Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “operator splitting”

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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Oxynitrides enabled photoelectrochemical water splitting with over 3,000 hrs stable operation in practical two-electrode configuration

Solar photoelectrochemical reactions have been considered one of the most promising paths for sustainable energy production. To date, however, there has been no demonstration of semiconductor photoelectrodes with long-term stable operation in a two-electrode configuration, which is required for any practical application. Herein, we demonstrate the stable operation of a photocathode comprising Si and GaN, the two most produced semiconductors in the world, for 3,000 hrs without any performance degradation in two-electrode configurations. Measurements in both three- and two-electrode configurations suggest that surfaces of the GaN nanowires on Si photocathode transform in situ into Ga-O-N that drastically enhances hydrogen evolution and remains stable for 3,000 hrs. First principles calculations further revealed that the in-situ Ga-O-N species exhibit atomic-scale surface metallization. This study overcomes the conventional dilemma between efficiency and stability imposed by extrinsic cocatalysts, offering a path for practical application of photoelectrochemical devices and systems for clean energy.

14 SOLAR ENERGY↗
DOE OSTI2021

Operational Limits of Redox Metal Oxides Performing Thermochemical Water Splitting

Solar thermochemical hydrogen production is an attractive technology that stores intermittent solar energy in the form of chemical bonds. Efficient operation requires the identification of a redox-active metal oxide (MO x ) material that can achieve high conversion of water to hydrogen at minimal energy input. Water splitting occurs by consecutive reduction and reoxidation reactions of MO x . MO x is reduced to MO x-δ and, in the second step, is reoxidized by water recovering the initial MO x and generate H 2 . The material must reduce at temperatures achievable in concentrated solar receiver/reactors, while maintaining a thermodynamic driving force to split water. At equilibrium, extent of reduction depends on temperature and oxygen partial pressure, and in this analysis, a set of thermodynamic properties, namely, enthalpy and entropy of oxygen vacancy formation, is sufficient to represent MO x . Herein, a method to easily classify materials based on these thermodynamic properties under any condition of oxygen partial pressure and temperature is presented. This method is based on fundamental thermodynamic principles and is applicable for any redox material with known thermodynamic properties. Despite the simplicity of the method, it is believed that this analysis will support future research in targeting thermodynamic properties of redox-active metal oxides.

water splitting↗
NASA NTRS2019

Entropy Stable Method for the Euler Equations Revisited: Central Differencing via Entropy Splitting and SBP

The two decades old high order central differencing via entropy splitting and summation-by-parts (SBP) difference boundary closure of Olsson & Oliger, Gerritsen & Olsson, and Yee et al. (15, 7, 37) is revisited. The objective of this paper is to prove for the first time that the entropy split scheme is an entropy stable method for central differencing with SBP operators for both periodic and non-periodic boundary conditions for nonlinear Euler equations. Standard high order spatial central differencing as well as high order central spatial DRP (dispersion relation preserving) spatial differencing is part of the entropy stable methodology framework. The proof is to replace the spatial derivatives by summation-by-parts (SBP) difference operators in the entropy split form of the equations using the physical entropy of the Euler equations. The numerical boundary closure follows directly from the SBP operator. No additional numerical boundary procedure is required. In contrast, Tadmor-type entropy conserving schemes (31) using mathematical entropies and more recently in (35], do not naturally come with a numerical boundary closure and a generalized SBP operator has to be developed (18). Long time integration of 2D and 3D test cases is included to show the comparison of this efficient entropy stable method with the Tadmor-type of entropy conservative methods. Studies also include the comparison among the three skew-symmetric splittings on their nonlinear stability and accuracy performance without added numerical dissipations for smooth flows. These are, namely, entropy splitting, Ducros et al. splitting and the Kennedy & Grubber splitting.

Sjogreen, Bjorn↗
NASA NTRSDate not supplied

Demand Capacity Balancing at Vertiports for Initial Strategic Conflict Management of Urban Air Mobility Operations

