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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Forward and adjoint sensitivity computation of chaotic dynamical systems

This paper describes a forward algorithm and an adjoint algorithm for computing sensitivity derivatives in chaotic dynamical systems, such as the Lorenz attractor. The algorithms compute the derivative of long time averaged “statistical” quantities to infinitesimal perturbations of the system parameters. The algorithms are demonstrated on the Lorenz attractor. We show that sensitivity derivatives of statistical quantities can be accurately estimated using a single, short trajectory (over a time interval of 20) on the Lorenz attractor.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Least Squares Shadowing sensitivity analysis of chaotic limit cycle oscillations

The adjoint method, among other sensitivity analysis methods, can fail in chaotic dynamical systems. The result from these methods can be too large, often by orders of magnitude, when the result is the derivative of a long time averaged quantity. This failure is known to be caused by ill-conditioned initial value problems. This paper overcomes this failure by replacing the initial value problem with the well-conditioned “least squares shadowing (LSS) problem”. The LSS problem is then linearized in our sensitivity analysis algorithm, which computes a derivative that converges to the derivative of the infinitely long time average. We demonstrate our algorithm in several dynamical systems exhibiting both periodic and chaotic oscillations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Adaptive surrogate modeling by ANOVA and sparse polynomial dimensional decomposition for global sensitivity analysis in fluid simulation

The Polynomial Dimensional Decomposition (PDD) is employed in this work for the global sensitivity analysis and uncertainty quantification (UQ) of stochastic systems subject to a moderate to large number of input random variables. Due to the intimate connection between the PDD and the Analysis of Variance (ANOVA) approaches, PDD is able to provide a simpler and more direct evaluation of the Sobol' sensitivity indices, when compared to the Polynomial Chaos expansion (PC). Unfortunately, the number of PDD terms grows exponentially with respect to the size of the input random vector, which makes the computational cost of standard methods unaffordable for real engineering applications. In order to address the problem of the curse of dimensionality, this work proposes essentially variance-based adaptive strategies aiming to build a cheap meta-model (i.e. surrogate model) by employing the sparse PDD approach with its coefficients computed by regression. Three levels of adaptivity are carried out in this paper: 1) the truncated dimensionality for ANOVA component functions, 2) the active dimension technique especially for second- and higher-order parameter interactions, and 3) the stepwise regression approach designed to retain only the most influential polynomials in the PDD expansion. During this adaptive procedure featuring stepwise regressions, the surrogate model representation keeps containing few terms, so that the cost to resolve repeatedly the linear systems of the least-squares regression problem is negligible. The size of the finally obtained sparse PDD representation is much smaller than the one of the full expansion, since only significant terms are eventually retained. Consequently, a much smaller number of calls to the deterministic model is required to compute the final PDD coefficients.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A new multi-model absolute difference-based sensitivity (MMADS) analysis method to screen non-influential processes under process model and parametric uncertainty

Process-based models have been widely used for hydrologic modeling, and it is a common practice to use sensitivity analysis methods for excluding non-influential hydrologic processes from further investigation and/or model improvement. This study develops a new method called multi-model absolute difference-based sensitivity (MMADS) analysis method to screen non-influential system processes and parameters. MMADS is conceptually similar to the Morris method for addressing parametric uncertainty, but has a unique feature to address both process model uncertainty (i.e., a process may be represented by multiple process models) and process model parameter uncertainty (i.e., parameters associated with a process model are random). MMADS first evaluates absolute differences of a quantity of interest (i.e., a system model output) by varying process models and/or process model parameter values, and then calculates the mean and variance of the differences for investigating process influence. The mean measures overall influence of the process on the quantity of interest, and the variance estimates influence of nonlinear effects of the process and/or its interactions with other processes. MMADS is an extension of the Morris method from a parameter space to a joint parameter-model space for explicitly addressing both process model uncertainty and model parameter uncertainty. The performance of MMADS is evaluated by using two numerical experiments. One experiment is based on Sobol’s G*-function with ten product elements, and has analytical solutions of the MMADS mean and variance of absolute differences. The other experiment is for groundwater flow modeling which considers three processes (i.e., recharge, geology, and snowmelt) that interact with each other. Finally, results indicate that MMADS is computationally efficient and can identify non-influential processes of complex hydrological systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Uncertainty and sensitivity analysis of fission gas behavior in engineering-scale fuel modeling

