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Towards Overcoming The Curse Of Dimensionality: The Third-Order Adjoint Method For Sensitivity Analysis Of Response-Coupled Linear Forward/Adjoint Systems, Uncertainty Quantification And Predictive Modeling With Applications To Nuclear Energy Systems, Dan Gabriel Cacuci Nov 2019

Towards Overcoming The Curse Of Dimensionality: The Third-Order Adjoint Method For Sensitivity Analysis Of Response-Coupled Linear Forward/Adjoint Systems, Uncertainty Quantification And Predictive Modeling With Applications To Nuclear Energy Systems, Dan Gabriel Cacuci

Faculty Publications

This work presents the Third-Order Adjoint Sensitivity Analysis Methodology (3rd-ASAM) for response-coupled forward and adjoint linear systems. The 3rd-ASAM enables the efficient computation of the exact expressions of the 3rd-order functional derivatives (“sensitivities”) of a general system response, which depends on both the forward and adjoint state functions, with respect to all of the parameters underlying the respective forward and adjoint systems. Such responses are often encountered when representing mathematically detector responses and reaction rates in reactor physics problems. The 3rd-ASAM extends the 2nd-ASAM in the quest to overcome the “curse of dimensionality” in sensitivity analysis, uncertainty quantification and predictive …


Towards Overcoming The Curse Of Dimensionality: The Third-Order Adjoint Method For Sensitivity Analysis Of Response-Coupled Linear Forward/Adjoint Systems, With Applications To Uncertainty Quantification And Predictive Modeling, Dan Gabriel Cacuci Nov 2019

Towards Overcoming The Curse Of Dimensionality: The Third-Order Adjoint Method For Sensitivity Analysis Of Response-Coupled Linear Forward/Adjoint Systems, With Applications To Uncertainty Quantification And Predictive Modeling, Dan Gabriel Cacuci

Faculty Publications

This work presents the Third-Order Adjoint Sensitivity Analysis Methodology (3rd-ASAM) for response-coupled forward and adjoint linear systems. The 3rd-ASAM enables the efficient computation of the exact expressions of the 3rd-order functional derivatives ("sensitivities") of a general system response, which depends on both the forward and adjoint state functions, with respect to all of the parameters underlying the respective forward and adjoint systems. Such responses are often encountered when representing mathematically detector responses and reaction rates in reactor physics problems. The 3rd-ASAM extends the 2nd-ASAM in the quest to overcome the "curse of dimensionality" in sensitivity analysis, uncertainty quantification and predictive …


Comprehensive Second-Order Adjoint Sensitivity Analysis Methodology (2nd-Asam) Applied To A Subcritical Experimental Reactor Physics Benchmark: I. Effects Of Imprecisely Known Microscopic Total And Capture Cross Sections, Daniel Gabriel Cacuci, Ruixian Fang, Jeffrey A. Favorite Nov 2019

Comprehensive Second-Order Adjoint Sensitivity Analysis Methodology (2nd-Asam) Applied To A Subcritical Experimental Reactor Physics Benchmark: I. Effects Of Imprecisely Known Microscopic Total And Capture Cross Sections, Daniel Gabriel Cacuci, Ruixian Fang, Jeffrey A. Favorite

Faculty Publications

The subcritical polyethylene-reflected plutonium (PERP) metal fundamental physics benchmark, which is included in the Nuclear Energy Agency (NEA) International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook, has been selected to serve as a paradigm illustrative reactor physics system for the application of the Second-Order Adjoint Sensitivity Analysis Methodology (2nd-ASAM) that was developed by Cacuci. The 2nd-ASAM enables the exhaustive deterministic computation of the exact values of the 1st-order and 2nd-order sensitivities of a system response to the parameters underlying the respective system. The PERP benchmark is numerically modeled in this work by using the deterministic multigroup neutron transport equation discretized …


