S. and Russian fused silicas used in the ISS. An effect of impact angle is apparent, with 0° impacts exhibiting the lowest strength for Russian quartz-derived silica. The crater morphology for fused silica consists of a central pit, crush zone, shallow rings, and radial cracks dividing shallow, petal-like lateral cracks (petaloids). The morphology of alkaline glass differs from that of fused silica, with a more distinct pit and pulverized region, and bell-shaped and tail-like features below the pit.

International space station,↗
NASA NTRS2026

Diffusion Quantum Monte Carlo Calculation of the Austenite and Martensite Phases of NiTi

NiTi is a promising material for smart and active technologies due to its exhibition of the shape memory effect, superelasticity, and biocompatibility. The shape memory effect is tied to the reversible transition between the austenite and martensite phases. A major research direction is to alloy NiTi with Zr, Hf, Pd, Pt, etc., in order to tune the martensitic transition temperature (MTT). Modeling the MTT from first principles is challenging because the lattice dynamics is complicated by anharmonicity and various low-energy structures. Using density functional theory, the energy difference between the austenite and martensite phases of NiTi varies by up to 100 meV/atom depending on the choice of density functional, which is of the same order of the energy difference itself. Consequently, free energy calculations with different functionals can result in estimates of the MTT that vary by several hundred K. Using diffusion quantum Monte Carlo, we calculated the energy difference between the B2 and B19' structures of NiTi to be 70.9 +- 2.5 meV/atom.

Kevin K Ly↗
DOE OSTI2013

High-Performance Computing for Real-Time Grid Analysis and Operation

Power grids worldwide are undergoing an unprecedented transition as a result of grid evolution meeting information revolution. The grid evolution is largely driven by the desire for green energy. Emerging grid technologies such as renewable generation, smart loads, plug-in hybrid vehicles, and distributed generation provide opportunities to generate energy from green sources and to manage energy use for better system efficiency. With utility companies actively deploying these technologies, a high level of penetration of these new technologies is expected in the next 5-10 years, bringing in a level of intermittency, uncertainties, and complexity that the grid did not see nor design for. On the other hand, the information infrastructure in the power grid is being revolutionized with large-scale deployment of sensors and meters in both the transmission and distribution networks. The future grid will have two-way flows of both electrons and information. The challenge is how to take advantage of the information revolution: pull the large amount of data in, process it in real time, and put information out to manage grid evolution. Without addressing this challenge, the opportunities in grid evolution will remain unfulfilled. This transition poses grand challenges in grid modeling, simulation, and information presentation. The computational complexity of underlying power grid modeling and simulation will significantly increase in the next decade due to an increased model size and a decreased time window allowed to compute model solutions. High-performance computing is essential to enable this transition. The essential technical barrier is to vastly increase the computational speed so operation response time can be reduced from minutes to seconds and sub-seconds. The speed at which key functions such as state estimation and contingency analysis are conducted (typically every 3-5 minutes) needs to be dramatically increased so that the analysis of contingencies is both comprehensive and real time. An even bigger challenge is how to incorporate dynamic information into real-time grid operation. Today’s online grid operation is based on a static grid model and can only provide a static snapshot of current system operation status, while dynamic analysis is conducted offline because of low computational efficiency. The offline analysis uses a worst-case scenario to determine transmission limits, resulting in under-utilization of grid assets. This conservative approach does not necessarily lead to reliability. Many times, actual power grid scenarios are not studied, and they will push the grid over the edge and resulting in outages and blackouts. This chapter addresses the HPC needs in power grid analysis and operations. Example applications such as state estimation and contingency analysis are given to demonstrate the value of HPC in power grid applications. Future research directions are suggested for high performance computing applications in power grids to improve the transparency, efficiency, and reliability of power grids.

Contingency Analysis↗
DOE OSTI2018

Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model

Here, we demonstrate the capability of creating robust density functional tight binding (DFTB) models for chemical reactivity in prebiotic mixtures through force matching to short time scale quantum free energy estimates. Molecular dynamics using density functional theory (DFT) is a highly accurate approach to generate free energy surfaces for chemical reactions, but the extreme computational cost often limits the time scales and range of thermodynamic states that can feasibly be studied. In contrast, DFTB is a semiempirical quantum method that affords up to a thousandfold reduction in cost and can recover DFT-level accuracy. Here, we show that a force-matched DFTB model for aqueous glycine condensation reactions yields free energy surfaces that are consistent with experimental observations of reaction energetics. Convergence analysis reveals that multiple nanoseconds of combined trajectory are needed to reach a steady-fluctuating free energy estimate for glycine condensation. Predictive accuracy of force-matched DFTB is demonstrated by direct comparison to DFT, with the two approaches yielding surfaces with large regions that differ by only a few kcal mol –1 .