The role of uncertainties in fission gas behavior calculations as part of engineering-scale nuclear fuel modeling is investigated using the BISON fuel performance code and a recently implemented physics-based model for the coupled fission gas release and swelling. Through the integration of BISON with the DAKOTA software, a sensitivity analysis of the results to selected model parameters is carried out based on UO2 single-pellet simulations covering different power regimes. The parameters are varied within ranges representative of the relative uncertainties and consistent with the information from the open literature. The study leads to an initial quantitative assessment of the uncertainty in fission gas behavior modeling with the parameter characterization presently available. Also, the relative importance of the single parameters is evaluated. Moreover, a sensitivity analysis is carried out based on simulations of a fuel rod irradiation experiment, pointing out a significant impact of the considered uncertainties on the calculated fission gas release and cladding diametral strain. The results of the study indicate that the commonly accepted deviation between calculated and measured fission gas release by a factor of 2 approximately corresponds to the inherent modeling uncertainty at high fission gas release. Nevertheless, higher deviations may be expected for values around 10% and lower. Implications are discussed in terms of directions of research for the improved modeling of fission gas behavior for engineering purposes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Structural transformation and photoluminescence behavior during calcination of the layered europium-doped yttrium hydroxide intercalate with organic-sensitizer

Graphical abstract: Calcination of organic sensitizer intercalated layered europium-doped yttrium hydroxide displayed tunable luminescent performance dependent on calcined temperatures. The 200 °C-calcined sample revealed an optimal fluorescence behavior with respect to TA-LYH:Eu composite and the as-transformed oxide. - Highlights: • We report the calcinations process of organic/LYH:Eu nanocomposite materials. • We study structural transformation and fluorescence behavior of the calcined samples. • Calcined samples displayed tunable luminescent performance dependent on temperatures. • The optimal fluorescence was found in 200 °C-calcined sample. • This material can provide valuable guide for developing tunable luminescent materials. - Abstract: We report, for the first time, structural transformation and photoluminescence behavior by calcination of layered europium-doped yttrium hydroxide (LYH:Eu) intercalate with organic sensitizer terephthalate (TA). The calcined samples displayed tunable luminescent performance dependent on calcined temperatures. Calcination under low temperatures (200 and 300 °C) retained layered structure, while high temperatures (>400 °C) yielded oxide phase. The optimal fluorescence occurred in 200 °C-calcination, possibly resulting from an optimal arrangement of TA. Above 200 °C, the luminescence intensity was first weakened and then enhanced, due to gradual departure of TA and following occurrence of oxide phase. The energy transfer presented an intrinsic transition from TA-to-Eu{sup 3+} in the organic intercalate to O{sup 2−}-to-Eu{sup 3+} charge transfer in as-transformed oxide. The predominant luminescence property of the hybrid material can provide valuable guide for developing tunable luminescent materials, especially flexible materials resulting from the containing organic component.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Preparation, characterization and CO{sub 2} gas sensitivity of Polyaniline doped with Sodium Superoxide (NaO{sub 2})

Highlights: • NaO{sub 2} prepared in single step method from NaNO{sub 3} in oxygen rich environment. • The sensors show better performance towards the CO{sub 2}. • A significant sensitivity and fast response toward of CO{sub 2} is observed. • Sensing response assign to transition from n-type to p-type behavior of samples. - Abstract: The sodium superoxide was prepared in single step method by heating sodium nitrate (NaNO{sub 3}) in oxygen rich environment. The PANi/NaO{sub 2} composites were prepared using Ex-situ technique range from 5–20 wt.%. The crystallinity and structure morphology of the PANi/ NaO{sub 2} composite films were characterized by X-ray diffraction, Scanning electron microscopy and Fourier transform infrared spectroscopy respectively. The sensor response was estimated by the change in electrical resistance of sensor in presence of CO{sub 2} gas. The sensor response and selectivity for pure PANi and doped PANi/NaO{sub 2} sensors as a function of concentration of CO{sub 2} at room temperature has been systematically studied. The sensors show better performance towards the CO{sub 2}. A significant sensitivity and fast response toward CO{sub 2} observed for the 20 wt.% PANi/NaO{sub 2} composite film. The sensing response curve assign to transition from n-type to p-type behavior of samples.