Comprehensive Second-Order Adjoint Sensitivity Analysis Methodology (2nd-Asam) Applied To A Subcritical Experimental Reactor Physics Benchmark: Ii. Effects Of Imprecisely Known Microscopic Scattering Cross Sections, Daniel Gabriel Cacuci, Ruixian Fang Oct 2019

Comprehensive Second-Order Adjoint Sensitivity Analysis Methodology (2nd-Asam) Applied To A Subcritical Experimental Reactor Physics Benchmark: Ii. Effects Of Imprecisely Known Microscopic Scattering Cross Sections, Daniel Gabriel Cacuci, Ruixian Fang

Faculty Publications

This work continues the presentation commenced in Part I of the second-order sensitivity analysis of nuclear data of a polyethylene-reflected plutonium (PERP) benchmark using the Second-Order Adjoint Sensitivity Analysis Methodology (2nd-ASAM). This work reports the results of the computations of the first- and second-order sensitivities of this benchmark's computed leakage response with respect to the benchmark's 21,600 parameters underlying the computed group-averaged isotopic scattering cross sections. The numerical results obtained for the 21,600 first-order relative sensitivities indicate that the majority of these were small, the largest having relative values of O (10(-2)). Furthermore, the vast majority of the (21600)(2) second-order …


First Principles Investigation Of Anomalous Pressure-Dependent Thermal Conductivity Of Chalcopyrites, Loay Flalfy, Denis Music, Ming Hu Oct 2019

First Principles Investigation Of Anomalous Pressure-Dependent Thermal Conductivity Of Chalcopyrites, Loay Flalfy, Denis Music, Ming Hu

Faculty Publications

The effect of compression on the thermal conductivity of CuGaS2, CuInS2, CuInTe2, and AgInTe2 chalcopyrites (space group I-42d) was studied at 300 K using phonon Boltzmann transport equation (BTE) calculations. The thermal conductivity was evaluated by solving the BTE with harmonic and third-order interatomic force constants. The thermal conductivity of CuGaS2 increases with pressure, which is a common behavior. Striking differences occur for the other three compounds. CuInTe2 and AgInTe2 exhibit a drop in the thermal conductivity upon increasing pressure, which is anomalous. AgInTe2 reaches a very low thermal conductivity of 0.2 W·m−1 ·K −1 at 2.6 GPa, being beneficial …


Ligaos Is A Fast Li-Ion Conductor: A First-Principles Prediction, Xueling Lei, Wenjun Wu, Bo Xu, Chuying Ouyang, Kevin Huang Oct 2019

Ligaos Is A Fast Li-Ion Conductor: A First-Principles Prediction, Xueling Lei, Wenjun Wu, Bo Xu, Chuying Ouyang, Kevin Huang

Faculty Publications

Solid Li-ion conducting electrolytes are highly sought for all solid-state Li-batteries, which are considered the next-generation safe batteries. Here a systematic computational study on the intrinsic transport properties of lithium gallium oxysulfide, LiGaOS (S. G. Pmc21), as a potential solid-state Li-ion electrolyte have been reported. The phonon dispersion spectrum analysis indicates that LiGaOS crystal structure is dynamically stable. The energy band structure and density of states calculations suggest that LiGaOS is an insulator with a wide indirect band gap of ∼5.44 eV. The CI-NEB calculations reveal that the “kick-off” collective migration via Li-interstitials is the dominant conduction mechanism …


Communication: First-Principles Evaluation Of Alkali Ion Adsorption And Ion Exchange In Pure Silica Lta Zeolite (Vol 149, 131102, 2018), Vancho Kocevski, Benjamin D. Zeidman, Charles H. Henager Jr., Theodore M. Besmann Aug 2019

Communication: First-Principles Evaluation Of Alkali Ion Adsorption And Ion Exchange In Pure Silica Lta Zeolite (Vol 149, 131102, 2018), Vancho Kocevski, Benjamin D. Zeidman, Charles H. Henager Jr., Theodore M. Besmann