Urban Air Mobility (UAM) is a new transportation concept that enables highly automated, cooperative, passenger or cargo-carrying air transportation services in and around urban areas. To achieve the high level of operational density and complexity desired by the UAM community, an airspace system that allows UAM operators to readily access and operate safely and efficiently in the airspace is needed. This airspace system will require air traffic management designed to reduce the risk of conflicts and loss of separation between UAM flights. In general, strategic conflict management is considered as the first layer of conflict management for safe flight operations to condition the traffic to reduce the need for airborne separation provision, the second layer of conflict management. Demand Capacity Balancing (DCB) is one of the concept components to achieve strategic conflict management. DCB strategically evaluates traffic demand and resource capacities to allow UAM operators to determine when, where and how they operate, while mitigating conflicting needs for airspace and vertiport capacity. DCB can be applied whenever UAM demand exceeds the capacity in airspace or at vertiports. As the UAM ecosystem evolves with advanced technologies and matured operational procedures, more complicated conflict management will likely be needed. In the current UAM ‘Concept of Operation (ConOps) 1.0’ operational stage defined by FAA, however, it will be meaningful to explore the demand capacity balancing at vertiports only, as an initial strategic conflict management approach for UAM operations because vertiport capacity seems to be a bottleneck of UAM traffic. For this research, we developed a demand-capacity imbalance detection and resolution service for UAM. This DCB service identifies the demand from operators and compares the demand to a given capacity at the shared resources (i.e., vertiports) over the upcoming time horizon which is divided into time bins having a constant interval. When a new flight plan is submitted, the algorithm embedded in the DCB service checks the available time bins based on the desired departure time and estimated arrival time at origin and destination vertiports, respectively. If the time bins for the originally desired times are already occupied by other flights (i.e., demand is at or above capacity), the algorithm finds the next available time bins for takeoff and landing and shifts the conflicting departure time to the earliest time that satisfies the capacity constraints at both origin and destination vertiports. The details of the algorithm will be described in the final manuscript. Figure 1 shows that the proposed DCB algorithm works well for a sample traffic scenario. In this example, a total of 144 flights, split between two operators, are planned over 2 hours, traveling 10 routes between five vertiports. In the heatmaps, the horizontal axis shows 12 time bins where each bin represents a 12-minute interval, and the vertical axis shows five vertiports. The number in each cell shows the number of operations, counting both departures and arrivals, at a specific vertiport in each time bin. For the given capacity of 2 operations/vertiport/bin, Figure 1 shows that the original demand sometimes exceeds the capacity, but the modified demand is reduced to the given capacity after resolving demand-capacity imbalances. When UAM flights are operated, it is expected that many practical issues would arise in the federated system architecture with multiple operators. UAM operators may experience a time synchronization issue due to communication delay between operator and vehicle. UAM vehicles would fly at different flight speeds, depending on vehicle models. Actual departure and arrival times can have large variations, compared to the schedule. The lead time from flight plan submission to desired departure time can vary by service type (e.g., regular shuttle service vs. on-demand service). Using the proposed DCB algorithm, we also investigated how the actual flight schedule and DCB performance are affected by these uncertainties such as unsynchronized times between operators, flight speed differences, lead time differences, and departure time errors. The final manuscript will include the background of this research work, the description of the DCB algorithm and its use cases with traffic scenarios. It will also provide the analytical results about the impact of various uncertainties that can occur in actual UAM operations on the DCB at vertiports, in terms of demand distribution changes, number of simultaneous operations, and delay propagation.

Urban Air Mobility↗
DOE OSTI2024

A Particle-in-Cell Method for Plasmas with a Generalized Momentum Formulation, Part II: Enforcing the Lorenz Gauge Condition

In a previous paper Christlieb et al. (A particle-in-cell method for plasmas with a generalized momentum formulation, part I: Model formulation, 2024), we developed a new particle-in-cell (PIC) method for the relativistic Vlasov–Maxwell system in which the electromagnetic fields and the equations of motion for the particles were cast in terms of scalar and vector potentials through a Hamiltonian formulation. This new method evolved the potentials under the Lorenz gauge using integral equation methods. New methods to construct spatial derivatives of the potentials that converge at the same rates as the fields were also presented. The new particle method was compared against standard explicit discretizations, including the well-known FDTD-PIC method, for a range of applications involving sheaths and particle beams. Here, this paper extends this new class of methods by focusing on the enforcement the Lorenz gauge condition in both exact and approximate forms using co-located meshes. A time-consistency property of the proposed field solver for the vector potential form of Maxwell’s equations is established, which is shown to preserve the equivalence between the semi-discrete Lorenz gauge condition and the analogous semi-discrete continuity equation. Using this property, we present three methods to enforce a semi-discrete gauge condition. The first method introduces an update for the continuity equation that is consistent with the discretization of the Lorenz gauge condition. Both the finite difference and spectral implementations satisfy this discrete gauge condition to machine precision. The second approach we propose enforces a semi-discrete continuity equation using the boundary integral solution to the field equations. The potential benefit of this approach is that it eliminates spatial derivatives that appear on the particle data, namely the current density, which is often calculated by linear combinations of low-order spline basis functions. This method is ideally suited to boundary integral equation methods that invert multi-dimensional operators without dimensional splitting techniques and will be the subject of future work. The third approach introduces a gauge correcting method that makes direct use of the gauge condition to modify the scalar potential and uses local maps for both the charge and current densities. This results in a gauge error, as the maps do not enforce the continuity equation. The vector potential coming from the current density is taken to be exact, and using the Lorenz gauge, we compute a correction to the scalar potential that makes the two potentials satisfy the gauge condition. This method also enforces the gauge condition to machine precision. We demonstrate two of the proposed methods in the context of periodic domains. Problems defined on bounded domains, including those with complex geometric features remain an ongoing effort. However, this work shows that it is possible to design computationally efficient methods that can effectively enforce the Lorenz gauge condition in a non-staggered PIC formulation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

