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Design and Characterization of Low-Carbon Supersulfated Cement Prepared Using As-Received Electrolysis Manganese Dioxide Residue

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SSRN

SSRN 2023年

作者： Ma, Wenbo Bai, Tianwen Zhu, Wei Guo, Shuaicheng School of Mechanical Engineering and Mechanics Xiangtan University Xiangtan411105 China College of Civil Engineering Xiangtan University Xiangtan411105 China Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University Xiangtan411105 China Key Laboratory of Building Safety and Energy Efficiency of the Ministry of Education Hunan University Changsha410082 China International Science Innovation Collaboration Base for Green & Advanced Civil Engineering Materials of Hunan Province Hunan University Changsha410082 China Key Laboratory for Green & Advanced Civil Engineering Materials and Application Technology of Hunan Province College of Civil Engineering Hunan University Changsha410082 China

Utilizing electrolysis manganese dioxide residue (EMDR) to prepare the supersulfated cement can achieve effective waste recycling, and its application can reduce the carbon emission caused by Portland cement. This study aims to quantitatively build the correlation between the mechanical performance and cementitious matrix composition of EMDR-based supersulfated cement. The supersulfated cement containing clinker, slag and as received EMDR is designed and prepared based on the simplex centroid design method. The compressive strength, tensile strength and flexural strength of the EMDR based supersulfated cement paste were measured at 3-day, 7-day and 28-day ages. The compressive strength of the electrolysis manganese dioxide residue (EMDR) based supersulfated cement first increases and then decreases with the mass ratio between slag and EMDR. The added cement clinker can increase the compressive strength at 3-day and 7-day ages, but the 28-day age strength first decrease and then increase with the cement clinker content. Meanwhile, the flexural and tensile performances of the EMDR based supersulfated cement generally increase with the clinker content. The measured elastic modulus results indicated the added clinker could enhance the stiffness of the stiffness development. Then the strength development mechanisms of EMDR-based supersulfated cement are analyzed based on phase and microstructure characterization. It is found the clinker can accelerate the reaction rate between the slag and EMDR, and the consumption rate of the gypsum contained in EMDR. The calcium silicate hydrate (CSH) gel phase's contribution to tensile strength is more significant than that of ettringite phase. Based on the mechanism analysis, the index of [SO3]/[Al2O3] molar ratio is proposed for the matrix design of EMDR based SSC. This study can support the design and application of EMDR-based supersulfated cement. © 2023, The Authors. All rights reserved.

关键词： Aluminum oxide

Quantum simulation of the Fokker-Planck equation via Schrödingerization

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arXiv 2024年

作者： Jin, Shi Liu, Nana Yu, Yue School of Mathematical Sciences Institute of Natural Sciences MOE-LSC Shanghai Jiao Tong University Shanghai200240 China University of Michigan Shanghai Jiao Tong University Joint Institute Shanghai200240 China School of Mathematics and Computational Science Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education Xiangtan University Hunan Xiangtan411105 China

This paper studies a quantum simulation technique for solving the Fokker-Planck equation. Traditional semi-discretization methods often fail to preserve the underlying Hamiltonian dynamics and may even modify the Hamiltonian structure, particularly when incorporating boundary conditions. We address this challenge by employing the Schrödingerization method - it converts any linear partial and ordinary differential equation with non-Hermitian dynamics into systems of Schrödinger-type equations. It does so via the so-called warped phase transformation that maps the equation into one higher dimension. We explore the application in two distinct forms of the Fokker-Planck equation. For the conservation form, we show that the semi-discretization-based Schrödingerization is preferable, especially when dealing with non-periodic boundary conditions. Additionally, we analyze the Schrödingerization approach for unstable systems that possess positive eigenvalues in the real part of the coefficient matrix or differential operator. Our analysis reveals that the direct use of Schrödingerization has the same effect as a stabilization procedure. For the heat equation form, we propose a quantum simulation procedure based on the time-splitting technique, and give explicitly its corresponding quantum circuit. We discuss the relationship between operator splitting in the Schrödingerization method and its application directly to the original problem, illustrating how the Schrödingerization method accurately reproduces the time-splitting solutions at each step. Furthermore, we explore finite difference discretizations of the heat equation form using shift operators. Utilizing Fourier bases, we diagonalize the shift operators, enabling efficient simulation in the frequency space. Providing additional guidance on implementing the diagonal unitary operators, we conduct a comparative analysis between diagonalizations in the Bell and the Fourier bases, and show that the former generally exhibit

关键词： Hamiltonians

Quantum Circuits for the Heat Equation with Physical Boundary Conditions Via Schrödingerisation