Faculty Publications

Using first-principles calculations, we studied the adsorption of alkali ions in pure silica Linde Type A (LTA) zeolite. The probability of adsorbing alkali ions from solution and the driving force for ion exchange between Na+ and other alkali ions at the different adsorption sites were analyzed. From the calculated ion exchange isotherms, we show that it is possible to exchange Na+ with K+ and Rb+ in water, but that is not the case for systems in a vacuum. We also demonstrate that a solvation model should be used for the accurate representation of ion exchange in an LTA and that …


Transverse Vibration Of Clamped-Pinned-Free Beam With Mass At Free End, Jonathan Hong, Jacob Dodson, Simon Laflamme, Austin Downey Aug 2019

Transverse Vibration Of Clamped-Pinned-Free Beam With Mass At Free End, Jonathan Hong, Jacob Dodson, Simon Laflamme, Austin Downey

Faculty Publications

Engineering systems undergoing extreme and harsh environments can often times experience rapid damaging effects. In order to minimize loss of economic investment and human lives, structural health monitoring (SHM) of these high-rate systems is being researched. An experimental testbed has been developed to validate SHM methods in a controllable and repeatable laboratory environment. This study applies the Euler-Bernoulli beam theory to this testbed to develop analytical solutions of the system. The transverse vibration of a clamped-pinned-free beam with a point mass at the free end is discussed in detail. Results are derived for varying pin locations and mass values. Eigenvalue …


Intrinsic Coating Morphology Modulates Acute Drug Transfer In Drug-Coated Balloon Therapy, Gary H. Chang, Dara A. Azar, Chimera Lyle, Vipul C. Chitalia, Tarek Shazly, Vijaya B. Kolachalama May 2019

Intrinsic Coating Morphology Modulates Acute Drug Transfer In Drug-Coated Balloon Therapy, Gary H. Chang, Dara A. Azar, Chimera Lyle, Vipul C. Chitalia, Tarek Shazly, Vijaya B. Kolachalama

Faculty Publications

The hallmark of drug-coated balloon (DCB) therapy for the treatment of peripheral vascular disease is that it allows for reopening of the narrowed lumen and local drug delivery without the need for a permanent indwelling metal implant such as a stent. Current DCB designs rely on transferring drugs such as paclitaxel to the arterial vessel using a variety of biocompatible excipients coated on the balloons. Inherent procedural challenges, along with limited understanding of the interactions between the coating and the artery, interactions between the coating and the balloon as well as site-specific differences, have led to DCB designs with poor …


Concrete Crack Detection And Monitoring Using A Capacitive Dense Sensor Array, Jin Yan, Austin Downey, Alessandro Cancelli, Simon Laflamme, An Chen, Jian Li, Filippo Ubertini Apr 2019

Concrete Crack Detection And Monitoring Using A Capacitive Dense Sensor Array, Jin Yan, Austin Downey, Alessandro Cancelli, Simon Laflamme, An Chen, Jian Li, Filippo Ubertini

Faculty Publications

Cracks in concrete structures can be indicators of important damage and may significantly affect durability. Their timely identification can be used to ensure structural safety and guide on-time maintenance operations. Structural health monitoring solutions, such as strain gauges and fiber optics systems, have been proposed for the automatic monitoring of such cracks. However, these solutions become economically difficult to deploy when the surface under investigation is very large. This paper proposes to leverage a novel sensing skin for monitoring cracks in concrete structures. This sensing skin is constituted of a flexible electronic termed soft elastomeric capacitor, which detects a change …


Vibration-Based In-Situ Detection And Quantification Of Delamination In Composite Plates, Hanfei Mei, Asaad Migot, Mohammad Faisal Haider, Roshan Joseph, Md Yeasin Bhuiyan, Victor Giurgiutiu Apr 2019

Vibration-Based In-Situ Detection And Quantification Of Delamination In Composite Plates, Hanfei Mei, Asaad Migot, Mohammad Faisal Haider, Roshan Joseph, Md Yeasin Bhuiyan, Victor Giurgiutiu

