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At least 271 records · Page 15

Optimizing Geant4 Hadronic Models

Geant4, the leading detector simulation toolkit used in high energy physics, employs a set of physics models to simulate interactions of particles with matter across a wide range of energies. These models, especially the hadronic ones, rely largely on directly measured cross-sections and inclusive characteristics, and use physically motivated parameters. However, they generally aim to cover a broad range of possible simulation tasks and may not always be optimized for a particular process or a given material. The Geant4 collaboration recently made many parameters of the models accessible via a configuration interface. This opens a possibility to fit simulated distributions to the thin target experimental datasets and extract optimal values of the model parameters and the associated uncertainties. Such efforts are currently undertaken by the Geant4 collaboration with the goal of offering alternative sets of model parameters, also known as "tunes", for certain applications. The effort should subsequently lead to more accurate estimates of the systematic errors in physics measurements given the detector simulation role in performing the physics measurements. Results of the study are presented to illustrate how Geant4 model parameters can be optimized through applying fitting techniques, to improve the agreement between the Geant4 and the experimental data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

High-Performance Transmission and Distribution Co-simulation with 10,000+ Inverter-Based Resources

The inverter-based resource (IBR) has become avery important component in the distribution system. The impacts on system transient stability introduced by high IBR penetration are not fully addressed because of the lack of high-fidelity models. The aggregate IBR model at the transmission level cannot precisely reproduce the dynamics of distributed IBR at the distribution system because of the oversimplification. In this paper, we will develop a high-penetration fully-connected transmission and distribution (T&D) co-simulation platform that supports the simulation of 10,000+ dispersed IBR models. The interfacing and iterative initialization techniques for the co-simulation have been implemented to maintain stable operation and simulation of large-multitude of IBR models. The phasor-domain IBR models with grid-forming (GFM) and grid-following (GFL) control are implemented in the distribution systems simulators. The developed platform is tested on high-performance computing (HPC) resources and can be utilized to explore the hierarchical control strategies of IBRs for the large-scale T&D hybrid system.

Liu, Yuan↗

IEEE 1547-2018 Based Interoperable PV Inverter with Advanced Grid-Support Functions

Grid integration of photovoltaic (PV) inverters has been increasing in the past decade. As a result of the uncertainties introduced with high penetrations of PV, better monitoring and control of the PV inverters becomes crucial for improving overall system stability. This paper focuses on the communications capability of the inverter controller and on enabling interoperability. Multiple standards are available to enable interoperability in PV inverters. In this paper, an interoperable controller, enabled by Distributed Network Protocol 3 (DNP3) communications protocols, is developed for a grid-connected, three-phase PV inverter. The DNP3 server for the PV inverter is programmed on the real-time layer of the field-programmable gate array (FPGA)-based inverter controller. Set points for advanced inverter control functions, such as volt/VAr curves, ride-through curves, are sent from a DNP3 client, a simulated distribution management system application, to the PV inverter through DNP3. This communications capability of the inverter controller is validated using a controller-hardware-in-the-loop experimental setup. The code developed to achieve the interoperability is available in the public domain through open-source software licensing. This interoperability will enable smoother grid integration of smart PV inverters with advanced grid-support functions as well as allow better monitoring and control of PV inverters for grid stability.

14 SOLAR ENERGY↗

TU-F-18A-03: Improving Tissue Segmentation for Monte Carlo Dose Calculation Using DECT Data

Purpose: To develop a new segmentation technique using dual energy CT (DECT) to overcome limitations related to segmentation from a standard Hounsfield unit (HU) to electron density (ED) calibration curve. Both methods are compared with a Monte Carlo analysis of dose distribution. Methods: DECT allows a direct calculation of both ED and effective atomic number (EAN) within a given voxel. The EAN is here defined as a function of the total electron cross-section of a medium. These values can be effectively acquired using a calibrated method from scans at two different energies. A prior stoichiometric calibration on a Gammex RMI phantom allows us to find the parameters to calculate EAN and ED within a voxel. Scans from a Siemens SOMATOM Definition Flash dual source system provided the data for our study. A Monte Carlo analysis compares dose distribution simulated by dosxyz-nrc, considering a head phantom defined by both segmentation techniques. Results: Results from depth dose and dose profile calculations show that materials with different atomic compositions but similar EAN present differences of less than 1%. Therefore, it is possible to define a short list of basis materials from which density can be adapted to imitate interaction behavior of any tissue. Comparison of the dose distributions on both segmentations shows a difference of 50% in dose in areas surrounding bone at low energy. Conclusion: The presented segmentation technique allows a more accurate medium definition in each voxel, especially in areas of tissue transition. Since the behavior of human tissues is highly sensitive at low energies, this reduces the errors on calculated dose distribution. This method could be further developed to optimize the tissue characterization based on anatomic site.

