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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.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Interplume Velocity and Extinction Imaging Measurements To Understand Spray Collapse When Varying Injection Duration Or Number Of Injections

The collapse or merging of individual plumes of direct-injection gasoline injectors is of fundamental importance to engine performance because of its impact on fuel-air mixing. However, the mechanisms of spray collapse are not fully understood. The purpose of this work is to study the effects of injection duration and multiple injections on the interaction and/or collapse of multi-plume GDI sprays. High-speed (100 kHz) Particle Image Velocimetry (PIV) is applied along a plane between plumes to observe the full temporal evolution of plume-interaction and potential collapse, resolved for individual injection events. Supporting information along a line of sight is obtained using Diffused Back Illumination (DBI). Experiments are performed under simulated engine conditions using a symmetric 8-hole injector in a high-temperature, high-pressure vessel at the "Spray G" operating conditions of the Engine Combustion Network (ECN). Longer injection duration is found to promote plume collapse, while staging fuel delivery with multiple, shorter injections is resistant to plume collapse.

42 ENGINEERING↗
DOE OSTI2015

Three-dimensional local ALE-FEM method for fluid flow in domains containing moving boundaries/objects interfaces

A three-dimensional finite element method for the numerical simulations of fluid flow in domains containing moving rigid objects or boundaries is developed. The method falls into the general category of Arbitrary Lagrangian Eulerian methods; it is based on a fixed mesh that is locally adapted in the immediate vicinity of the moving interfaces and reverts to its original shape once the moving interfaces go past the elements. The moving interfaces are defined by separate sets of marker points so that the global mesh is independent of interface movement and the possibility of mesh entanglement is eliminated. The results is a fully robust formulation capable of calculating on domains of complex geometry with moving boundaries or devises that can also have a complex geometry without danger of the mesh becoming unsuitable due to its continuous deformation thus eliminating the need for repeated re-meshing and interpolation. Moreover, the boundary conditions on the interfaces are imposed exactly. This work is intended to support the internal combustion engines simulator KIVA developed at Los Alamos National Laboratories. The model's capabilities are illustrated through application to incompressible flows in different geometrical settings that show the robustness and flexibility of the technique to perform simulations involving moving boundaries in a three-dimensional domain.

16 TIDAL AND WAVE POWER↗
DOE OSTI2017

Inter-plume aerodynamics for gasoline spray collapse

The collapse or merging of individual plumes of direct-injection gasoline injectors is of fundamental importance to engine performance because of its impact on fuel–air mixing. But, the mechanisms of spray collapse are not fully understood and are difficult to predict. The purpose of this work is to study the aerodynamics in the inter-spray region, which can potentially lead to plume collapse. High-speed (100 kHz) particle image velocimetry is applied along a plane between plumes to observe the full temporal evolution of plume interaction and potential collapse, resolved for individual injection events. Supporting information along a line of sight is obtained using simultaneous diffused back illumination and Mie-scatter techniques. Experiments are performed under simulated engine conditions using a symmetric eight-hole injector in a high-temperature, high-pressure vessel at the “Spray G” operating conditions of the engine combustion network. Indicators of plume interaction and collapse include changes in counter-flow recirculation of ambient gas toward the injector along the axis of the injector or in the inter-plume region between plumes. Furthermore, the effect of ambient temperature and gas density on the inter-plume aerodynamics and the subsequent plume collapse are assessed. Increasing ambient temperature or density, with enhanced vaporization and momentum exchange, accelerates the plume interaction. Plume direction progressively shifts toward the injector axis with time, demonstrating that the plume interaction and collapse are inherently transient.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Model Development for Multi-Component Fuel Vaporization and Flash Boiling

The objectives of this project are to improve the multi-component fuel droplet and film vaporization models used in internal combustion engine simulation, and to develop a comprehensive model to predict the characteristics of multi-component flash boiling spray. This work explores two approaches to fuel composition treatment for modeling multi-component fuel vaporization: one based on discretization and surrogates, and the other based on continuous thermodynamic distribution of fuel properties. The experimental data collected for model validation are done under three fuel form factors: droplet, spray, and thin film. The study on sprays also include experimentation under non-flash and flash boiling conditions, a phenomenon that enhances fuel vaporization. The main goals of this work are: Design and develop a multi-component fuel droplet and wall film vaporization model using both discrete and continuous thermodynamics methods. Design and develop an analytical model for multi-component flash boiling. Integrate the multi-component droplet and film model into multi-dimensional engine calculations to predict the fuel vaporization process under engine operation condition. Conduct multi-component droplet and fuel film vaporization experiments in a non-combusting chamber to verify the proposed vaporization models. Characterize flash boiling phenomena of multi-component fuel sprays by optical and laser diagnostic techniques. This report will detail the experimental setup and the numerical basis for developing a model to achieve the main goals listed above. Key features of observed multi-component fuel vaporization will be summarized at the end of each experimental sections, and corresponding model performance evaluation will be presented at the end of each model development section.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