Faculty Publications

This paper presents a new methodology for detecting and quantifying delamination in composite plates based on the high-frequency local vibration under the excitation of piezoelectric wafer active sensors. Finite-element-method-based numerical simulations and experimental measurements were performed to quantify the size, shape, and depth of the delaminations. Two composite plates with purpose-built delaminations of different sizes and depths were analyzed. In the experiments, ultrasonic C-scan was applied to visualize the simulated delaminations. In this methodology, piezoelectric wafer active sensors were used for the high-frequency excitation with a linear sine wave chirp from 1 to 500 kHz and a scanning laser Doppler …


Vibration-Based In-Situ Detection And Quantification Of Delamination In Composite Plates, Hanfei Mei, Asaad Migot, Mohammad Faisal Haider, Roshan Joseph, Md Yeasin Bhuiyan, Victor Giurgiutiu Apr 2019

Vibration-Based In-Situ Detection And Quantification Of Delamination In Composite Plates, Hanfei Mei, Asaad Migot, Mohammad Faisal Haider, Roshan Joseph, Md Yeasin Bhuiyan, Victor Giurgiutiu

Faculty Publications

This paper presents a new methodology for detecting and quantifying delamination in composite plates based on the high-frequency local vibration under the excitation of piezoelectric wafer active sensors. Finite-element-method-based numerical simulations and experimental measurements were performed to quantify the size, shape, and depth of the delaminations. Two composite plates with purpose-built delaminations of different sizes and depths were analyzed. In the experiments, ultrasonic C-scan was applied to visualize the simulated delaminations. In this methodology, piezoelectric wafer active sensors were used for the high-frequency excitation with a linear sine wave chirp from 1 to 500 kHz and a scanning laser Doppler …


Enhanced Carbon Dioxide Electrolysis At Redox Manipulated Interfaces, Wenyuan Wang, Lizhen Gan, John P. Lemmon, Fanglin Chen, John T. S. Irvine, Kui Xie Apr 2019

Enhanced Carbon Dioxide Electrolysis At Redox Manipulated Interfaces, Wenyuan Wang, Lizhen Gan, John P. Lemmon, Fanglin Chen, John T. S. Irvine, Kui Xie

Faculty Publications

Utilization of carbon dioxide from industrial waste streams offers significant reductions in global carbon dioxide emissions. Solid oxide electrolysis is a highly efficient, high temperature approach that reduces polarization losses and best utilizes process heat; however, the technology is relatively unrefined for currently carbon dioxide electrolysis. In most electrochemical systems, the interface between active components are usually of great importance in determining the performance and lifetime of any energy materials application. Here we report a generic approach of interface engineering to achieve active interfaces at nanoscale by a synergistic control of materials functions and interface architectures. We show that the …


Electrochemical Conversion Of Methane To Ethylene In A Solid Oxide Electrolyer, Changli Zhu, Shisheng Hou, Xiuli Hu, Jinhai Lu, Fanglin Chen, Kui Xie Mar 2019

Electrochemical Conversion Of Methane To Ethylene In A Solid Oxide Electrolyer, Changli Zhu, Shisheng Hou, Xiuli Hu, Jinhai Lu, Fanglin Chen, Kui Xie

Faculty Publications

Conversion of methane to ethylene with high yield remains a fundamental challenge due to the low ethylene selectivity, severe carbon deposition and instability of catalysts. Here we demonstrate a conceptually different process of in situ electrochemical oxidation of methane to ethylene in a solid oxide electrolyzer under ambient pressure at 850 °C. The porous electrode scaffold with an in situ-grown metal/oxide interface enhances coking resistance and catalyst stability at high temperatures. The highest C2 product selectivity of 81.2% together with the highest C2 product concentration of 16.7% in output gas (12.1% ethylene and 4.6% ethane) is achieved while the methane …


Controlling The Oxygen Electrocatalysis On Perovskite And Layered Oxide Thin Films For Solid Oxide Fuel Cell Cathodes, Gene Yang, Wonsang Jung, Sung-Jin Ahn, Dongkyu Lee Mar 2019