36 MATERIALS SCIENCE↗
DOE OSTI2018

In-situ fabrication of 3D flower-like NH4NiPO4 on Ni foam without nickel salts added for high sensitive nonenzymatic glucose detection

Highlights: • The 3D-flowerlike NH{sub 4}NiPO{sub 4} grown directly on the Ni foam without nickel salts added. • The 3D-flowerlike NH{sub 4}NiPO{sub 4} assembled by sheet-like crystals (stacked by nanoflakes). • The NH{sub 4}NiPO{sub 4/}Ni foam exhibited a low detection limit of 0.015 μM. • The electrode showed high sensitivity (6135 and 2205 μA mM{sup −1} cm{sup -2}). - Abstract: The 3D flower-like NH{sub 4}NiPO{sub 4} was successfully fabricated on nickel foam via one-step hydrothermal route without nickel salts added. In our design, nickel ions were originated from the acid corrosion of nickel foam, which decreased the concentration of nickel ion in the solution and effectively control the environmental pollution. The 3D flowers-like NH{sub 4}NiPO{sub 4} was arranged on the Ni foam, and the 3D flower-like structures were assembled by sheet-like crystals with an average thickness of 380 nm. Furthermore, the sheet-like crystals are also stacked by many layers of nanoflakes. The 3D flower-like NH{sub 4}NiPO{sub 4} modified Ni foam can be used as a binder-free electrode for non-enzymatic glucose detection. And the electrode exhibits excellent electrochemical properties with high sensitivity (6135 μA mM{sup −1} Cm{sup -2} and 2205 μA mM{sup −1} Cm{sup −2}), wide linear range (covered from 0.001–1 mM and 2–5 mM) and a low detection limit of 0.015 (3S/N) at an applied bias of 0.5 V vs. Ag/AgCl.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Nitrogen-doped hollow carbon nanospheres for highly sensitive electrochemical sensing of nitrobenzene

Highlights: • NHCPs were prepared using MSM as a template and PDA as carbon and nitrogen precursor. • NHCPs-750 with high content of pyrindinic N showed good electrocatalytic performance. • A sensitive electrochemical sensor for NB was developed based on the NHCPs-750–GCE. - Abstract: Following hard template method, nitrogen–doped hollow carbon nanospheres (NHCPs) were successfully prepared by using monodisperse silica microspheres as a template and dopamine as carbon and nitrogen precursor. A series of NHCPs-x samples with different pyrolysis temperatures were reported. The composite material formation was characterized by detailed methods (e.g., X-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, scanning electron microscopy and transmission electron microscopy). Results indicated that NHCPs treated at 750 °C with highest amounts of pyrindinic N showed improved electro-catalytic activity for nitrobenzene (NB) in neutral solution. NHCPs-750 can be developed as an effective sensing platform for the detection of NB, which showed high activity and superior analytical performance, such as a wide linear range of 5–2610 μM, a high sensitivity of 436 μAmM{sup −1}, and a low limit of detection of 2.29 μM.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Low cost fabrication of highly sensitive ethanol sensor based on Pd-doped α-Fe2O3 porous nanotubes

Highlights: • Novel porous tubular nanostructures of α-Fe{sub 2}O{sub 3} are proposed. • The sensor based on 3.0 wt% Pd-doped α-Fe{sub 2}O{sub 3} porous nanotubes exhibited superior gas-sensing properties to ethanol. • The detection limit of the sensor for ethanol gas is as low as 0.1 ppm at 240 °C. • The sensor possesses an excellent reproducibility and good linearity (0.1–400 ppm) in ethanol detection. - Abstract: Pure and Pd-doped α-Fe{sub 2}O{sub 3} porous nanotubes (PNTs) are synthesized by a facile electrospinning approach. Different Pd dopant concentrations are introduced to investigate the dopant’s role in sensing performance. The structures and chemical compositions of the as-prepared products are examined using a series of characterization methods including XRD, EDS, SEM, TEM, XPS and BET. The gas-sensing properties of the sensor based on above PNTs are studied. And the results reveal that, compared with pure α-Fe{sub 2}O{sub 3}, the 3.0 wt% Pd-doped α-Fe{sub 2}O{sub 3} PNTs sensors exhibit superior performance in ethanol detection (at 240 °C). The highest sensitivity reaches 65.4 for 50 ppm ethanol and the detection limit is as low as 0.1 ppm. In addition, the sensors also show excellent selectivity, good long-term stability and as well as rapid response/recovery time (8 s/30 s, respectively) to ethanol. The improvement of sensing performance is mainly attributed to the dramatic sensitization of the additional Pd components.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Tailoring UV-blue sensitization effect in enhancing near infrared emission in X, Yb3+: CaGa2O4 (X = 0, Eu3+, Bi3+, Cr3+) phosphor for solar energy conversion