60 APPLIED LIFE SCIENCES↗

CORBASec Used to Secure Distributed Aerospace Propulsion Simulations

The NASA Glenn Research Center and its industry partners are developing a Common Object Request Broker (CORBA) Security (CORBASec) test bed to secure their distributed aerospace propulsion simulations. Glenn has been working with its aerospace propulsion industry partners to deploy the Numerical Propulsion System Simulation (NPSS) object-based technology. NPSS is a program focused on reducing the cost and time in developing aerospace propulsion engines. It was developed by Glenn and is being managed by the NASA Ames Research Center as the lead center reporting directly to NASA Headquarters' Aerospace Technology Enterprise. Glenn is an active domain member of the Object Management Group: an open membership, not-for-profit consortium that produces and manages computer industry specifications (i.e., CORBA) for interoperable enterprise applications. When NPSS is deployed, it will assemble a distributed aerospace propulsion simulation scenario from proprietary analytical CORBA servers and execute them with security afforded by the CORBASec implementation. The NPSS CORBASec test bed was initially developed with the TPBroker Security Service product (Hitachi Computer Products (America), Inc., Waltham, MA) using the Object Request Broker (ORB), which is based on the TPBroker Basic Object Adaptor, and using NPSS software across different firewall products. The test bed has been migrated to the Portable Object Adaptor architecture using the Hitachi Security Service product based on the VisiBroker 4.x ORB (Borland, Scotts Valley, CA) and on the Orbix 2000 ORB (Dublin, Ireland, with U.S. headquarters in Waltham, MA). Glenn, GE Aircraft Engines, and Pratt & Whitney Aircraft are the initial industry partners contributing to the NPSS CORBASec test bed. The test bed uses Security SecurID (RSA Security Inc., Bedford, MA) two-factor token-based authentication together with Hitachi Security Service digital-certificate-based authentication to validate the various NPSS users. The test bed is expected to demonstrate NPSS CORBASec-specific policy functionality, confirm adequate performance, and validate the required Internet configuration in a distributed collaborative aerospace propulsion environment.

Blaser, Tammy M.↗

A Multi-physics Computational Investigation of Droplet Pathogen Transport Eminating from Synthetic Coughs and Breathing

In response to the global SARS-CoV-2 transmission pandemic, Sandia National Laboratories Rapid Lab-Directed Research and Development (LDRD) COVID-19 initiative has deployed a multi-physics, droplet-laden, turbulent low-Mach simulation tool to model pathogen-containing water droplets that emanate from synthetic human coughing and breathing. The low-Mach turbulent Eulerian/point-particle Lagrangian methodology directly couples mass, momentum, energy, and species to capture droplet evaporation physics that supports the ability to distinguish between droplets that deposit and those that persist in the environment. Additionally, the cough mechanism is modeled as a pulsed-spray with a prescribed log-normal droplet size distribution. Simulations demonstrate direct droplet deposition lengths in excess of three meters while the persistence of a droplet nuclei entrained within a buoyant plume is noted. Including the effect of protective barriers demonstrates effective mitigation of large-droplet transport. For coughs into a protective barrier, jet impingement and large-scale re-circulation can drive droplets vertically and back towards the subject while supporting persistence of droplet nuclei. Simulations in quiescent conditions demonstrate droplet preferential concentrations due to the coupling between vortex ring shedding and the subsequent advection of a series of three-dimensional rings that tilt and rise vertically due to a misalignment between the initial principle vortex trajectory and gravity. These resolved coughing simulations note vortex ring formation, roll-up and breakdown, while entraining droplet nuclei for large distances and time scales.

