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Variance-Based Global Sensitivity Analysis via Sparse-Grid Interpolation and Cubature

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Communications in Computational Physics 2011年第3期9卷 542-567页

作者： Gregery T.Buzzard Dongbin Xiu Department of Mathematics Purdue UniversityWest LafayetteIN 47907USA

The stochastic collocation method using sparse grids has become a popular choice for performing stochastic computations in high dimensional(random)parameter *** addition to providing highly accurate stochastic solutions,the sparse grid collocation results naturally contain sensitivity information with respect to the input random *** this paper,we use the sparse grid interpolation and cubature methods of Smolyak together with combinatorial analysis to give a computationally efficient method for computing the global sensitivity values of Sobol’.This method allows for approximation of all main effect and total effect values from evaluation of f on a single set of sparse *** discuss convergence of this method,apply it to several test cases and compare to existing *** a result which may be of independent interest,we recover an explicit formula for evaluating a Lagrange basis interpolating polynomial associated with the Chebyshev *** allows one to manipulate the sparse grid collocation results in a highly efficient manner.

关键词： Stochastic collocation sparse grids sensitivity analysis Smolyak Sobol’

Current technologies to identify protein kinase substrates in high throughput

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Frontiers in Biology 2013年第2期8卷 216-227页

作者： Liang XUE W. Andy TAO Department of Biochemistry Purdue University West Lafayette IN 47907 USA Department of Medicinal Chemistry & Molecular Pharmacology Purdue University West Lafayette IN 47907 USA Department of Chemistry Purdue University West Lafayette IN 47907 USA Purdue University Center for Cancer Research Purdue University West Lafayette IN 47907 USA

Since the discovery of protein phosphorylation as an important modulator of many cellular processes, the involvement of protein kinases in diseases, such as cancer, diabetes, cardiovascular diseases, and central nervous system pathologies, has been extensively documented. Our understanding of many disease pathologies at the molecular level, therefore, requires the comprehensive identification of substrates targeted by protein kinases. In this review, we focus on recent techniques for kinase substrate identification in high throughput, in particular on genetic and proteomic approaches. Each method with its inherent advantages and limitations is discussed.

关键词： phosphorylation kinase substrate in vitro kinase assay high throughput screening mass spectrometry,phosphoproteomics

Novel vertically aligned nanocomposite of Bi_(2)WO_(6)-Co_(3)O_(4) with room-temperature multiferroic and anisotropic optical response

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Nano Research 2021年第12期14卷 4789-4794页

作者： Leigang Li Shikhar Misra Xingyao Gao Juncheng Liu Han Wang Jijie Huang Bruce Zhang Ping Lu Haiyan Wang School of Materials Engineering Purdue UniversityWest LafayetteIndiana47907USA School of Electrical and Computer Engineering Purdue UniversityWest LafayetteIndiana47907USA Sandia National Laboratory AlbuquerqueNew Mexico87185USA

A new vertically aligned nanocomposite(VAN)structure based on two-dimensional(2D)layered oxides has been designed and self-assembled on both LaAlO_(3)(001)and SrTiO3(001)*** new VAN structure consists of epitaxially grown Co_(3)O_(4) nanopillars embedded in the Bi_(2)WO_(6) matrix with a unique 2D layered structure,as evidenced by the microstructural *** property measurements show that the new Bi_(2)WO_(6)-Co_(3)O_(4) VAN structure exhibits strong ferromagnetic and piezoelectric response at room temperature as well as anisotropic permittivity *** work demonstrates a new approach in processing multifunctional VANs structure based on the layered oxide systems towards future nonlinear optics,ferromagnets,and multiferroics.