URBANopt: An Open-Source Software Development Kit for Community and Urban District Energy Modeling: Preprint

Urban building modeling tools are developing rapidly; these tools use emerging simulation workflows for specific urban environmental design tasks, such as assessing the impacts of energy efficiency technologies at a district scale. However, with the emergence of new environmental design tasks, addressing all possible use cases and tasks is challenging and cannot be covered by a single tool. Urban-scale analysis at this level of complexity often requires linking multiple emerging tools, rather than using a single tool, to adequately evaluate a variety of possible fields in urban environmental design. To achieve this, flexible platforms are needed to support multiple input formats (e.g., geometric and non-geometric building properties), enabling the mapping of such inputs to underlying simulation engines. This paper provides an overview of the open-source URBANopt Software Development Kit (SDK) for modeling high-performance buildings and energy systems at a district scale. URBANopt's flexible SDK is composed of several modules that can be customized to integrate with other tools and generate new workflows to perform urban environmental design tasks, such as capturing interactions between individual buildings, district energy systems, distributed energy resources, and the electric distribution grid. We describe the functionality of the core SDK modules in URBANopt (called Core Gem, GeoJSON Gem, and Scenario Gem) and discuss the flexibility of these modules as a means of integration with a variety of tools. We also document and demonstrate technical details of writing and combining new modules to create customized workflows. Finally, we present a case study that uses the URBANopt SDK to model a hypothetical mixed-use urban project and simulate various scenarios to meet district energy performance goals.

buildings↗
DOE OSTI2023

ResStock™ v3.2.0 [SWR-19-15 and SWR-20-07]

The ResStock™ analysis tool was built on NREL's OpenStudio® platform, and is a project geared at modeling existing residential building stocks at national, regional, or local scales with a high-degree of granularity (e.g., one physics-based simulation model for every 200 dwelling units), using the EnergyPlus® simulation engine. Information about ComStock™, a sister tool for modeling the commercial building stock, can be found here: https://www.nrel.gov/buildings/comstock.html This repository contains: Housing characteristics of the U.S. residential building stock, in the form of conditional probability distributions stored as tab-separated value (.tsv) files. Comments at the bottom of each file document data sources and assumptions for each. A library of housing characteristic "options" that translate high-level characteristic parameters into arguments for OpenStudio measures, and which are referenced by the housing characteristic .tsv files and building energy upgrades defined in project definition files Project definition files: v2.3.0 and later: buildstockbatch YML files openable in any text editor v2.2.5 and prior: Project folder openable in PAT Unit-level OpenStudio Measures for automatically constructing OpenStudio Models of each representative dwelling unit model: v3.0.0 and later: OpenStudio-HPXML Measures v2.5.0 and prior: OpenStudio Measures Higher-level OpenStudio Measures for controlling simulation inputs and outputs This repository does not contain software for running ResStock simulations, which can be found as follows: Versions 2.3.0 and later only support the use of buildstockbatch for deploying simulations on high-performance or cloud computing. Version 2.3.0 also removed separate projects for single-family detached and multifamily buildings, in lieu of a combined project_national representing the U.S. residential building stock. See the changelog for more details. Versions 2.2.5 and prior support the use of the publicly available OpenStudio-PAT software as an interface for deploying simulations on cloud computing. Read the documentation for v2.2.5.