Highlights: • Intense NIR emission from Yb{sup 3+}:CaGa{sub 2}O{sub 4} phosphor, useful in Si solar cell materials. • Effect of different sensitizers (Eu{sup 3+}, Bi{sup 3+} and Cr{sup 3+} ions) on Yb{sup 3+} ion emission. • Among these, Cr{sup 3+}/ Yb{sup 3+}:CaGa{sub 2}O{sub 4} phosphor is comparatively better NIR emitter. • Study of decay curve and thermoluminescence for analizing energy transfer dynamics. • NIR persistent luminescence for nearly fifteen minutes with germanium doping. - Abstract: This work presents a strategy to modify the UV–vis part of solar spectrum into near infrared (NIR) region- an operational region for silicon solar cells. CaGa{sub 2}O{sub 4}, a wide band gap material, has been doped with Yb{sup 3+} ion and different sensitizers (Bi{sup 3+}, Eu{sup 3+} and Cr{sup 3+}) in order to probe the NIR emitting properties through downconversion (DC) process. Of these, Cr{sup 3+} ion serves the purpose of maximum conversion efficiency in a best way owing to its wide excitation spectrum spanning over the entire UV-blue region. The mechanisms involved in obtained results are supported by the decay curve measurement and energy transfer studies. Further, germainum ion is also doped to get long afterglow Yb{sup 3+} ion emission. This doping develops deep-traps that can store excitation energy and transfer it cooperatively via DC to Yb{sup 3+} for a longer time. Thus, the material is a promising spectral converter for c-Si solar cells and other photochemical processes.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Fabrication of CdSe nanoparticles sensitized TiO2 nanotube arrays via pulse electrodeposition for photoelectrochemical application

Highlights: • Anodization method approach for the synthesis of TiO{sub 2} nanotubes. • CdSe nanoparticle/TiO{sub 2} nanotube arrays were assembled via pulse electrochemical deposition technique. • Duty cycles were applied in order to enhance the properties of CdSe/TiO{sub 2} nanostructure. • PEC analysis verified that CdSe/TiO{sub 2} structure prepared at 50% duty cycle gave best photocurrent response. • Photoconversion efficiency of CdSe/TiO{sub 2} nanostructure was approximately 59 times greater than TiO{sub 2} nanotubes. - Abstract: Solar energy is an alternative sustainable energy resource that can be harvested using photoelectrochemical cell comprised of inorganic sensitized nanostructured oxide semiconductor electrode. In this work, pulse electrodeposition was used to deposit CdSe onto titanium dioxide nanotube arrays (TiO{sub 2} NTAs). TiO{sub 2} NTAs are commonly used in the nanostructured photoelectrochemical cells due to their high surface area, fewer interfacial grain boundaries and excellent charge transfer between interfaces. Duty cycle of pulse electrodeposition played an important role in the formation of CdSe nanoparticles. A significant enhancement in the photoelectrochemical performance was observed for the heterostructure of CdSe/TiO{sub 2} NTAs. CdSe/TiO{sub 2} NTAs prepared at 50% duty cycle exhibited maximum photocurrent of 1.94 mA cm{sup −2} and photoconversion efficiency of 1.18% which was 59 times higher than bare TiO{sub 2} NTAs. These results demonstrated that significant enhancement in the photoconversion efficiency could be obtained by incorporating CdSe as sensitizer into the TiO{sub 2} nanotube arrays via pulse electrodeposition technique.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Thoughts on Sensitivity Analysis and Uncertainty Propagation Methods with Respect to the Prompt Fission Neutron Spectrum Impact on Critical Assemblies