ZPR/ZPPR Critical Experiment Facilities and As-Built ZPR/ZPPR Models

Argonne National Laboratory (ANL) operated four split-table critical experiment facilities, ZPR 3, ZPR-6, ZPR-9 and ZPPR, between 1955 and 1990. ZPR is the abbreviation for Zero Power Reactor, and ZPPR was the abbreviation for Zero Power Plutonium Reactor which was changed to Zero Power Physics Reactor in the 1980s due to negative views on Plutonium breeding and proliferation concerns. ZPR-3, ZPR-6, ZPR-9 and ZPPR were four reactors in a series of zero power (or lower power reactors) designed at Argonne in the 1950s and 1960s.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2026

L'Arlesienne de ROOT

Over many years, ROOT users have repeatedly stumbled over—and loudly rediscovered—the infamous 1 GB limit on individual I/O operations, a constraint that somehow survived long past the era when anyone thought a gigabyte was “a lot.” As experiments embraced ever-larger objects and collections, this limit became an increasingly unavoidable rite of passage. This contribution recounts the sustained, multi-year quest by ROOT I/O developers to finally retire this relic, navigating a maze of legacy APIs, memory-management assumptions, and integer boundaries that seemed determined to preserve the status quo. We describe how internal interfaces were carefully modernized to introduce fully 64-bit–capable code paths without breaking the mountains of existing user code that would definitely have noticed. With the limit now lifted, ROOT can finally handle multi-gigabyte objects in a single read or write operation, even when splitting them into an RNTuple is not an option (we’re looking at you, large RooWorkspaces and giant histograms), liberating users from yet another “fun” debugging adventure and clearing the way for the massive analyses of the HL-LHC and beyond.

Canal, Philippe G. [Fermilab] (ORCID:0000000277487↗
DOE OSTI2026

L'Arlesienne de ROOT

Over many years, ROOT users have repeatedly stumbled over—and loudly rediscovered—the infamous 1 GB limit on individual I/O operations, a constraint that somehow survived long past the era when anyone thought a gigabyte was “a lot.” As experiments embraced ever-larger objects and collections, this limit became an increasingly unavoidable rite of passage. This contribution recounts the sustained, multi-year quest by ROOT I/O developers to finally retire this relic, navigating a maze of legacy APIs, memory-management assumptions, and integer boundaries that seemed determined to preserve the status quo. We describe how internal interfaces were carefully modernized to introduce fully 64-bit–capable code paths without breaking the mountains of existing user code that would definitely have noticed. With the limit now lifted, ROOT can finally handle multi-gigabyte objects in a single read or write operation, even when splitting them into an RNTuple is not an option (we’re looking at you, large RooWorkspaces and giant histograms), liberating users from yet another “fun” debugging adventure and clearing the way for the massive analyses of the HL-LHC and beyond.

Canal, Philippe G. [Fermilab] (ORCID:0000000277487↗
NASA NTRS1979

Hydrogen as the solar energy translator

Many concepts are being investigated to convert sunlight to workable energy forms with emphasis on electricity and thermal energy. The electrical alternatives include direct conversion of photons to electricity via photovoltaic solar cells and solar/thermal production of electricity via heat-energy cycles. Solar cells, when commercialized, are expected to have efficiencies of about 12 to 14 percent. The cells would be active about eight hours per day. However, solar-operated water-splitting process research, initiated through JPL, shows promise for direct production of hydrogen from sunlight with efficiencies of up to 35 to 40 percent. The hydrogen, a valuable commodity in itself, can also serve as a storable energy form, easily and efficiently converted to electricity by fuel cells and other advanced-technology devices on a 24-hour basis or on demand with an overall efficiency of 25 to 30 percent. Thus, hydrogen serves as the fundamental translator of energy from its solar form to electrical form more effectively, and possibly more efficiently, than direct conversion. Hydrogen also can produce other chemical energy forms using solar energy.