Horowitz, Scott↗
DOE OSTI2015

A defense in depth approach for nuclear power plant accident management

An initiating event may lead to a severe accident if the plant safety functions have been challenged or operators do not follow the appropriate accident management procedures. Beyond design basis accidents are those corresponding to events of very low occurrence probability but such an accident may lead to significant consequences. The defense in depth approach is important to assure nuclear safety even in a severe accident. Plant Damage States (PDS) can be defined by the combination of the possible values for each of the PDS parameters which are showed on the nuclear power plant simulator. PDS is used to identify what the initiating event is, and can also give the information of safety system's status whether they are bypassed, inoperable or not. Initiating event and safety system's status are used in the construction of Containment Event Tree (CET) to determine containment failure modes by using probabilistic risk assessment (PRA) technique. Different initiating events will correspond to different CETs. With these CETs, the core melt frequency of an initiating event can be found. The use of Plant Damage States (PDS) is a symptom-oriented approach. On the other hand, the use of Containment Event Tree (CET) is an event-oriented approach. In this study, the Taiwan's fourth nuclear power plants, the Lungmen nuclear power station (LNPS), which is an advanced boiling water reactor (ABWR) with fully digitized instrumentation and control (I and C) system is chosen as the target plant. The LNPS full scope engineering simulator is used to generate the testing data for method development. The following common initiating events are considered in this study: loss of coolant accidents (LOCA), total loss of feedwater (TLOFW), loss of offsite power (LOOP), station blackout (SBO). Studies have indicated that the combination of the symptom-oriented approach and the event-oriented approach can be helpful to find mitigation strategies and is useful for the accident management. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Experimental validation of an organic rankine-vapor compression cooling cycle using low GWP refrigerant R1234ze(E)

There is a significant global opportunity to capture and utilize low grade waste heat to reduce fossil fuel consumption, greenhouse gas emissions, and improve energy efficiency across a wide range of industries. In this work, an advanced type of thermally activated cooling system, an organic Rankine-vapor compression cycle (ORVC) with novel heat integration strategies, was designed and tested at a relevant scale for industrial waste heat recovery (300 kW th cooling capacity). The ORVC linked an organic Rankine power cycle and a vapor compression cooling cycle using a turbine and compressor that shared a single shaft. The ORVC test facility absorbed waste heat from a liquid stream at 91 °C to simulate engine coolant in diesel generator sets, rejected heat to a glycol stream at 30 °C, and generated chilled water at 7 °C. A cooling capacity of 264 kW ± 3.5 kW was experimentally validated with a COP of 0.56 ± 0.01 during steady-state operation at the design temperatures. The thermal efficiency, accounting for pump work, of the Rankine cycle was 7.7% ± 0.22% and the COP of the vapor compression cycle was 5.25 ± 0.09. The centrifugal turbo-compressor operated at 31.5 kRPM ± 0.3 kRPM, with a turbine and compressor isentropic efficiencies of 76.7% ± 0.90% and 84.8% ± 0.54%, respectively, with near-perfect power transmission between these components. The pressure drop in the piping and heat exchangers were significantly larger than expected which had a detrimental impact on the performance of the ORVC. In addition, the condenser on the cooling cycle could not deliver the subcooling as specified from the design point modeling. Furthermore, the results from the sensitivity analysis showed that the higher condenser glycol outlet temperature had the largest impact on performance, which is consistent with other analytical models in the literature. When the ORVC simulations were updated with experimental values for isentropic efficiencies of the turbomachinery, the thermal COP was 0.66 which represents an estimate of the predicted performance if test facility limitations are overcome.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

Influence of NOx Chemistry on the Prediction of Natural Gas End-Gas Autoignition

Research on the influence of NOx (NO/NO2) chemistry on HC oxidation has shown that NOx plays an important role in the promotion/inhibition of HC autoignition [1-6]. Current data for n-heptane, iso-octane, ethanol, and toluene [3, 4] have shown that NO chemistry inhibits autoignition at low temperatures and concentrations. However, at medium and high temperatures and low concentrations, autoignition is promoted, decreasing the Negative Temperature Coefficient (NTC) effect. This autoignition promotion, however, becomes weaker as NO concentrations are increased. Additionally, fundamental kinetics studies have suggested that NOx chemistry also promotes the autoignition of smaller HC, such as CH4 [7-10], C2H6 [11-14], and C3H8 [15]. Additionally to the chemical kinetics studies, a growing body of evidence supports the importance of NOx chemistry on SI engine simulations [16, 17]. Foong et al. [18] suggested that the addition of NO in their models significantly improved the agreement between simulations and experiments where the onset of knock was advanced due to the presence of NO, and Morganti et al. [19] showed that NO addition in the residual-gas was necessary for their models to obtain good agreement with experimental data. Lastly, Mohr et al. [20, 21] investigated the effect of Natural Gas (NG) reactivity and EGR substitution rate and composition on homogeneous ignition delay, flame speeds, and EGAI for stoichiometric NG/oxidizer/EGR blends. They observed that the addition of EGR composed of only inert species (CO2 and Ar) suppressed homogeneous autoignition in all NG fuels tested under all conditions. However, for all NG fuels tested, increasing EGR rates with reactive species (Ar, CO2, CO, and NO) promoted homogeneous autoignition under all conditions, thus reproducing the same trends for various NG fuel compositions that were observed in other studies and fuels. For this reason, a study is being conducted to analyze the effects of NOx chemistry on the prediction of NG/air/EGR homogeneous autoignition. This study has been divided into two tasks. First, the addition of NOx chemistry to the ARIES82 mechanism [20] is being validated using homogeneous ignition delay data collected by Mohr [20, 21]. Second, once the new modified mechanism with NOx reactions has been validated, it will be employed on engine multi-dimensional modeling presented in [22, 23] to analyze the influence of NOx chemistry on NG EGAI. Results thus far have shown that homogeneous ignition delay calculations are sensitive to NOx chemistry, where the modified mechanisms captured well all trends and closely matched the homogeneous ignition delays observed by Mohr et al. Also, the results in this work suggest that NOx chemistry is necessary to correctly capture the trends in NG homogeneous autoignition when EGR with reactive species is used since the opposite behavior is observed when only inert species are considered for the EGR composition.