42 ENGINEERING↗

A Multi Agent-Based Framework for Simulating Household PHEV Distribution and Electric Distribution Network Impact

The variation of household attributes such as income, travel distance, age, household member, and education for different residential areas may generate different market penetration rates for plug-in hybrid electric vehicle (PHEV). Residential areas with higher PHEV ownership could increase peak electric demand locally and require utilities to upgrade the electric distribution infrastructure even though the capacity of the regional power grid is under-utilized. Estimating the future PHEV ownership distribution at the residential household level can help us understand the impact of PHEV fleet on power line congestion, transformer overload and other unforeseen problems at the local residential distribution network level. It can also help utilities manage the timing of recharging demand to maximize load factors and utilization of existing distribution resources. This paper presents a multi agent-based simulation framework for 1) modeling spatial distribution of PHEV ownership at local residential household level, 2) discovering “PHEV hot zones” where PHEV ownership may quickly increase in the near future, and 3) estimating the impacts of the increasing PHEV ownership on the local electric distribution network with different charging strategies. In this paper, we use Knox County, TN as a case study to show the simulation results of the agent-based model (ABM) framework. However, the framework can be easily applied to other local areas in the US.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modeling Assessment of Residential Air-to-Water Heat Pumps Coupled with Cooling Thermal Storage

This study explored the performance and operating cost viability of air-to-water heat pumps (AWHPs) coupled with thermal energy storage (TES) in efficient new residential construction. AWHPs are an emerging technology in this country, but offer promise in terms of high efficiency, fully contained and factory charged outdoor refrigeration system, and hydronic delivery capabilities, which facilitates zoning, ducts in conditioned space, and TES integration for summer load-shifting. Although this AWHP+TES strategy is not yet mainstream, the authors feel that in ten years as decarbonization efforts proceed and TOU rates become more common, strategies such as this will be more accessible. Validated EnergyPlus simulation models were developed based on detailed monitoring data collected over several years at Pacific Gas and Electric's CVRH laboratory test homes located in Stockton, California. One of the CVRH test homes (1,962 ft 2 two-story) had been testing various AWHP systems and configurations over the past six years. The validated model was then updated with high efficiency IECC ZERH envelope and component requirements for climate zones 1-5, including ducts in conditioned space thermal distribution. Simulations were completed for the 1,962 ft 2 home in each climate zone for a minimum efficiency ASHP, an AWHP coupled with a fan coil, and an AWHP coupled with TES sized to eliminate summer on-peak compressor operation. To maintain consistency in reporting energy use estimates, all cases were run with a similar indoor thermostat control strategy to pre-cool the house below the nominal 76 degrees Fahrenheit set point prior to the on-peak period and float slightly above the set point during the peak period. The AWHP+TES configuration was controlled to alternately condition the indoor space or to charge the TES tanks prior to the beginning of the on-peak. Three composite TOU rates were developed based on existing TOU rates across the U.S. to provide differing economic scenarios to evaluate customer bill impacts throughout the summer. Two of the TOU rates had short three-hour peak periods, while the third rate had a longer seven-hour duration peak period. AWHP modeling projections were based on the observed field performance of the Chiltrix CX34 variable speed unit. Other products on the market or entering the market in the near term would likely perform differently.

25 ENERGY STORAGE↗

Characterizing local high-frequency solar variability and its impact to distribution studies

Accurately representing the local solar variability at timescales relevant to distribution grid operations (30-seconds and shorter) is essential to modeling the impact of solar photovoltaics (PV) on distribution feeders. Due to a lack of available high-frequency solar data, some distribution grid studies have used synthetically-created PV variability or measured PV variability from a different location than their study location. In this work, we show the importance of using accurate solar PV variability inputs in distribution studies. Using high-frequency solar irradiance data from 10 locations in the United States, we compare the ramp rate distributions at the different locations, use a quantitative metric to describe the solar variability, and run distribution simulations using representative 1-week samples from each location to determine the impact of solar variability on the number of tap change operations. Results indicate up to a 300% difference in the number of tap change operations when using PV variability profiles from the different locations.