Kelley, J. H.↗
DOE OSTI2024

Speckle contrast from the split-and-delay unit with seeded X-ray pulses of the MID instrument at European XFEL

We report on the coherence properties and characteristics of the split- and-delay unit at the Materials Imaging and Dynamics instrument of the European XFEL under seeded-beam conditions. Our investigation focuses on the speckle contrast extracted from the scattering patterns from static scatterers and pulse splitting characteristics. Seeded-beam operation enabled a high throughput of the split-and-delay unit. We highlight the invaluable potential of the split-and-delay unit for experimental investigations for enhancing our understanding of ultrafast phenomena in molecular liquids, such as water and aqueous solutions.

Fuoss, Paul↗
DOE OSTI2023

Effect of Split-Injection Strategies on Engine Performance and Emissions under Cold-Start Operation

The recently concluded partnership for advancing combustion engines (PACE) was a US Department of Energy consortium involving multiple national laboratories focused on addressing key efficiency and emission barriers in light-duty engines. Generation of detailed experimental data and modeling capabilities to understand and predict cold-start behavior was a major pillar in this program. Cold-start, as defined by the time between first engine crank and three-way catalyst light-off, is responsible for a large percentage of NOx, unburned hydrocarbon, and particulate matter emissions in light-duty engines. Minimizing emissions during cold-start is a trade-off between achieving faster three-way catalyst light-off, and engine out emissions during that period. In this study, engine performance, emissions, and catalyst warmup potential were monitored while the engine was operated using a single direct injection (baseline case) as well as a two-way-equal-split direct injection strategy. These injection strategies were analyzed at a range of cold-start-operation relevant retarded spark timings of up to 25 degrees after top dead center of firing (dATDCf). A stoichiometric 2-bar NIMEP steady-state condition was used for all cases to simulate cold-start operation. Significant improvement in engine stability was observed with the two-way-split injection strategy at the retarded spark timings allowing for up to 2.5x increase in exhaust heat rate when engine operation is stability constrained. Similar fuel-loss-to-oil trends with exhaust heat rate were observed for both single and two-way-split injection strategies. However, the two-way split injection was observed to produce higher NOx emissions per unit exhaust heat rate. A single data point run with three-way-split direct injection at a very retarded spark-timing of 30 dATDCf pointed to further improvements in engine stability and reduction in fuel-loss-to-oil as compared to single injection strategy. Engine stability decreased as spark timing was initially retarded with a single injection but was observed to plateau and stabilize beyond spark timing of 10 dATDCf. Finally, for the two-way-split-injection strategy, retarding the start of injection (SOI) timing of the second injection led to a decrease in engine stability as well as an increase in soot emissions.

42 ENGINEERING↗
NASA NTRS1972

Lunar rock splitter/can sealer

A manually powered and operated force generating device fractures lunar material as received from the moon and seals cans containing lunar samples. The rock splitting and can sealing operations are carried out in a vacuum environment. Can sealing is a cold welding process that requires a pressure of 125,000 psi (generating 32,000 lb for the largest can used). The design and modification of the device and the operating experience are described.

Johnson, K. G.↗
NASA NTRS1993

Point form relativistic quantum mechanics and relativistic SU(6)

The point form is used as a framework for formulating a relativistic quantum mechanics, with the mass operator carrying the interactions of underlying constituents. A symplectic Lie algebra of mass operators is introduced from which a relativistic harmonic oscillator mass operator is formed. Mass splittings within the degenerate harmonic oscillator levels arise from relativistically invariant spin-spin, spin-orbit, and tensor mass operators. Internal flavor (and color) symmetries are introduced which make it possible to formulate a relativistic SU(6) model of baryons (and mesons). Careful attention is paid to the permutation symmetry properties of the hadronic wave functions, which are written as polynomials in Bargmann spaces.

Klink, W. H.↗
NASA NTRSDate not supplied

A New Approach for a Wider Class of Entropy Split Methods for Compressible Gas Dynamics and MHD