03 NATURAL GAS↗
DOE OSTI2021

Verification of Data-Driven Models of Physical Phenomena using Interpretable Approximation

Machine-learned models, specifically neural networks, are increasingly used as “closures” or “constitutive models” in engineering simulators to represent fine-scale physical phenomena that are too computationally expensive to resolve explicitly. However, these neural net models of unresolved physical phenomena tend to fail unpredictably and are therefore not used in mission-critical simulations. In this report, we describe new methods to authenticate them, i.e., to determine the (physical) information content of their training datasets, qualify the scenarios where they may be used and to verify that the neural net, as trained, adhere to physics theory. We demonstrate these methods with neural net closure of turbulent phenomena used in Reynolds Averaged Navier-Stokes equations. We show the types of turbulent physics extant in our training datasets, and, using a test flow of an impinging jet, identify the exact locations where the neural network would be extrapolating i.e., where it would be used outside the feature-space where it was trained. Using Generalized Linear Mixed Models, we also generate explanations of the neural net (à la Local Interpretable Model agnostic Explanations) at prototypes placed in the training data and compare them with approximate analytical models from turbulence theory. Finally, we verify our findings by reproducing them using two different methods.

42 ENGINEERING↗
DOE OSTI2014

SU-E-T-523: On the Radiobiological Impact of Lateral Scatter in Proton Beams

Introduction: In proton therapy, justified concern has been voiced with respect to an increased efficiency in cell kill at the distal end of the Bragg peak. This coupled with range uncertainty is a counter indication to use the Bragg peak to define the border of a treated volume with a critical organ. An alternative is to use the lateral edge of the proton beam, obtaining more robust plans. We investigate the spectral and biological effects of the lateral scatter . Methods: A general purpose Monte Carlo simulation engine (MCNPX 2.7c) installed on a Scientific Linux cluster, calculated the dose deposition spectrum of protons, knock on electrons and generated neutrons for a proton beam with maximal kinetic energy of 200MeV. Around the beam at different positions in the beam direction the spectrum is calculated in concentric rings of thickness 1cm. The deposited dose is converted to a double strand break map using an analytical expression.based on micro dosimetric calculations using a phenomenological Monte Carlo code (MCDS). A strict version of RBE is defined as the ratio of generation of double strand breaks in the different modalities. To generate the reference a Varian linac was modelled in MCNPX and the generated electron dose deposition spectrum was used . Results: On a pristine point source 200MeV beam the RBE before the Bragg peak was of the order of 1.1, increasing to 1.7 right behind the Bragg peak. When using a physically more realistic beam of 10cm diameter the effect was smaller. Both the lateral dose and RBE increased with increasing beam depth, generating a dose deposition with mixed biological effect. Conclusions: The dose deposition in proton beams need to be carefully examined because the biological effect will be different depending on the treatment geometry. Deeply penetrating proton beams generate more biologically effective lateral scatter.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2014

ActiveSpaces: Exploring dynamic code deployment for extreme scale data processing: ActiveSpaces: Exploring dynamic code deployment for extreme scale data processing