The prompt fission neutron spectrum (PFNS) uncertainties in the n+{sup 239}Pu fission reaction are used to study the impact on several fast critical assemblies modeled in the MCNP6.1 code. The newly developed sensitivity capability in MCNP6.1 is used to compute the k{sub eff} sensitivity coefficients with respect to the PFNS. In comparison, the covariance matrix given in the ENDF/B-VII.1 library is decomposed and randomly sampled realizations of the PFNS are propagated through the criticality calculation, preserving the PFNS covariance matrix. The information gathered from both approaches, including the overall k{sub eff} uncertainty, is statistically analyzed. Overall, the forward and backward approaches agree as expected. The results from a new method appear to be limited by the process used to evaluate the PFNS and is not necessarily a flaw of the method itself. Final thoughts and directions for future work are suggested.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

A 4 x 4 array module of position-sensitive virtual Frisch-grid CdZnTe detectors for gamma-ray imaging spectrometers

Arrays of position-sensitive virtual Frisch-grid CdZnTe (CZT) detectors offer an economical approach to making high efficiency and high energy resolution gamma cameras for spectroscopy and imaging of radioactive sources. There are many application areas for such instruments including gamma-rays astronomy, medical and industrial imaging, nonproliferation and nuclear safeguards. We present the test results from a 4x4 array module coupled to the front-end ASIC. The array houses 16 detectors made of 6x6x20 mm 3 CZT crystals. Each crystal is encapsulated inside an ultrathin polyester shell and furnished with four 5-mm-wide charge-sensing pads placed near the anode on each side of the detector. The pad’s signals are used to measure X-Y coordinates while the cathode signals give the interaction depths (Z coordinates). Combined together the signals provide 3D position information of the interaction points which can be used to correct the detector response non-uniformity. This allows developers to use standard grade (unselected) CZT crystals while retaining high spectroscopic performance comparable with that of the H3D pixelated detectors. The array’s design provides flexibility to replace individual detectors and extend their sizes, potentially increasing upwards of 4 cm in height. We started development of position-sensitive VFG detectors several years ago and today this technology has reached a high-maturity level and is ready to use in practical applications.

3D charge-loss correction↗
DOE OSTI2020

Performance of 8 × 8 × 32 and 10 × 10 × 32 mm 3 CdZnTe position-sensitive virtual Frisch-grid detectors for high-energy gamma ray cameras

CdZnTe (CZT) crystals with thicknesses up to 20 mm and diameters up to 75 mm have become available from Redlen Technologies, Inc. for making large-volume gamma-ray detectors. The modified growth and optimized annealing conditions allowed Redlen to minimize the dark current and improve the uniformity of CZT crystals. Two detector designs, pixelated (H3D) and position-sensitive virtual Frisch-grid (VFG), have greatly benefitted from the availability of such big crystals. Encouraging results from testing of 40×40×15 mm 3 pixelated detectors were recently reported by the University of Michigan. In this work, we evaluated the spectroscopic properties of 8×8×32 and 10×10×32 mm 3 crystals configured as position-sensitive VFG detectors. Both digitized waveforms and an analog ASIC were used to read and process the signals from the detectors and test their spectral- and spatial-resolution. The VFG design provides the flexibility to scale-up the dimensions of the detectors for the desired efficiency, while the position information allows for correcting the detectors' response non-uniformity caused by crystal defects and devices geometry, thereby reducing the instrument cost and making them more feasible for emerging applications in gamma-ray astronomy, nonproliferation, portal screening and nuclear safeguards, where large detector arrays are often required.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Using 3D position sensitivity to reveal response non-uniformities in CdZnTe, TlBr, and CsPbBr 3 detectors

Position sensitivity enables the correction of response non-uniformities in room-temperature semiconductor detectors caused by crystal defects and other factors. It can also be used to pinpoint the exact location of crystal defects responsible for the response variations. This work describes a technique for revealing and visualizing the detector regions affecting the charge collection efficiency in CdZnTe (CZT), TlBr, and CsPbBr 3 detectors configured as position-sensitive virtual Frisch-grid (VFG) devices. The technique correlates the photopeak events in energy spectra with their spatial distributions inside the detectors using the position information. By selecting the events from narrow energy intervals within a photopeak, we can visualize the detector volumes with particular charge collection efficiencies, which, in turn, correlate with the locations of electrode and crystal defects. Here, we demonstrate this technique in several examples. Columnar structures in the volume plots (position distribution maps) are consistent with signal losses near or at the anode in selected samples of CZT and TlBr. Structures exhibiting a distinct depth dependence are consistent with grain boundaries or other crystal defects.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Sensitivity analysis for characterizing the impact of HNGD model on the prediction of hydrogen redistribution in Zircaloy cladding using BISON code