Controlling The Oxygen Electrocatalysis On Perovskite And Layered Oxide Thin Films For Solid Oxide Fuel Cell Cathodes, Gene Yang, Wonsang Jung, Sung-Jin Ahn, Dongkyu Lee

Faculty Publications

Achieving the fast oxygen reduction reaction (ORR) kinetics at the cathode of solid oxide fuel cells (SOFCs) is indispensable to enhance the efficiency of SOFCs at intermediate temperatures. Mixed ionic and electronic conducting (MIEC) oxides such as ABO3 perovskites and Ruddlesden-Popper (RP) oxides (A2BO4) have been widely used as promising cathode materials owing to their attractive physicochemical properties. In particular, oxides in forms of thin films and heterostructures have enabled significant enhancement in the ORR activity. Therefore, we aim to give a comprehensive overview on the recent development of thin film cathodes of SOFCs. We …


High-Throughput 3d Reconstruction Of Stochastic Heterogeneous Microstructures In Energy Storage Materials, Yanxiang Zhang, Mufu Yan, Yanhong Wan, Zhenjun Jiao, Yu Chen, Fanglin Chen, Changrong Xia, Meng Ni Jan 2019

High-Throughput 3d Reconstruction Of Stochastic Heterogeneous Microstructures In Energy Storage Materials, Yanxiang Zhang, Mufu Yan, Yanhong Wan, Zhenjun Jiao, Yu Chen, Fanglin Chen, Changrong Xia, Meng Ni

Faculty Publications

Stochastic heterogeneous microstructures are widely applied in structural and functional materials, playing a crucial role in determining their performance. X-ray tomography and focused ion beam serial sectioning are frequently used methods to reconstruct three-dimensional (3D) microstructures, yet are demanding techniques and are resolution-limited. Here, a high-throughput multi-stage 3D reconstruction method via distance correlation functions is developed using a single representatively large-sized 2D micrograph for stochastic microstructures, and verified by X-ray micro-tomography datasets of isotropic and anisotropic solid oxide fuel cell electrodes. This method provides an economic, easy-to-use and high-throughput approach for reconstructing stochastic heterogeneous microstructures for energy conversion and storage …


Use Of Flexible Sensor To Characterize Biomechanics Of Canine Skin, Austin Downey, Jin Yan, Eric M. Zellner, Karl H. Kraus, Iris V. Rivero, Simon Laflamme Jan 2019

Use Of Flexible Sensor To Characterize Biomechanics Of Canine Skin, Austin Downey, Jin Yan, Eric M. Zellner, Karl H. Kraus, Iris V. Rivero, Simon Laflamme

Faculty Publications

Background Suture materials and techniques are frequently evaluated in ex vivo studies by comparing tensile strengths. However, the direct measurement techniques to obtain the tensile forces in canine skin are not available, and, therefore, the conditions suture lines undergo is unknown. A soft elastomeric capacitor is used to monitor deformation in the skin over time by sensing strain. This sensor was applied to a sample of canine skin to evaluate its capacity to sense strain in the sample while loaded in a dynamic material testing machine. The measured strain of the sensor was compared with the strain measured by the …


Recent Advances In Piezoelectric Wafer Active Sensors For Structural Health Monitoring Applications, Hanfei Mei, Mohammad Faisal Haider, Roshan Prakash Joseph, Asaad Migot, Victor Giurgiutiu Jan 2019

Recent Advances In Piezoelectric Wafer Active Sensors For Structural Health Monitoring Applications, Hanfei Mei, Mohammad Faisal Haider, Roshan Prakash Joseph, Asaad Migot, Victor Giurgiutiu

Faculty Publications

In this paper, some recent piezoelectric wafer active sensors (PWAS) progress achieved in our laboratory for active materials and smart structures (LAMSS) at the University of South Carolina: http: //www.me.sc.edu/research/lamss/ group is presented. First, the characterization of the PWAS materials shows that no significant change in the microstructure after exposure to high temperature and nuclear radiation, and the PWAS transducer can be used in harsh environments for structural health monitoring (SHM) applications. Next, PWAS active sensing of various damage types in aluminum and composite structures are explored. PWAS transducers can successfully detect the simulated crack and corrosion damage in aluminum …