Managing the large volumes of data produced by emerging scientific and engineering simulations running on leadership-class resources has become a critical challenge. The data have to be extracted off the computing nodes and transported to consumer nodes so that it can be processed, analyzed, visualized, archived, and so on. Several recent research efforts have addressed data-related challenges at different levels. One attractive approach is to offload expensive input/output operations to a smaller set of dedicated computing nodes known as a staging area. However, even using this approach, the data still have to be moved from the staging area to consumer nodes for processing, which continues to be a bottleneck. In this paper, we investigate an alternate approach, namely moving the data-processing code to the staging area instead of moving the data to the data-processing code. Specifically, we describe the ActiveSpaces framework, which provides (1) programming support for defining the data-processing routines to be downloaded to the staging area and (2) runtime mechanisms for transporting codes associated with these routines to the staging area, executing the routines on the nodes that are part of the staging area, and returning the results. We also present an experimental performance evaluation of ActiveSpaces using applications running on the Cray XT5 at Oak Ridge National Laboratory. Finally, we use a coupled fusion application workflow to explore the trade-offs between transporting data and transporting the code required for data processing during coupling, and we characterize sweet spots for each option.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Performance model-directed data sieving for high-performance I/O

Many scientific computing applications and engineering simulations exhibit noncontiguous I/O access patterns. Data sieving is an important technique to improve the performance of noncontiguous I/O accesses by combining small and noncontiguous requests into a large and contiguous request. It has been proven effective even though more data are potentially accessed than demanded. In this study, we propose a new data sieving approach namely performance model-directed data sieving, or PMD data sieving in short. It improves the existing data sieving approach from two aspects: (1) dynamically determines when it is beneficial to perform data sieving; and (2) dynamically determines how to perform data sieving if beneficial. It improves the performance of the existing data sieving approach considerably and reduces the memory consumption as verified by both theoretical analysis and experimental results. Given the importance of supporting noncontiguous accesses effectively and reducing the memory pressure in a large-scale system, the proposed PMD data sieving approach in this research holds a great promise and will have an impact on high-performance I/O systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Enhancing EnergyPlus capabilities to model dynamic building envelopes using python plugin

Nearly half of the energy consumption in the United States is related to buildings, resulting in an urgent need to develop innovative technologies to improve building energy efficiency. Dynamic building envelopes, comprising switchable insulation and thermal energy storage materials, have been proposed recently as a promising solution to reduce buildings' heating and cooling loads by thermally coupling the indoor environment with the ambient environment when beneficial while decoupling them when outdoor conditions are not favorable. Although various related technologies are still underway, the whole-building energy modeling tools, like EnergyPlus, do not have the capability to simulate the transient and dynamic nature of dynamic envelope materials and components to accurately predict their impact on building energy use. The objective of this study is to formulate a method in EnergyPlus simulation engine to model multilayer envelopes, comprising dynamic building materials with variable thermophysical properties, and discuss the changes made to the program using a Python plugin. Furthermore, the thermal performance of the dynamic envelopes using the proposed method is compared and verified with the results from a well-established commercial code, COMSOL Multiphysics. A parametric assessment is also conducted to evaluate the energy efficiency benefits of dynamic envelopes in a single-family residential building, demonstrating total annual energy savings up to 11.6 %, when a dynamic envelope operates alone, and up to 18.2 % when it is combined with a thin layer of phase change material as a thermal storage medium. Finally, a United States wide energy efficiency assessment is presented to showcase the geographical spread of the energy savings. The method designed and implemented in this study provides the researchers with the ability to implement their dynamic insulation methods in EnergyPlus and evaluate the whole building energy impact.

25 ENERGY STORAGE↗
DOE OSTI2015

Scaling relation for high-temperature biodiesel surrogate ignition delay times

High-temperature Arrhenius ignition delay time correlations are useful for revealing the underlying parameter dependencies of combustion models, for simplifying and optimizing combustion mechanisms for use in engine simulations, for scaling experimental data to new conditions for comparison purposes, and for guiding in experimental design. Here, we have developed a scaling relationship for Fatty Acid Methyl Ester (FAME) ignition time data taken at high temperatures in 4%O 2 /Ar mixtures behind reflected shocks using an aerosol shock tube: τ ign [ms] = 2.24 x 10 -6 [ms] (P [atm]) -.41 ($\phi$) 0.30 (C n ) -.61 x exp $$ \left(\frac{37.1 [kcal/mol]}{\hat{R}_u [kcal / mol K] T [K]}\right) $$ In addition, we have combined our ignition delay time data for methyl decanoate, methyl palmitate, methyl oleate, and methyl linoleate with other experimental results in the literature in order to derive fuel-specific oxygen-mole-fraction scaling parameters for these surrogates. In conclusion, in this article, we discuss the significance of the parameter values, compare our correlation to others found in the literature for different classes of fuels, and contrast the above expression’s performance with correlations obtained using leading FAME kinetic models in 4%O 2 /Ar mixtures.