36 MATERIALS SCIENCE↗
DOE OSTI2025

Adaptive Linear State Estimation for Unbalanced Distribution System

The inclusion of PMU functionality in distribution relays enables the implementation of a linear state estimator (LSE) in Distribution Systems (DS). However, the unbalanced topology and phase coupling in distribution lines necessitate modifications to the LSE formulation. Additionally, the higher fault frequency in distribution systems requires a state estimation approach that is resilient to contingencies. This work proposes an adaptive linear state estimation algorithm tailored for unbalanced distribution systems with single-phase and two-phase laterals. Furthermore, a modified Optimal PMU Placement (OPP) strategy is introduced to ensure full observability in distribution systems with single-phase and two-phase buses. To maintain adaptability to topology changes, the state estimator incorporates circuit breaker status data provided by PMUs, ensuring robust performance during topology changes triggered by faults. The performance of the algorithm is verified on the IEEE 13-bus, 34-bus, and 123-bus systems.

PMUs↗
DOE OSTI2022

The development of natural gas and hydrogen pipeline capital cost estimating equations

Natural gas pipeline cost data collected by the Oil and Gas Journal (O&GJ) for interstate pipelines constructed from 1980 through 2017 were used to develop capital cost estimating equations that are a function of pipeline diameter, length, and U.S. region. Equations were developed for material, labor, miscellaneous, and right-of-way costs, the four cost components in the O&GJ data, for six different regions of the United States (U.S.). Each equation is a function of pipeline diameter and length. Adjustment mechanisms were then developed for converting the natural gas pipeline equations into equations for estimating the costs of hydrogen pipelines. These adjustments were based in part on an analysis completed by the National Institute for Standards and Technology (NIST). Here the results of this work were used to update cost models in the Hydrogen Delivery Scenario Analysis Model (HDSAM), developed by Argonne National Laboratory for the U.S. Department of Energy’s Hydrogen Program. Our analysis shows a wide range of pipeline cost across different U.S. regions, especially with respect to labor and right-of-way costs. The developed cost formulas for hydrogen pipelines are both important and timely as hydrogen is being considered as a zero-carbon energy carrier with the potential to decarbonize all energy sectors, and the cost of hydrogen transportation is essential for techno-economic analysis of its potential use in these sectors.

03 NATURAL GAS↗
NASA NTRS2010

Use of an Improved Radiation Amplification Factor to Estimate the Effect of Total Ozone Changes on Action Spectrum Weighted Irradiances and an Instrument Response Function

Multiple scattering radiative transfer results are used to calculate action spectrum weighted irradiances and fractional irradiance changes in terms of a power law in ozone OMEGA, U(OMEGA/200)(sup -RAF), where the new radiation amplification factor (RAF) is just a function of solar zenith angle. Including Rayleigh scattering caused small differences in the estimated 30 year changes in action spectrum-weighted irradiances compared to estimates that neglect multiple scattering. The radiative transfer results are applied to several action spectra and to an instrument response function corresponding to the Solar Light 501 meter. The effect of changing ozone on two plant damage action spectra are shown for plants with high sensitivity to UVB (280-315 run) and those with lower sensitivity, showing that the probability for plant damage for the latter has increased since 1979, especially at middle to high latitudes in the Southern Hemisphere. Similarly, there has been an increase in rates of erythemal skin damage and pre-vitamin D3 production corresponding to measured ozone decreases. An example conversion function is derived to obtain erythemal irradiances and the UV index from measurements with the Solar Light 501 instrument response function. An analytic expressions is given to convert changes in erythemal irradiances to changes in CIE vitamin-D action spectrum weighted irradiances.

Herman, Jay R.↗
NASA NTRS1990

An estimator-predictor approach to PLL loop filter design

The design of digital phase locked loops (DPLL) using estimation theory concepts in the selection of a loop filter is presented. The key concept, that the DPLL closed-loop transfer function is decomposed into an estimator and a predictor, is discussed. The estimator provides recursive estimates of phase, frequency, and higher-order derivatives, and the predictor compensates for the transport lag inherent in the loop.