14 SOLAR ENERGY↗

Dielectric barrier structure with hollow electrodes and its recoil effect

A dielectric barrier structure with hollow electrodes (HEDBS), in which gas flow oriented parallel to the electric field, was proposed. Results showed that with this structure, air can be effectively ignited, forming atmospheric low temperature plasma, and the proposed HEDBS could achieve much higher electron density (5 × 10{sup 15}/cm{sup 3}). It was also found that the flow condition, including outlet diameter and flow rate, played a key role in the evolution of electron density. Optical emission spectroscopy diagnostic results showed that the concentration of reactive species had the same variation trend as the electron density. The simulated distribution of discharge gas flow indicated that the HEDBS had a strong recoil effect on discharge gas, and could efficiently promote generating electron density as well as reactive species.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Data transfers for full core heterogeneous reactor high- fidelity multiphysics studies

Multiphysics simulations for nuclear reactor analysis are usually performed by resorting to operator splitting and fixed point iterations between single-physics solvers. This enables the separate solution of each physics, such as neutronics, fuel performance, and thermal hydraulics, on meshes tailored to the requirements of the respective numerical discretizations of the equations. As the equations are coupled, several fields must be transferred between single-physics solves. Projecting fields between meshes while preserving order of accuracy, conservation properties, and mapping non-overlapping geometries is a complex endeavor. This conference paper will present the transfers as implemented in MOOSE, which can handle arbitrary meshes, arbitrary mappings, conservation of integral quantities, and are made to scale with distributed simulations on both ends of the transfers. Their adequacy for advanced nuclear reactor multiphysics coupling is shown through examples and numerical studies.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Numerical Propulsion System Simulation: A Common Tool for Aerospace Propulsion Being Developed

The NASA Glenn Research Center is developing an advanced multidisciplinary analysis environment for aerospace propulsion systems called the Numerical Propulsion System Simulation (NPSS). This simulation is initially being used to support aeropropulsion in the analysis and design of aircraft engines. NPSS provides increased flexibility for the user, which reduces the total development time and cost. It is currently being extended to support the Aviation Safety Program and Advanced Space Transportation. NPSS focuses on the integration of multiple disciplines such as aerodynamics, structure, and heat transfer with numerical zooming on component codes. Zooming is the coupling of analyses at various levels of detail. NPSS development includes using the Common Object Request Broker Architecture (CORBA) in the NPSS Developer's Kit to facilitate collaborative engineering. The NPSS Developer's Kit will provide the tools to develop custom components and to use the CORBA capability for zooming to higher fidelity codes, coupling to multidiscipline codes, transmitting secure data, and distributing simulations across different platforms. These powerful capabilities will extend NPSS from a zero-dimensional simulation tool to a multifidelity, multidiscipline system-level simulation tool for the full life cycle of an engine.

Follen, Gregory J.↗

Reconciling estimates of the contemporary North American carbon balance among terrestrial biosphere models, atmospheric inversions and a new approach for estimating net ecosystem exchange from inventory-based data

While fossil fuel emissions are calculated with relatively high precision, understanding the fate of those emissions with respect to sequestration in terrestrial ecosystems requires data and methods that can reduce uncertainties in the diagnosis of land-based CO2 sinks. The wide range in the land surface flux estimates is related to a number of factors, but most generally because of the different methodologies used to develop estimates of carbon stocks and flux, and the uncertainties inherent in each approach. The alternative approaches to estimating continental scale carbon fluxes that we explored here can be broadly classified as applying a top-down or bottom-up perspective. Top-down approaches calculate land-atmosphere carbon fluxes based on atmospheric budgets and inverse modeling. Bottom-up approaches rely primarily on measurements of carbon stock changes (the inventory approach) or on spatially distributed simulations of carbon stocks and/or fluxes using process-based modeling (the forward modelapproach).

Hayes, D J↗

Numerical Propulsion System Simulation

The NASA Glenn Research Center, in partnership with the aerospace industry, other government agencies, and academia, is leading the effort to develop an advanced multidisciplinary analysis environment for aerospace propulsion systems called the Numerical Propulsion System Simulation (NPSS). NPSS is a framework for performing analysis of complex systems. The initial development of NPSS focused on the analysis and design of airbreathing aircraft engines, but the resulting NPSS framework may be applied to any system, for example: aerospace, rockets, hypersonics, power and propulsion, fuel cells, ground based power, and even human system modeling. NPSS provides increased flexibility for the user, which reduces the total development time and cost. It is currently being extended to support the NASA Aeronautics Research Mission Directorate Fundamental Aeronautics Program and the Advanced Virtual Engine Test Cell (AVETeC). NPSS focuses on the integration of multiple disciplines such as aerodynamics, structure, and heat transfer with numerical zooming on component codes. Zooming is the coupling of analyses at various levels of detail. NPSS development includes capabilities to facilitate collaborative engineering. The NPSS will provide improved tools to develop custom components and to use capability for zooming to higher fidelity codes, coupling to multidiscipline codes, transmitting secure data, and distributing simulations across different platforms. These powerful capabilities extend NPSS from a zero-dimensional simulation tool to a multi-fidelity, multidiscipline system-level simulation tool for the full development life cycle.