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SSRN

SSRN 2024年

This paper explores the explicit design of quantum circuits for quantum simulation of partial differential equations (PDEs) with physical boundary conditions. These equations and/or their discretized forms usually do not evolve via unitary dynamics, thus are not suitable for quantum simulation. Boundary conditions (either time-dependent or independent) make the problem more difficult. To tackle this challenge, the Schrödingerisation method can be employed, which converts linear partial and ordinary differential equations with non-unitary dynamics into systems of Schrödinger-type equations, via the so-called warped phase transformation that maps the equation into one higher dimension. Despite advancements in Schrödingerisation techniques, the explicit implementation of quantum circuits for solving general PDEs, especially with physical boundary conditions, remains underdeveloped. We present two methods for handling the inhomogeneous terms arising from time-dependent physical boundary conditions. One approach utilizes Duhamel's principle to express the solution in integral form and employs linear combination of unitaries (LCU) for coherent state preparation. Another method applies an augmentation to transform the inhomogeneous problem into a homogeneous one. We then apply the quantum simulation technique from [CJL23] to transform the resulting non-autonomous system to an autonomous system in one higher dimension. We provide detailed implementations of these two methods and conduct a comprehensive complexity analysis in terms of queries to the time evolution input oracle. © 2024, The Authors. All rights reserved.

关键词： Boundary conditions

Quantum Circuits for the heat equation with physical boundary conditions via Schrödingerisation

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arXiv 2024年

This paper explores the explicit design of quantum circuits for quantum simulation of partial differential equations (PDEs) with physical boundary conditions. These equations and/or their discretized forms usually do not evolve via unitary dynamics, thus are not suitable for quantum simulation. Boundary conditions (either time-dependent or independent) make the problem more difficult. To tackle this challenge, the Schrödingerisation method can be employed, which converts linear partial and ordinary differential equations with non-unitary dynamics into systems of Schrödinger-type equations, via the so-called warped phase transformation that maps the equation into one higher dimension. Despite advancements in Schrödingerisation techniques, the explicit implementation of quantum circuits for solving general PDEs, especially with physical boundary conditions, remains underdeveloped. We present two methods for handling the inhomogeneous terms arising from time-dependent physical boundary conditions. One approach utilizes Duhamel’s principle to express the solution in integral form and employs linear combination of unitaries (LCU) for coherent state preparation. Another method applies an augmentation to transform the inhomogeneous problem into a homogeneous one. We then apply the quantum simulation technique from [CJL23] to transform the resulting non-autonomous system to an autonomous system in one higher dimension. We provide detailed implementations of these two methods and conduct a comprehensive complexity analysis in terms of queries to the time evolution input oracle. © 2024, CC BY-NC-ND.

关键词： Ordinary differential equations

A SECOND-ORDER DYNAMICAL LOW-RANK MASS-LUMPED FINITE ELEMENT METHOD FOR THE ALLEN-CAHN EQUATION

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arXiv 2025年

作者： Yang, Jun Yi, Nianyu Yin, Peimeng School of Mathematics and Computational Science Xiangtan University Xiangtan411105 China Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Xiangtan411105 China Department of Mathematical Sciences The University of Texas at El Paso El PasoTX79968 United States

In this paper, we propose a novel second-order dynamical low-rank mass-lumped finite element method for solving the Allen-Cahn (AC) equation, a semilinear parabolic partial differential equation. The matrix differential equation of the semi-discrete mass-lumped finite element scheme is decomposed into linear and nonlinear components using the second-order Strang splitting method. The linear component is solved analytically within a low-rank manifold, while the nonlinear component is discretized using a second-order augmented basis update & Galerkin (BUG) integrator, in which the S-step matrix equation is solved by the explicit 2-stage strong stability-preserving Runge-Kutta method. The algorithm has lower computational complexity than the full-rank mass-lump finite element method. The dynamical low-rank finite element solution is shown to conserve mass up to a truncation tolerance for the conservative Allen-Cahn equation. Meanwhile, the modified energy is dissipative up to a high-order error and is hence stable. Numerical experiments validate the theoretical results. Symmetry-preserving tests highlight the robustness of the proposed method for long-time simulations and demonstrate its superior performance compared to existing *** Codes 35K58, 65F55, 65M60, 65Y20 © 2025, CC BY-NC-ND.

关键词： Runge Kutta methods

Amplitude Expansion Phase Field Crystal (APFC) Modeling based Efficient Dislocation simulations using Fourier Pseudospectral Method

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arXiv 2024年

作者： Wei, Xinyi Wang, Yangshuai Jiang, Kai Zhang, Lei School of Mathematical Sciences Institute of Natural Sciences and MOE-LSC Shanghai Jiao Tong University Shanghai200240 China Department of Mathematics Faculty of Science National University of Singapore 10 Lower Kent Ridge Road Singapore Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