Hydrogen in zirconium cladding is able to precipitate into zirconium hydrides which impacts cladding integrity. The Hydride Nucleation-Growth-Dissolution (HNGD) model in the BISON code accounts for the precipitation and dissolution kinetics of hydride in Zircaloy material. This paper presents global sensitivity analyses of the HNGD model aiming to enhance our understanding of the hydride precipitation phenomena by quantifying the variance that key parameters have on the prediction of hydrogen behavior under various environmental conditions. Here, model predictions are compared to experimental data obtained under two different conditions: 1) with uniformly precharged specimens subjected to a linear thermal gradient, and 2) specimens precharged with a cathodically applied hydride rim at one end of the sample and subjected to an asymmetric thermal gradient. The Sobol sensitivity analysis identifies the key parameters in the HNGD model for both types of specimens. For linear temperature cases, the heat of transport dominates the accuracy of predictions when no precipitation occurs at the cold end, while Terminal Solid Solubility for Dissolution (TSSD) is the most important parameter when precipitation occurs. A large variation in the predicted hydrogen concentration profiles is found in the range of high TSSD due to the occurrence of precipitation. For asymmetric temperature cases, the solubility coefficient gives the largest impact on the predicted hydrogen distribution, as it determines the amount of solute hydrogen dissolved from the initially applied hydride rim. A large discrepancy in hydrogen distribution between simulations and experiments exists with the asymmetric specimens because BISON simulations fail to predict the precipitation of hydride at the cooler end. Comparative studies using former and updated models verifies the significant impact of the hydride growth mechanism on predicted hydrogen concentration profiles. In particular, when hydride initially exists, changes in TSSD generate a large variation in the predicted amount of precipitation by hydride growth, giving large uncertainty in predicting the hydrogen distribution over the sample length. The outputs characterize the significant impact of the hydride growth mechanism in the HNGD model on predicting hydrogen behavior, and improve the understanding of the precipitation of hydride in Zircaloy cladding within a range of expected environmental conditions. The analyses indicate work is still needed to improve the hydride solvus models in the BISON code to accurately predict experimentally observed hydride concentrations and distributions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Enhancing $\phi$-sensitivity of ignition delay times through dilution of fuel-air mixture

The high $\phi$-sensitivity (η) of ignition delay time (τ IDT ) is one of the desirable fuel properties for the high-load extension of advanced compression ignition engine. Recent studies revealed the effectiveness of a high dilution rate (x D ) for enhancing η at the engine-relevant conditions. This study aims to quantify the effect of dilution on the η of isooctane using a combined experiment-simulation approach. The ignition delay of the isooctane/air mixture was measured with an Advanced Fuel Ignition Delay Analyzer (AFIDA) over the temperature range of 623 - 923 K at 10 bar pressure with global $\phi$ = 0.3 - 0.6, with and without 28.6% of additional N 2 dilution. For precise evaluation of experimental η, the facility effect of the AFIDA experiment was characterized with three-dimensional computational fluid dynamics (3-D CFD) simulation. The temperature in the combustion chamber from 3-D CFD indicated a substantial temporal dependency, varying up to ~52 K by charge-cooling of fuel injection and heat transfer from the wall. We introduced the dimensionless number θ(t) for characterizing the temporal profile of chamber temperature. Consideration of the facility effect using θ(t) resulted in better agreement between the experimental ..eta.. and zero-dimensional (0-D) kinetics simulation. The refined η were then further utilized to quantify the effectiveness of dilution to η The extent of η enhancement with dilution strategy was maximized at the low-temperature chemistry regime, increasing η by 77% with a 28.6% dilution rate. Further analysis on the dilution effect was carried out using 0-D kinetics simulation, revealing the critical dimensionless numbers relevant to the effectiveness of dilution to η enhancement. Here, this study is the first experiment-simulation combined research to quantify the effect of dilution on η, facilitating the kinetics model refinement for better reproduction of $\phi$-sensitivity.

33 ADVANCED PROPULSION SYSTEMS↗