关键词： vertically aligned nanocomposite(VAN) multiferroics Aurivillius oxides layered oxides Co_(3)O_(4) Bi_(2)WO_(6)

An Approximation of the Customer Waiting Time for Online Restaurants Owning Delivery System

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Journal of Systems Science & Complexity 2019年第3期32卷 907-931页

作者： ZHANG Tianhua ZHAO Fu ZHANG Juliang MENDIS Gamini RU Yihong SUTHERLADN John W School of Economics and Management Beijing Jiaotong University Beijing 100010 China School of Mechanical Engineering Purdue University West Lafayette IN 47907-2088 USA Division of Environmental and Ecological Engineering Purdue University West Lafayette IN 47907-2088 USA

Online restaurants, which receive online orders and deliver food directly to the customer’s residence, are becoming increasingly popular. To be successful, online restaurants need to provide reliable and prompt deliveries. Careful design of the meal preparation and order delivery systems is needed to avoid excessive cust omer waiting time bet ween ordering and delivery. This paper considers the meal preparation and delivery processes simultaneously to approximate average customer waiting time for deliveries. The authors first discuss the system performance with one cook and unit-capacity delivery vehicles, using an M/G/1queue and a GI/G/1queue. Numerical experiments show that our approximation can adequately describe real waiting times. Then, series queues with multiple cooks and multi-capacity delivery vehicles, e.g., an M/G/n queue and a GI/Gn/1 queue, are examined. Results show that except for situations with a large meal preparation time and a small vehicle capacity, compared with the result of simulation, the approximation in this paper is acceptable with a deviation of less than 20%. The marginal decrease in waiting time associated with hiring more vehicles is *** under different meal preparation speeds, sizes of service area and vehicle capacities.

关键词： Delivery electronic commerce last mile problem online restaurant queuing theory

Unexpected thermal conductivity enhancement in aperiodic superlattices discovered using active machine learning

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npj Computational Materials 2022年第1期8卷 99-105页

作者： Prabudhya Roy Chowdhury Xiulin Ruan School of Mechanical Engineering and the Birck Nanotechnology Center Purdue UniversityWest LafayetteIN47907-2088USA

While machine learning(ML)has shown increasing effectiveness in optimizing materials properties under known physics,its application in discovering new physics remains challenging due to its interpolative *** this work,we demonstrate a general-purpose adaptive ML-accelerated search process that can discover unexpected lattice thermal conductivity(κ_(l))enhancement in aperiodic superlattices(SLs)as compared to periodic superlattices,with implications for thermal management of multilayer-based electronic *** use molecular dynamics simulations for high-fidelity calculations ofκ_(l),along with a convolutional neural network(CNN)which can rapidly predictκ_(l)for a large number of *** ensure accurate prediction for the target unknown SLs,we iteratively identify aperiodic SLs with structural features leading to locally enhanced thermal transport and include them as additional training data for the *** identified structures exhibit increased coherent phonon transport owing to the presence of closely spaced interfaces.

关键词： thermal conductivity transport

Analogue Black Holes in Reactive Molecules

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Chinese Physics Letters 2023年第5期40卷 1-5页

作者： Ren Zhang Chenwei Lv Qi Zhou School of Physics Xi’an Jiaotong UniversityXi’an 710049China Department of Physics and Astronomy Purdue UniversityWest LafayetteIN47907USA Purdue Quantum Science and Engineering Institute Purdue UniversityWest LafayetteIN47907USA

We show that reactive molecules with a unit probability of reaction naturally provide a simulator of some intriguing black hole *** unit reaction at the short distance acts as an event horizon and delivers a one-way traffic for matter waves passing through the potential barrier when two molecules interact by high partialwave scatterings or dipole-dipole *** particular,the scattering rate as a function of the incident energy exhibits a thermal-like distribution near the maximum of the interaction energy in the same manner as a scalar field scatters with the potential barrier outside the event horizon of a black *** a thermal-like scattering can be extracted from the temperature-dependent two-body loss rate measured in experiments on KRb and other molecules.

关键词： horizon outside passing

Efficient Energy Stable Schemes with Spectral Discretization in Space for Anisotropic Cahn-Hilliard Systems

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Communications in Computational Physics 2013年第5期13卷 1189-1208页

作者： Feng Chen Jie Shen Department of Mathematics Purdue UniversityWest LafayetteIN 47907-1957USA

We develop in this paper efficient and robust numerical methods for solving anisotropic Cahn-Hilliard *** construct energy stable schemes for the time discretization of the highly nonlinear anisotropic Cahn-Hilliard systems by using a stabilization *** each time step,these schemes lead to a sequence of linear coupled elliptic equations with constant coefficients that can be efficiently solved by using a spectral-Galerkin *** present numerical results that are consistent with earlier work on this topic,and also carry out various simulations,such as the linear bi-Laplacian regularization and the nonlinear Willmore regularization,to demonstrate the efficiency and robustness of the new schemes.