Naiman, Cynthia↗

Chemoembolization Decreases Drop-Off Risk of Hepatocellular Carcinoma Patients on the Liver Transplant List

Introduction: The drop-off risk for patients awaiting liver transplantation for hepatocellular carcinoma (HCC) is 22%. Transplant liver availability is expected to worsen, resulting in longer waiting times and increased drop-off rates. Our aim was to determine whether chemoembolization can decrease this risk. Patients and Methods: Eighty-seven consecutive HCC patients listed for liver transplant (Milan criteria) underwent statistical comparability adjustments using the propensity score (Wilcoxon, Fisher's, and chi-square tests). Forty-three nonchemoembolization patients and 22 chemoembolization patients were comparable for Child-Pugh and Model for End-Stage Liver Disease scores, tumor size and number, alpha fetoprotein (AFP) levels, and cause of cirrhosis. We calculated the risk of dropping off the transplant list by assigning a transplant time to those who dropped off (equal probability with patients who were on the list longer than the patient in question). The significance level was obtained by calculating the simulation distribution of the difference compared with the permutations of chemoembolization versus nonchemoembolization assignment of the patients. Kaplan-Meier estimators (log-rank test) were used to determine survival rates. Results: Median follow-up was 187 {+-} 110 weeks (range 38 to 435, date of diagnosis). The chemoembolization group had an 80% drop-off risk decrease (15% nonchemoembolization versus 3% chemoembolization, p = 0.04). Although survival was better for the chemoembolization group, it did not reach statistical significance. Two-year survival for the nonchemoembolization and chemoembolization group was 57.3% {+-} 7.1% and 76.0% {+-} 7.9%, respectively (p = 0.078). Conclusions: Chemoembolization appears to result in a significant decrease in the risk of dropping off liver transplant list for patients with HCC and results in a tendency toward longer survival.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Cyber-Physical Event Emulation-Based Transmission-and-Distribution Co-Simulation for Situational Awareness of Grid Anomalies (SAGA)

Energy management of transmission and distribution networks (T&D) is becoming more challenging with the accelerated adoption of distributed energy resources (DERs)-such as distributed photovoltaic generation and battery energy storage systems (BESS)-on the electric grid. To better analyze the impacts of DERs on both transmission and distribution systems, a comprehensive T&D co-simulation platform is developed. Further, with DERs more actively participating in system operation-e.g., by providing real-time grid services-their cyber vulnerability needs to be better understood to maintain system reliability. This paper discusses a cyber-physical events emulation-based T&D co-simulation platform to perform comprehensive cyber events emulations, physical simulation, and analysis of interdependent impacts. Results from the case studies-which show how cyber events on a synthetic distribution network can impact operations on the transmission and distribution network-validate that the proposed T&D cosimulation platform can perform cyber-physical events emulation and produce response in near realtime; therefore, with extensive simulation using the proposed co-simulation platform, the system operators can accumulate adequate training data for system situational awareness of grid anomalies.

anomalies detection↗

Thermal Transport and Fracture Behavior of Sintered Fuel Pellets: Experimental Validation of NEAMS Tool MARMOT