The high order entropy split methods of Sjögreen & Yee [1, 2] by entropy splitting of the compressible Euler (inviscid) flux derivatives for a thermally-perfect gas are based on Harten’s entropy function [3, 4, 5]. Their derivation takes advantage of the homogeneity property of Euler flux, symmetrizable Euler flux derivatives and energy-norm stability in conjunction with high order classical spatial central, DRP (dispersion relation-preserving) [6, 7, 8] or Padé (compact) spatial discretizations [9] with summation-by-parts (SBP) operators [10]. Our entropy split methods have been proven entropy conserving and stable [1, 11, 12]. Our proofs do not rely on a two-point numerical flux, but rather only a linear difference operator is required to derive these methods. To extend the entropy split method for the MHD, we used the Godunov symmetrizable non-conservative MHD form [12, 13, 14]. These high order entropy split methods not only preserve certain physical properties of the chosen governing equations but are also known to either improve numerical stability, and/or minimize aliasing errors in long time integration of turbulent flow computations without the aid of added numerical dissipation. In our previous published work, extensive error norm comparison with grid refinement was performed to show the high accuracy performance of these methods. These studies also showed how well the entropy split methods conserve the entropy, momentum and mass, and preserve the kinetic energy for long time integration of the various flows [1, 2, 12, 13, 14]. The objective of the present work is to use a new approach to obtain a wider class of entropy split methods consisting of a two-point numerical flux portion and a non-conservative portion in such a way that the homogeneity property of the compressible Euler flux is not required. For high order classical spatial central, DRP (dispersion relation-preserving) or Padé (compact) spatial discretizations, this new approach can be proven to be entropy conservative with conservative spatial dsicretizations while at the same time allowing a wider class of symmetrizable inviscid flux derivatives. We also use this generalization to derive an entropy split scheme that is entropy conserving for the equations of MHD without the homogeneity property using the Godunov symmetrizable ideal MHD formulation [15].

High Order Physical Preserving Methods↗
DOE OSTI2025

Four no-go theorems on the existence of spin and orbital angular momentum of massless bosons

The past decades have seen substantial interest in the so-called orbital angular momentum (OAM) of light, driven largely by its diverse range of applications. However, there are fundamental theoretical issues with decomposing the angular momentum of massless particles, such as photons, into spin (SAM) and orbital angular momentum parts. While the angular momentum of massive particles has a natural splitting into the Wigner SAM and OAM, there are numerous proposed splittings for photons and no consensus about which is correct. Moreover, it has been shown that most of the proposed SAM and OAM operators do not satisfy the defining commutation relations of angular momentum operators and are thus not legitimate splittings. Here, we prove that it is generally impossible to split the total angular momentum operator of massless bosons, such as photons and gravitons, into spin and orbital parts. We prove two further generalizations of this result, showing that there are no SAM-OAM splittings even if (1) the SAM operator generates non-internal symmetries or (2) if one allows the SAM and OAM operators to generate non-SO(3) symmetries.

Chern numbers↗
DOE OSTI2021

Enhanced Integer Permutation based Genetic Algorithm for Optimization of Tube-Fin Heat Exchanger Circuitry with Splits and Merges

Tube-fin heat exchangers (HXs) are widely used in air-conditioning and heat pump applications. The performance of these heat exchangers is strongly influenced by the refrigerant circuitry. Studies have proved that by optimizing the refrigerant circuitry, the performance of HXs can be significantly improved. In our previous research, an Integer Permutation based Genetic Algorithm (IPGA) was developed to obtain the optimal circuitry designs. Our previous research showed that IPGA demonstrates superior capability to obtain better refrigerant circuitries with lower computational cost than the other methods in literature. And the optimal circuitry designs obtained from IPGA are manufacturable with the available tooling. However, the IPGA developed previously cannot generate designs with splitting and merging of circuits. To remedy this limitation, a new chromosome which can represent circuitry with splitting and merging of circuits is developed. In addition to the six genetic operators implemented previously, two new genetic operators are developed to generate splits and merges. As a result, the enhanced IPGA can explore the solution space more thoroughly than the previous IPGA. A case study using an evaporator from an A-type indoor unit shows that, given the similar capacity improvements obtained from the enhanced IPGA compared with the previous IPGA, the refrigerant pressure drop reduction obtained from the enhanced IPGA is 26.5% compared against 1.0% pressure drop reduction from the previous IPGA. The benchmark of the enhanced IPGA with other methods in literature demonstrates that the enhanced IPGA can generate circuitry designs with performance superior to those obtained from other methods.

LI, Zhenning↗
NASA NTRS1988

Choice of implicit and explicit operators for the upwind differencing method

The flux-vector and flux-difference splittings of Steger-Warming, van Leer and Roe are tested in all possible combinations on the implicit and explicit operators that can be distinguished in implicit relaxation methods for the steady Euler and Navier-Stokes equations. The tests include one-dimensional inviscid nozzle flow, and two-dimensional inviscid and viscous shock reflection. Roe's splitting, as anticipated, is found to uniformly yield the most accurate results. On the other hand, an approximate Roe splitting of the implicit operator (the complete Roe splitting is too complicated for practical use) proves to be the least robust with regard to convergence to the steady state. In this respect, the Steger-Warming splitting is the most robust; it leads to convergence when combined with any of the splittings in the explicit operator, although not necessarily in the most efficient way.

Liou, Meng-Sing↗