09 BIOMASS FUELS↗
DOE OSTI2017

Large scale centrifuge test of a geomembrane-lined landfill subject to waste settlement and seismic loading

Highlights: • A large centrifuge model of a geomembrane-lined landfill was seismically loaded. • The scaled peak acceleration of the strongest input motion was 0.6 g. • Laboratory testing was conducted to obtain properties of the model materials. • Collected data included liner strains due to downdrag and seismic loading. • Results show that settlement and seismic loading can potentially damage geomembranes. • Results can be used to validate numerical models for geomembrane performance. •The laboratory and centrifuge testing data is publicly available. - Abstract: A large scale centrifuge test of a geomembrane-lined landfill subject to waste settlement and seismic loading was conducted to help validate a numerical model for performance based design of geomembrane liner systems. The test was conducted using the 240 g-ton centrifuge at the University of California at Davis under the U.S. National Science Foundation Network for Earthquake Engineering Simulation Research (NEESR) program. A 0.05 mm thin film membrane was used to model the liner. The waste was modeled using a peat-sand mixture. The side slope membrane was underlain by lubricated low density polyethylene to maximize the difference between the interface shear strength on the top and bottom of the geomembrane and the induced tension in it. Instrumentation included thin film strain gages to monitor geomembrane strains and accelerometers to monitor seismic excitation. The model was subjected to an input design motion intended to simulate strong ground motion from the 1994 Hyogo-ken Nanbu earthquake. Results indicate that downdrag waste settlement and seismic loading together, and possibly each phenomenon individually, can induce potentially damaging tensile strains in geomembrane liners. The data collected from this test is publically available and can be used to validate numerical models for the performance of geomembrane liner systems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Probing the Chemical Kinetics of Minimalist Functional Group Gasoline Surrogates

We report surrogate mixtures are routinely used for understanding gasoline fuel combustion in engine simulations. The general trend in surrogate formulation has been to increase the number of fuel components in a mixture to better emulate real fuel properties. Recently, a new surrogate design strategy based on functional group analysis of real gasolines was proposed using a minimal number of species [minimalist functional group (MFG)-approach]. MFG surrogates (having just one or two components) could experimentally capture the ignition delay time (IDT), threshold sooting index, and smoke point of different gasoline fuels with hundreds of components. However, other combustion characteristics were not explored, and kinetic modeling of MFG surrogates was not reported. These aspects are addressed in this paper, where the combustion behavior of MFG surrogates for various gasolines was assessed by simulating IDT, jet-stirred reactor oxidation, and premixed laminar flame speeds using chemical kinetic modeling. MFG simulations were compared with experimental data of the real gasolines as well as with the more complex multicomponent (five to nine species) surrogates. This study reveals that binary MFG surrogate mixtures are capable of accurately simulating the combustion behavior of more complex gasoline fuels with hundreds of components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

GQLink: an implementation of Quantized State Systems (QSS) methods in Geant4

Simulations in high energy physics (HEP) often require the numerical solution of ordinary differential equations (ODE) to determine the trajectories of charged particles in a magnetic field when particles move throughout detector volumes. Each crossing of a volume interrupts the underlying numerical method that solves the equations of motion, triggering iterative algorithms to estimate the intersection point within a given accuracy. The computational cost of this procedure can grow significantly depending on the application at hand. Quantized State System (QSS) is a recent family of discrete-event driven numerical methods exhibiting attractive features for this type of problems, such as native dense output (sequences of polynomial segments updated only by accuracy-driven events) and lightweight detection and handling of volume crossings. In this work we present GQLink, a proof-of-concept integration of QSS with the Geant4 simulation toolkit which stands as an interface for co-simulation that orchestrates robustly and transparently the interaction between the QSS simulation engine and aspects such as geometry definition and physics processes controlled by Geant4. In conclusion, we validate the accuracy and study the performance of the method in simple geometries (subject to intense volume crossing activity) and then in a realistic HEP application using a full CMS detector configuration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