Statman, Joseph I.↗
DOE OSTI2020

A light weight regularization for wave function parameter gradients in quantum Monte Carlo

The parameter derivative of the expectation value of the energy, ∂E/∂p, is a key ingredient in variational Monte Carlo (VMC) wave function optimization methods. In some cases, a naïve estimate of this derivative suffers from an infinite variance, which inhibits the efficiency of optimization methods that rely on a stable estimate of the derivative. In this work, we derive a simple regularization of the naïve estimator, which is trivial to implement in existing VMC codes, has finite variance, and a negligible bias, which can be extrapolated to zero bias with no extra cost. We use this estimator to construct an unbiased, finite variance estimation of ∂E/∂p for a multi-Slater–Jastrow trial wave function on the LiH molecule and in the optimization of a multi-Slater–Jastrow trial wave function on the CuO molecule. This regularized estimator is a simple and efficient estimator of ∂E/∂p for VMC optimization techniques.

36 MATERIALS SCIENCE↗
NASA NTRS2019

A Comparative Study on Computation of Cumulative Distribution Function in Predicting Time of Failure of Engineering Systems

Estimating accurate Time-of-Failure (ToF) of a system is key in making the decisions that impact operational safety and optimize cost. In this context, it is interesting to note that different approaches have been explored to tackle the problem of estimating ToF. The difference is in part characterized by different definitions of the hazard zones. The conventional definition for the cumulative distribution function (CDF) calculation is assumed to have well-defined hazard zones, that is, hazard zones defined as a function of the system state trajectory. An alternate method suggests the use of hazard zones defined as a function of the system state at time , instead of hazard zones defined as a function of system state up to and including time k (Acuna and Orchard 2018, 2017). This paper explores these differences and their impact on ToF estimation. Results for the conventional CDF definition indicated that, (i) the cumulative distribution function is always an increasing function of time, even when realizations of the degradation process are not monotonic, (ii) the sum of all probabilities is always 1 and does not need to be normalized, and (iii) all probabilities are positive and less than or equal to 1. Similar results are not observed for CDF calculation with hazard zones defined as a function only of the system state at time . Results for ToF estimation using Acuna's definition differ, suggesting that there is an underlying assumption of independence in the hazard zone definition. Therefore, we present an alternate definition of hazard zone which guarantees the properties of a well-defined CDF with a more straightforward ToF definition.

Hazard Zone↗
DOE OSTI2024

Random insights into the complexity of two-dimensional tensor network calculations

Projected entangled pair states (PEPS) offer memory-efficient representations of some quantum many-body states that obey an entanglement area law and are the basis for classical simulations of ground states in two-dimensional (2d) condensed matter systems. However, rigorous results show that exactly computing observables from a 2d PEPS state is generically a computationally hard problem. Yet approximation schemes for computing properties of 2d PEPS are regularly used, and empirically seen to succeed, for a large subclass of (“not too entangled”) condensed matter ground states. Adopting the philosophy of random matrix theory, in this work, we analyze the complexity of approximately contracting a 2d random PEPS by exploiting an analytic mapping to an effective replicated statistical mechanics model that permits a controlled analysis at a large bond dimension. Through this statistical-mechanics lens, we argue that (i) although approximately sampling wave-function amplitudes of random PEPS faces a computational-complexity phase transition above a critical bond dimension, and (ii) one can generically efficiently estimate the norm and correlation functions for any finite bond dimension. Furthermore, these results are supported numerically for various bond-dimension regimes. It is an important open question whether the above results for random PEPS apply more generally also to PEPS representing physically relevant ground states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

An estimator-predictor approach to PLL loop filter design

An approach to the design of digital phase locked loops (DPLLs), using estimation theory concepts in the selection of a loop filter, is presented. The key concept is that the DPLL closed-loop transfer function is decomposed into an estimator and a predictor. The estimator provides recursive estimates of phase, frequency, and higher order derivatives, while the predictor compensates for the transport lag inherent in the loop. This decomposition results in a straightforward loop filter design procedure, enabling use of techniques from optimal and sub-optimal estimation theory. A design example for a particular choice of estimator is presented, followed by analysis of the associated bandwidth, gain margin, and steady state errors caused by unmodeled dynamics. This approach is under consideration for the design of the Deep Space Network (DSN) Advanced Receiver Carrier DPLL.