Crystalline defects play a critical role in determining the properties of crystalline solids, underscoring the need for accurate computational methods to study them. Lattice deformation in dislocation simulations, which involves changes in atomic positions, can be described either microscopically by specific atomic configurations or macroscopically by continuum elasticity, each with inherent limitations. The complex amplitude expansion of the phase field crystal (APFC) model provides a mesoscopic approach that bridges these scales. In this paper, we introduce a Fourier pseudospectral method for efficiently solving the APFC model in the context of crystalline defect simulations. This study marks the first application of the Fourier pseudospectral method to the APFC model. The method fully exploits the system’s periodicity and facilitates the implementation of periodic boundary conditions, thanks to its high accuracy and computational efficiency. Numerical experiments conducted on two-dimensional triangular lattices and three-dimensional body-centered cubic lattices for edge dislocation geometry optimization have produced strain field images that align well with by continuum elasticity predictions. The findings demonstrate the potential of the APFC model to accurately capture the complex strain fields associated with dislocations at the mesoscopic scales, a key step toward modeling more intricate crystalline defect structures and dynamics. © 2024, CC BY.

关键词： Edge dislocations

Fractional coupled Halanay inequality and its applications

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arXiv 2025年

作者： Van Thinh, La Tuan, Hoang The Wang, Dongling Yang, Yin Academy of Finance Le Van Hien Street Duc Thang Ward Bac Tu Liem District Hanoi Viet Nam Institute of Mathematics Vietnam Academy of Science and Technology 18 Hoang Quoc Viet Hanoi10307 Viet Nam Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational Science Xiangtan University Hunan Xiangtan411105 China

This paper introduces a generalized fractional Halanay-type coupled inequality, which serves as a robust tool for characterizing the asymptotic stability of diverse time fractional functional differential equations, particularly those exhibiting Mittag-Leffler type stability. Our main tool is a sub-additive property of Mittag-Leffler function and its optimal asymptotic decay rate estimation. Our results further optimize and improve some existing results in the literature. We illustrate two significant applications of this fractional Halanay-type inequality. Firstly, by combining our results in this work with the positive representation method positive representation of delay differential systems, we establish an asymptotic stability criterion for a category of linear fractional coupled systems with bounded delays. This criterion extends beyond the traditional boundaries of positive system theory, offering a new perspective on stability analysis in this domain. Secondly, through energy estimation, we establish the contractility and dissipativity of a class of time fractional neutral functional differential equations. Our analysis reveals the typical long-term polynomial decay behavior inherent in time fractional evolutionary equations, thereby providing a solid theoretical foundation for subsequent numerical investigations. © 2025, CC BY.

关键词： Asymptotic stability

RECOVERY BASED FINITE ELEMENT METHOD FOR BIHARMONIC EQUATION IN 2D

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Journal of computational Mathematics 2020年第1期38卷 84-102页

作者： Yunqing Huang Huayi Wei Wei Yang Nianyu Yi Key Laboratory of Intelligent Computing&Information Processing of Ministry of Education School of Mathematics and Computational ScienceXiangtan UniversityXiangtan 411105China Hunan Key Laboratory for Computation and Simulation in Science and Engineering School of Mathematics and Computational ScienceXiangtan UniversityXiangtan 411105China

We design and numerically validate a recovery based linear finite element method for solving the biharmonic *** main idea is to replace the gradient operator▽on linear finite element space by G(▽)in the weak formulation of the biharmonic equation,where G is the recovery operator which recovers the piecewise constant function into the linear finite element *** operator G,Laplace operator△is replaced by▽·G(▽).Furthermore,the boundary condition on normal derivative▽u-n is treated by the boundary penalty *** explicit matrix expression of the proposed method is also *** examples on the uniform and adaptive meshes are presented to illustrate the correctness and effectiveness of the proposed method.

关键词： Biharmonic equation Linear finite element Recovery Adaptive

A fast finite difference/finite element method for the two-dimensional distributed-order time-space fractional reaction-diffusion equation

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International Journal of Modeling, simulation, and Scientific Computing 2020年第2期11卷 115-132页

作者： Yaping Zhang Jiliang Cao Weiping Bu Aiguo Xiao School of Mathematics and Computational Science and Hunan Key Laboratory for Computation and Simulation in Science and Engineering Xiangtan University 411105 HunanP.R.China College of Science Shaoyang University 422000 ShaoyangP.R.China

In this work,we develop a finite difference/finite element method for the two-dimensional distributed-order time-space fractional reaction-diffusion equation(2D-DOTSFRDE)with low regularity solution at the initial time.A fast evaluation of the distributedorder time fractional derivative based on graded time mesh is obtained by substituting the weak singular kernel for the *** stability and convergence of the developed semi-discrete scheme to 2D-DOTSFRDE are *** the spatial approximation,the finite element method is *** convergence of the corresponding fully discrete scheme is ***,some numerical tests are given to verify the obtained theoretical results and to demonstrate the effectiveness of the method.

关键词： Distributed-order fractional derivative fractional reaction-diffusion equation fast evaluation graded mesh finite element method error estimate