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Deuteration removes quantum dipolar defects from KDP crystals

npj Computational Materials 2024年第1期10卷 684-693页

作者： Bingjia Yang Pinchen Xie Roberto Car Department of Chemistry Princeton UniversityPrincetonNJ 08544USA Program in Applied and Computational Mathematics Princeton UniversityPrincetonNJ 08544USA Department of Chemistry Department of PhysicsProgram in Applied and Computational MathematicsPrinceton Materials InstitutePrinceton UniversityPrincetonNJ 08544USA

Dielectric properties of the hydrogen-bonded ferroelectric crystal KH_(2)PO_(4)(KDP)differ significantly from those of KD_(2)PO_(4)(DKDP).It is well established that deuteration affects the interplay of hydrogenbond switches and heavy ion displacements that underlie the emergence of macroscopic polarization,but a detailed microscopic model is *** show that all-atompath integral molecular dynamics simulations can predict the isotope effects,revealing the microscopic mechanism that differentiates KDP and *** tunneling generates phosphate configurations that do not contribute to the *** low temperatures,these quantum dipolar defects are substantial in KDP but negligible in *** intrinsic defects explain why KDP has lower spontaneous polarization and transition entropy than *** prominent role of quantum fluctuations in KDP is related to the unusual strength of the hydrogen bonds and should be equally important in other crystals of the KDP family,which exhibit similar isotope effects.

关键词： quantum KDP remove

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Preface to the special issue dedicated to Saber Elaydi on the occasion of his 80th birthday

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Journal of Difference Equations and Applications 2024年第10期30卷 1397-1404页

作者： Cushing, Jim Michael Sasu, Adina Luminiţa Department of Mathematics Interdisciplinary Program in Applied Mathematics University of Arizona Tucson AZ United States Department of Mathematics West University of Timişoara Timişoara Romania Academy of Romanian Scientists Bucharest Romania

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Differentiable Simulator For Dynamic & Stochastic Optimal Gas & Power Flows 63

Differentiable Simulator For Dynamic & Stochastic Optimal Ga...

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63rd IEEE Conference on Decision and Control, CDC 2024

作者： Hyett, Criston Pagnier, Laurent Alisse, Jean Goldshtein, Igal Saban, Lilah Ferrando, Robert Chertkov, Michael University of Arizona Program in Applied Mathematics & Department of Mathematics TucsonAZ United States Noga the Israel Independent System Operator Haifa Israel

ISBN: (纸本)9798350316339

In many power systems, particularly those isolated from larger intercontinental grids, reliance on natural gas is crucial. This dependence becomes particularly critical during periods of volatility or scarcity in renewable energy sources, further complicated by unpredictable consumption trends. To ensure the uninterrupted operation of these isolated gas-grid systems, innovative and efficient management strategies are essential. This paper investigates the complexities of achieving synchronized, dynamic, and stochastic optimization for autonomous transmission-level gas-grid infrastructures. We introduce a novel methodology grounded in differentiable programming, which synergizes symbolic programming, a conservative numerical method for solving gas-flow partial differential equations, and automated sensitivity analysis powered by SciML/Julia. Our methodology refines the co-optimization landscape for gas-grid systems by grounding gas dynamics in physics-adherent simulation. We demonstrate efficiency and precision of the methodology by solving a stochastic optimal gas flow problem, phrased on an open source model of Israel's gas grid model. © 2024 IEEE.

关键词： Sensitivity analysis

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An Ant Colony Algorithm Approach to the Vehicle Routing Problem and Variants

An Ant Colony Algorithm Approach to the Vehicle Routing Prob...

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2024 Systems and Information Engineering Design Symposium, SIEDS 2024

作者： Tablada, Tulio Davis, Cleon Palumbo, Neil Johns Hopkins University Electrical and Computer Engineering Program Johns Hopkins University Applied and Computational Mathematics Program United States

ISBN: (纸本)9798350385144

In the basic vehicle routing problem (VRP), a vehicle must deliver goods from one centralized warehouse to multiple customers efficiently. Several VRP variants and constraints exist, including different product types, specific delivery times, multiple warehouses, vehicle fuel constraints, and pick-up from one location and delivery to another. This work proposes and demonstrates a flexible algorithm for solving the VRP via ant colony optimization (ACO) that can address many of the variants discussed above. ACO algorithms mimic the behavior of ants, learning optimal paths to a food source and back to the nest based on stigmergic behavior. This work compares a proposed, more flexible ACO algorithm to a traditional optimization algorithm that is implemented in the Google VRP solver. Readily available data were used to test and demonstrate results. Several VRP variants were implemented in both the (proposed) flexible ACO algorithm and the Google VRP solver. The flexible ACO algorithm performed better in terms of distance traveled versus the Google VRP solver for two variants and worse for three other cases. However, the Google VRP solver was not able to solve some of the VRP variant combinations considered here and failed when solving some backhaul datasets. Because the flexible ACO algorithm was able to better handle many case variations, it may be an attractive alternative optimization tool. © 2024 IEEE.