Statman, J. I.↗
NASA NTRS2011

Intelligent Control for Drag Reduction on the X-48B Vehicle

This paper focuses on the development of an intelligent control technology for in-flight drag reduction. The system is integrated with and demonstrated on the full X-48B nonlinear simulation. The intelligent control system utilizes a peak-seeking control method implemented with a time-varying Kalman filter. Performance functional coordinate and magnitude measurements, or independent and dependent parameters respectively, are used by the Kalman filter to provide the system with gradient estimates of the designed performance function which is used to drive the system toward a local minimum in a steepestdescent approach. To ensure ease of integration and algorithm performance, a single-input single-output approach was chosen. The framework, specific implementation considerations, simulation results, and flight feasibility issues related to this platform are discussed.

Griffin, Brian Joseph↗
DOE OSTI2025

Computational Optimization of 133m Xe Production via Neutron Irradiation in a TRIGA Reactor

Here, the Comprehensive Nuclear-Test-Ban Treaty bans all nuclear tests worldwide. As part of treaty compliance, the concentration of radioactive nuclides in the atmosphere is monitored to detect nuclear weapons tests. Radioactive noble gas fission products, specifically radioxenon, can vent into the atmosphere after a nuclear weapons test, even if the test is well contained underground or underwater. Radioxenon thus serves as a signal for nuclear weapons tests. All atmospheric monitoring systems require samples of radioxenon isotopes for detector calibration, quality control, and certification. Here, we present a novel, improved method for creating samples of 133m Xe via neutron irradiation of 132 Xe in the Washington State University TRIGA reactor. 132 Xe neutron absorption results in either 133 Xe or 133m Xe—thermal neutron absorption results in 133m Xe 12% of the time, while fast neutron absorption (above ~1 MeV) results in 133m Xe ~50% of the time. To optimize the production of 133m Xe via neutron absorption in 132 Xe in the thermal TRIGA reactor, spectral tuning using an irradiation chamber is required to maximize the fraction of fast neutrons being absorbed and minimize the number of thermal neutrons interacting with the 132 Xe. We used MCNP to tally 132 Xe absorptions with the isotopic tally function, flux tallies and neutron attenuation to estimate the number of neutrons reaching the 132 Xe through the irradiation chamber, and the adjoint importance function to improve the source strength estimate. Additionally, we performed a heat transfer analysis for safety considerations. It was determined that the use of a 96% enriched 10 B boron carbide chamber, placed next to the fuel elements in reactor position D8, increases the 133m Xe/ 133 Xe activity ratio from a baseline value of 0.3 to 1.0, a 233% increase. Additionally, it was determined that the alpha heating produced in the boron does not become an unmanageable problem in the Washington State University reactor.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2022

Update of the Nuclear Criticality Slide Rule: Review of the Estimation of the Number of Fissions

IRSN (France), LLNL (USA) and ORNL (USA) began a long-term collaboration effort in 2015 to update the nuclear criticality Slide Rule (https://ncsp.llnl.gov/analytical-methods/criticality-sliderule) for the emergency response to a nuclear criticality accident. The Slide Rule permits the estimation of neutron and gamma dose rates and integrated doses based upon estimated fission yields, as a function of distance from the fission source, and time after criticality accidents for different critical systems. This paper presents the review of the section “estimation of the number of fissions”, named “fission yield” in the Slide Rule document. This estimation is important because the other information provided by the Slide Rule is directly proportional to the number of fissions. The previous models, based on Hansen and Barbry formulae, will be presented with their associated assumptions and limitations. Then, new proposals will be presented with a comparison to past criticality accidents and experimental data. The new formulae, based on the heat energy equation, cover many types of criticality accidents (solution, dry or low-moderated powder, rods/assemblies in water and dry metal) and require limited information in an emergency situation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1985

Radiation pressure-driven shocks in winds from hot stars

The dynamical theory of radiation-pressure-driven shocks in winds from early-type stars is outlined. After the principal parameters needed for a description of these shocks are isolated (speeds relative to incoming material and their column densities), the shocks' principal properties as functions of these parameters are estimated. The special case of time-steady shocks is examined, and calculations are given for density, ionization state, temperature, and flow velocity as functions of position; also calculated are X-ray emissivity, UV line emissivity, and total radiation force as functions of shock velocity and postshock column density.

Krolik, J. H.↗