The project targets at experimental validation of NEAMS tool MARMOT for predicting thermal transport and fuel fracture. The key components of the project include: (1) sintering UO 2 samples with well-controlled microstructures (grain size, pore, fission bubble, porosity and pore distribution either in intra- or inter-granular pores); (2) thermal conductivity measurements of these wellcharacterized polycrystalline samples; (3) indentation testing of sintered UO 2 with various grain size, porosity and stoichiometry to obtain fracture and crack propagation mechanisms (inter or intragranular fracture); and (4) validation and uncertainty quantification of the MARMOT thermal transport and fracture models. The high quality experimental data will be used to validate the predictions of MARMOT for thermal transport and fracture, using average data and local microstructure information. In this work, UO 2 fuels with controlled microstructure (grain size, pore size/structure and fuel chemistry) were successfully prepared by high energy ball milling of the hyper-stoichiometric UO 2+x powders purchased commercially, and consolidated by spark plasma sintering. Dense nano-sized UO 2 fuel pellets with controlled stoichiometry were sintered by SPS. The effects of different SPS sintering parameters on the pore size and distribution were investigated, and the correlation among the SPS parameter – microstructure control – stoichiometry/defect structure was established. To further control the pore structure and fuel chemistry, systematic thermal annealing of the sintered fuels with the controlled pore structure was performed in a reduced. The controlled microstructure and fuel chemistry enable the investigation of the separate effects of pore structure and fuel chemistry on thermal transport behavior. The mechanical properties of the sintered UO 2 fuels were tested by nanoindentation and microindentation testing at different temperatures. The fracture behavior of the sintered fuels as functions of grain structure and temperature was investigated. Nanocrystalline UO 2 display higher hardness than microcrystalline counterpart, consistent with the Hall-Petch strengthening mechanism. Greater Young’s modulus and fracture toughness are also identified for the nanocrystalline UO 2 , and hardness and Young’s modulus decrease with temperature, suggesting better ductility of oxide fuels at greater temperature at small length scale. Hyper-stoichiometric UO 2 specimen displays higher hardness and fracture toughness than stoichiometric UO 2 , due to the impediment of the crack propagation by the oxygen interstitial atoms. These results are useful in understanding the mechanical properties of the high burn-up structure (HBS) formed in nuclear fuels during reactor operation, and also provide critical experimental data as the input for the development and validation of the MARMOT fracture model of nuclear fuels. The thermal properties of the sintered UO 2 fuel pellets with controlled grain structure, fuel chemistry and pore structures are measured by laser flash and the impact of the microstructure characteristics on the thermal transport properties is elucidated. Through a close collaboration with the MARMOT team at Idaho National Laboratory, the thermal properties of the sintered oxide fuel pellets with controlled microstructures are measured experimentally, and modeled using the developed MARMOT thermal transport models for a joint effort of demonstrating high spatial resolution measurements at the microstructural level on as-fabricated nuclear fuels and materials and obtain critical experimental data for model validation and properties predictions. In this work, we also conducted sensitivity analysis and uncertainty quantification (UQ) on a mesoscale simulation that has been applied to understand the effective thermal conductivity of UO 2 reactor fuel using the MARMOT tool. We also conduced UQ on mechanistic macroscale models that have been developed to predict the effective thermal conductivity. The most sensitive parameter is the thermal conductivity of bulk UO 2 for the thermal conductivity models. In the future, the predicted simulation distributions need to be compared to experimental data for validation of the models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

JP-10 combustion studied with shock tube experiments and modeled with automatic reaction mechanism generation

Our research presents shock tube experiments and kinetic modeling efforts on the pyrolysis and combustion of JP-10. The experiments were performed at 6–8 atm using 2000 ppm of JP-10 over a temperature range of 1000–1600 K for pyrolysis and oxidation equivalence ratios from 0.14 to 1.0. This work distinguishes itself from previous studies as GC/MS was used to identify and quantify the products within the shocked samples, enabling the tracking of product yield dependence on equivalence ratio as well as identifying several new intermediates that form during JP-10’s decomposition. A detailed, comprehensive model of JP-10’s combustion and pyrolysis kinetics was constructed with the help of RMG, an open-source reaction mechanism generation software package. The resulting model, which includes 691 species reacting in 15,518 reactions, was extensively validated against the shock tube experimental dataset as well as newly published flow tube pyrolysis data from Ghent. Most of the significant rate coefficients were computed using quantum chemistry. The model succeeds in identifying all major pyrolysis and combustion products and captures key trends in the product distribution. Simulated ignition delays agree within a factor of 4 with most experimental ignition delay data gathered from literature. The proposed experimental work and modeling efforts yield new insights on JP-10’s complex decomposition and oxidation chemistry and identify key pathways towards aromatics formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