关键词： Ant colony optimization

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System-Wide Emergency Policy for Transitioning from Main to Secondary Fuel 63

System-Wide Emergency Policy for Transitioning from Main to ...

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63rd IEEE Conference on Decision and Control, CDC 2024

作者： Pagnier, Laurent Hyett, Criston Ferrando, Robert Goldshtein, Igal Alisse, Jean Saban, Lilah Chertkov, Michael University of Arizona Graduate Interdisciplinary Program in Applied Mathematics and Department of Mathematics TucsonAZ85721 United States Noga the Israel Independent System Operator Haifa Israel

ISBN: (纸本)9798350316339

Faced with the complexities of managing natural gas-dependent power system amid the surge of renewable integration and load unpredictability, this study explores strategies for navigating emergency transitions to costlier secondary fuels. Our aim is to develop decision-support tools for operators during such exigencies. We approach the problem through a Markov Decision Process (MDP) framework, accounting for multiple uncertainties. These include the potential for dual-fuel generator failures and operator response during high-pressure situations. Additionally, we consider the finite reserves of primary fuel, governed by gas-flow partial differential equations (PDEs) and constrained by nodal pressure. Other factors include the variability in power forecasts due to renewable generation and the economic impact of compulsory load shedding. For tractability, we address the MDP in a simplified context, replacing it by Markov Processes evaluated against a selection of policies and scenarios for comparison. Our study considers two models for the natural gas system: an oversimplified model tracking linepack and a more nuanced model that accounts for gas flow network heterogeneity. The efficacy of our methods is demonstrated using a realistic model replicating Israel's power-gas infrastructure. © 2024 IEEE.

关键词： Markov processes

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Fast decisions reflect biases;slow decisions do not

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Physical Review E 2024年第2期110卷 024305-024305页

作者： Samantha Linn Sean D. Lawley Bhargav R. Karamched Zachary P. Kilpatrick Krešimir Josić Department of Mathematics Institute of Molecular Biophysics Program in Neuroscience Department of Applied Mathematics Department of Biology and Biochemistry

Decisions are often made by heterogeneous groups of individuals, each with distinct initial biases and access to information of different quality. We show that in groups of independent agents who accumulate evidence the first to decide are those with the strongest initial biases. Their decisions align with their initial bias, regardless of the underlying truth. In contrast, agents who decide last make decisions as if they were initially unbiased and hence make better choices. We obtain asymptotic expressions in the large population limit quantifying how agents' initial inclinations shape early decisions. Our analysis shows how bias, information quality, and decision order interact in nontrivial ways to determine the reliability of decisions in a group.

关键词： Social networks Diffusion & random walks Extreme event statistics First passage problems Fokker–Planck equation Langevin equation Monte Carlo methods Stochastic analysis Stochastic differential equations

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PARSING NEURAL DYNAMICS WITH INFINITE RECURRENT SWITCHING LINEAR DYNAMICAL SYSTEMS 12

PARSING NEURAL DYNAMICS WITH INFINITE RECURRENT SWITCHING LI...

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12th International Conference on Learning Representations, ICLR 2024

作者： Geadah, Victor Pillow, Jonathan W. Program in Applied and Computational Mathematics Princeton University United States Princeton Neuroscience Institute Princeton University United States

Unsupervised methods for dimensionality reduction of neural activity and behavior have provided unprecedented insights into the underpinnings of neural information processing. One popular approach involves the recurrent switching linear dynamical system (rSLDS) model, which describes the latent dynamics of neural spike train data using discrete switches between a finite number of low-dimensional linear dynamical systems. However, a few properties of rSLDS model limit its deployability on trial varying data, such as a fixed number of states over trials, and no latent structure nor organization of states. Here we overcome these limitations by endowing the rSLDS model with a semi-Markov discrete state process, with latent geometry, that captures key properties of stochastic processes over partitions with flexible state cardinality. We leverage partial differential equations (PDE) theory to derive an efficient, semi-parametric formulation for dynamical sufficient statistics to the discrete states. This process, combined with switching dynamics, defines our infinite recurrent switching linear dynamical system (irSLDS) model class. We first validate and demonstrate the capabilities of our model on synthetic data. Next, we turn to the analysis of mice electrophysiological data during decision-making, and uncover strong non-stationary processes underlying both within-trial and trial-averaged neural activity. © 2024 12th International Conference on Learning Representations, ICLR 2024. All rights reserved.