关键词： Spectral-Galerkin phase-field anisotropic Cahn-Hilliard stabilization coupled elliptic equations

Analysis of Capacity Decay, Impedance, and Heat Generation of Lithium-ionBatteries Experiencing Multiple Simultaneous Abuse Conditions

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Energy Engineering 2023年第12期120卷 2721-2740页

作者： Casey Jones Meghana Sudarshan Vikas Tomar School of Aeronautics and Astronautics Purdue UniversityWest Lafayette47907USA

Abuse of Lithium-ion batteries,both physical and electrochemical,can lead to significantly reduced operational *** some instances,abuse can cause catastrophic failure,including thermal runaway,combustion,and *** different test standards that include abuse conditions have been developed,but these generally consider only one condition at a time and only provide go/no-go *** this work,different types of cell abuse are implemented concurrently to determine the extent to which simultaneous abuse conditions aggravate cell degradation and *** loading is chosen to be the consistent type of physical abuse,and the first group of cells is cycled at different vibrational *** next group of cells is cycled at the same frequencies,with multiple charge pulses occurring during each *** final group of cells is cycled at the same frequencies,with a partial nail puncture occurring near the beginning of *** results show that abusing cells with vibrational loading or vibrational loading with current pulses does not cause a significant decrease in operational capabilities while abusing cells with vibrational loading and a nail puncture drastically reduces operational *** cells with vibration only experience an increase in internal resistance by a factor of 1.09–1.26,the cells with vibration and current pulses experience an increase in internal resistance by a factor of 1.16–1.23,and all cells from each group reach their rated lifetime of 500 cycles without reaching their end-of-life ***,the cells with vibration and nail puncture experience an increase in internal resistance by a factor of 6.83–22.1,and each cell reaches its end-of-life capacity within 50 ***,the results show that testing multiple abuse conditions simultaneously provides a better representation of the extreme limitations of cell operation and should be considered for inclusion in reference test standards.

关键词： Lithium-ion batteries dynamic abuse testing electrochemical impedance spectroscopy incremental capacity analysis thermal profile analysis

Denoising and fuel spray droplet detection from light-scattered images using deep learning

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Energy and AI 2022年第1期7卷 91-100页

作者： Veeraraghava Raju Hasti Dongyun Shin School of Mechanical Engineering Purdue UniversityWest LafayetteIN47907 United States of America School of Aeronautics and Astronautics Purdue UniversityWest LafayetteIN47907 United States of America

A deep learning-based method for denoising and detecting the gas turbine engine spray droplets in the lightscattered image(Mie scattering)is proposed for the first time.A modified U-Net architecture is employed in the proposed method to denoise and regenerate the *** have compared and validated the performance of the modified U-Net architecture with standard conventional neural networks(CNN)and modified ResNet architectures for denoising spray images from the Mie scattering *** modified U-Net architecture performed better than the other two networks with significantly lower Mean Squared Error(MSE)on the validation *** modified U-Net architecture also produced images with the highest Power Signal to Noise Ratio(PSNR)compared to the other two *** superior performance of the modified U-Net architecture is attributed to the encoder-decoder *** downsampling,as part of the encoder,only the most prominent features of the image are selectively retained by excluding any *** reconstruction of the noisefree features has produced a more accurate and better denoised *** denoised images are then passed through a center predictor CNN to determine the location of the droplets with an average error of 1.4 *** trained deep learning method for denoising and droplet center detection takes about 2.13 s on a single graphics processing unit(GPU).This study shows the promise for real-time processing of the experimental data using the well-optimized network.

关键词： Image denoising Droplet detection Fuel spray Mie scattering Deep learning Artificial intelligence Convolutional Neural Networks ResNet U-Net