Recent Advances In Piezoelectric Wafer Active Sensors For Structural Health Monitoring Applications, Hanfei Mei, Mohammad Faisal Haider, Roshan Joseph, Asaad Migot, Victor Giurgiutiu Jan 2019

Recent Advances In Piezoelectric Wafer Active Sensors For Structural Health Monitoring Applications, Hanfei Mei, Mohammad Faisal Haider, Roshan Joseph, Asaad Migot, Victor Giurgiutiu

Faculty Publications

In this paper, some recent piezoelectric wafer active sensors (PWAS) progress achieved in our laboratory for active materials and smart structures (LAMSS) at the University of South Carolina: http: //www.me.sc.edu/research/lamss/ group is presented. First, the characterization of the PWAS materials shows that no significant change in the microstructure after exposure to high temperature and nuclear radiation, and the PWAS transducer can be used in harsh environments for structural health monitoring (SHM) applications. Next, PWAS active sensing of various damage types in aluminum and composite structures are explored. PWAS transducers can successfully detect the simulated crack and corrosion damage in aluminum …


Propagating, Evanescent, And Complex Wavenumber Guided Waves In High-Performance Composites, Victor Giurgiutiu, Mohammad Faisal Haider Jan 2019

Propagating, Evanescent, And Complex Wavenumber Guided Waves In High-Performance Composites, Victor Giurgiutiu, Mohammad Faisal Haider

Faculty Publications

The study of propagating, evanescent and complex wavenumbers of guided waves (GWs) in high-performance composites using a stable and robust semi-analytical finite element (SAFE) method is presented. To facilitate understanding of the wavenumber trajectories, an incremental material change study is performed moving gradually from isotropic aluminum alloy to carbon fiber reinforced polymer (CFRP) composites. The SAFE results for an isotropic aluminum alloy plate are compared with the exact analytical solutions, which shows that N = 20 SAFE elements across the thickness provides


Propagating, Evanescent, And Complex Wavenumber Guided Waves In High-Performance Composites, Victor Giurgiutiu, Mohammad Faisal Haider Jan 2019

Propagating, Evanescent, And Complex Wavenumber Guided Waves In High-Performance Composites, Victor Giurgiutiu, Mohammad Faisal Haider

Faculty Publications

The study of propagating, evanescent and complex wavenumbers of guided waves (GWs) in high-performance composites using a stable and robust semi-analytical finite element (SAFE) method is presented. To facilitate understanding of the wavenumber trajectories, an incremental material change study is performed moving gradually from isotropic aluminum alloy to carbon fiber reinforced polymer (CFRP) composites. The SAFE results for an isotropic aluminum alloy plate are compared with the exact analytical solutions, which shows that N = 20 SAFE elements across the thickness provides <0.5% error in the highest evanescent wavenumber for the given frequency-wavenumber range. The material change study reveals that reducing the transverse and shear moduli moves the wavenumber solution towards one similar to composite material. The comparison of the propagating, evanescent and complex wavenumber trajectories between composites and aluminum alloy show that antisymmetric imaginary Lamb wave modes always exist in composites although they may not exist in isotropic aluminum alloy at some frequencies. The wavenumber trajectories for a unidirectional CFRP plate show that the range of real wavenumber is much smaller than in the isotropic aluminum alloy. For laminated CFRP composite plates (e.g., unidirectional, off-axis, transverse, cross-ply and quasi-isotropic laminates), the quasi Lamb wave and shear horizontal (SH) wave trajectories are also identified and discussed. The imaginary SH wave trajectories in laminated composites are distorted due to the presence of ±45 plies. The convergence study of the SAFE method in various CFRP laminates indicates that sufficient accuracy can always be achieved by increasing the number of SAFE elements. Future work will address the stress-continuity between composite layers.