关键词： Stochastic systems

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An Iterative Thresholding Method for the Minimum Compliance Problem

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Communications in Computational Physics 2023年第4期33卷 1189-1216页

作者： Luyu Cen Wei Hu Dong Wang Xiaoping Wang Department of Mathematics Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina The Program in Applied and Computational Mathematics Princeton UniversityPrincetonNew JerseyUSA School of Science and Engineering The Chinese University of Hong KongShenzhenGuangdong 518172China Shenzhen International Center for Industrial and Applied Mathematics Shenzhen Research Institute of Big DataGuangdong 518172China

In this paper,we propose a simple energy decaying iterative thresholding algorithm to solve the two-phase minimum compliance *** material domain is implicitly represented by its characteristic function,and the problem is formulated into a minimization problem by the principle of minimum complementary *** prove that the energy is decreasing in each *** effective continuation schemes are proposed to avoid trapping into the local *** results on 2D isotropic linear material demonstrate the effectiveness of the proposed methods.

关键词： Minimum compliance convolution thresholding linear elasticity

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A Certain Subclass of Analytic Functions Related to Calculus and Their Second Hankel Determinant 8th

A Certain Subclass of Analytic Functions Related to Calcul...

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8th International Arab Conference on mathematics and Computations, IACMC 2023

作者： Alsoboh, Abdullah Amourah, Ala Awad, Feras Alahmade, Ayman Gharib, Gharib Department of Mathematics Faculty of Science Philadelphia University Amman19392 Jordan Mathematics Education Program Faculty of Education and Arts Sohar University Sohar3111 Oman Applied Science Research Center Applied Science Private University Amman Jordan Department of Mathematics Faculty of Science Taibah University Medina Saudi Arabia Mathematics Department Al-Zarqa University Zarqa Jordan

ISBN: (纸本)9789819748754

In this paper, we introduce a new subclass of analytic functions defined on the symmetry domain . The subclass is characterized by a derivative operator associated with quantum calculus. We obtain estimations for the Fekete-Szegö functional problems and for the absolute values of the second and third Taylor-Maclaurin coefficients of functions belonging to this new subclass. Additionally, we derive exact upper bounds for the second Hankel functional. © The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd. 2024.

关键词： Differentiation (calculus)

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Novel Scheme for Robust Confusion Component Selection Based on Pythagorean Fuzzy Set

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Computers, Materials & Continua 2023年第3期74卷 6523-6534页

作者： Nabilah Abughazalah Mohsin Iqbal Majid Khan Iqtadar Hussain Department of Mathematical Sciences College of SciencePrincess Nourah bint Abdulrahman UniversityP.O.Box 84428Riyadh11671Saudi Arabia Department of Mathematics&Statistics Riphah International UniversityIslamabadPakistan Department of Applied Mathematics&Statistics Institute of Space TechnologyIslamabadPakistan Mathematics Program Department of MathematicsStatistics and PhysicsCollege of Arts and SciencesQatar University2713DohaQatar Statistical Consulting Unit College of Arts and ScienceQatar UniversityDohaQatar

The substitution box,often known as an S-box,is a nonlinear component that is a part of several block *** purpose is to protect cryptographic algorithms from a variety of cryptanalytic assaults.A Multi-Criteria Decision Making(MCDM)problem has a complex selection procedure because of having many options and criteria to choose *** of this,statistical methods are necessary to assess the performance score of each S-box and decide which option is the best one available based on this *** the Pythagorean Fuzzy-based Technique for Order of Preference by Similarity to Ideal Solution(TOPSIS)method,the major objective of this investigation is to select the optimal S-box to be implemented from a pool of twelve key *** the help of the Pythagorean fuzzy set(PFS),the purpose of this article is to evaluate whether this nonlinear component is suitable for use in a variety of encryption *** this article,we have considered various characteristics of S-boxes,including nonlinearity,algebraic degree,strict avalanche criterion(SAC),absolute indicator,bit independent criterion(BIC),sum of square indicator,algebraic immunity,transparency order,robustness to differential cryptanalysis,composite algebraic immunity,signal to noise ratio-differential power attack(SNR-DPA),and confusion coefficient variance on some standard S-boxes that are Advanced Encryption Following this,the findings of the investigation are changed into Pythagorean fuzzy numbers in the shape of a *** matrix is then subjected to an analysis using the TOPSIS method,which is dependent on the Pythagorean fuzzy set,to rank the most suitable S-box for use in encryption applications.

关键词： Decision making substitution box TOPSIS multi-criterion decision making fuzzy set Pythagorean fuzzy set

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