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Xiaobo Jing

Publications and source records attributed to Xiaobo Jing.

8 recordsLinked to original sources

Relaxed Lagrange Multiplier (RLM) Schemes for Phase Field Models Preserving the Relaxed Original Energy Dissipation Law

Phase-field models are typically derived from variational principles for a free-energy functional and are widely used to simulate complex multiphase phenomena in science and engineering. A central goal in designing numerical schemes for these models is to preserve the underlying energy-dissipation law. In this paper, we propose a class of relaxed Lagrange multiplier (RLM) schemes for phase field models. In contrast to popular scalar auxiliary variable (SAV) and invariant energy quadratization (IEQ) methods, which dissipate a modified energy involving auxiliary variables, the RLM schemes dissipate a relaxed version of the original energy and closely track the original energy dissipation rate. Compared with the classical Lagrange multiplier (LM) approach, the RLM schemes ensure that the resulting discrete system is uniquely solvable over a broad range of time steps. The key idea is to augment the LM formulation with a relaxation term, yielding a scalar quadratic equation for the multiplier with an explicit closed-form solution. The resulting schemes are linear and efficient because each time step requires solving only two linear systems with constant coefficients, at a cost comparable to that of SAV schemes. We construct both first-order and second-order variants and prove their energy stability. Numerical experiments verify the expected convergence rates and demonstrate that the RLM schemes accurately capture interface dynamics.

math.NA

Strong Stability Preserving Integrating Factor Runge-Kutta Methods for Differential Lyapunov Equations with Positivity Preservation

This paper introduces second- and third-order integrating factor strong stability preserving Runge-Kutta methods for solving differential Lyapunov equations. The proposed schemes break the traditional order barrier while rigorously preserving the symmetry and positive semidefiniteness (SPSD) of numerical solutions-an essential property for stability analysis and control-theoretic applications. Furthermore, we provide a rigorous error estimate for the second-order scheme. Numerical experiments validate the accuracy of the methods and their ability to maintain SPSD properties.

math.NA

Toward a Physical Interpretation of Phase Field Models with Dynamic Boundary Conditions

In recent decades, considerable research has been devoted to partial differential equations (PDEs) with dynamic boundary conditions. However, the physical interpretation of the parameters involved often remains unclear, which in turn limits both theoretical analysis and numerical computation. For instance, the Robin boundary condition used in thermodynamically consistent models with dynamic boundary conditions has been misinterpreted as representing a chemical reaction, or has been generalized in an unjustified manner in numerous works. In this paper, we treat the bulk and surface as a closed system and develop thermodynamically consistent phase field models to clarify the physical meaning of parameters in governing equations and boundary conditions, with particular focus on material and energy exchange between the bulk and surface by connecting it with the nanothermodynamics. Firstly, we commence with the mass and volume conservation law in the close system and elucidate the physical interpretation of the Robin boundary condition, demonstrating that the relevant parameters are connected to the system's characteristic length scale and play a crucial role on the exchanging of material and energy. Furthermore, our analysis justifies the physical necessity for the phase variable in the bulk to differ from that on the surface. Secondly, we construct four more general models capable of describing both irreversible and irreversible-reversible coupling processes using the generalized Onsager principle. Thirdly, we reveal that both conservation and dissipation laws simultaneously determine the mobility operator and free energy, which are two dual variables. Finally, we perform structure-preserving numerical simulations to systematically investigate how reversible processes and characteristic length affect pattern formation.

math-ph

Thermodynamically consistent dynamic boundary conditions of phase field models

We present a general, constructive method to derive thermodynamically consistent models and consistent dynamic boundary conditions hierarchically following the generalized Onsager principle. The method consists of two steps in tandem: the dynamical equation is determined by the generalized Onsager principle in the bulk firstly, and then the surface chemical potential and the thermodynamically consistent boundary conditions are formulated subsequently by applying the generalized Onsager principle at the boundary. The application strategy of the generalized Onsager principle in two-step yields thermodynamically consistent models together with the consistent boundary conditions that warrant a non-negative entropy production rate (or equivalently non-positive energy dissipation rate in isothermal cases) in the bulk as well as at the boundary. We illustrate the method using phase field models of binary materials elaborate on two sets of thermodynamically consistent dynamic boundary conditions. These two types of boundary conditions differ in how the across boundary mass flux participates in boundary surface dynamics. We then show that many existing thermodynamically consistent, binary phase field models together with their dynamic or static boundary conditions are derivable from this method. As an illustration, we show numerically how dynamic boundary conditions affect crystal growth in the bulk using a binary phase field model.

cond-mat.stat-mech

Linear Second Order Energy Stable Schemes of Phase Field Model with Nonlocal Constraints for Crystal Growth

We present a set of linear, second order, unconditionally energy stable schemes for the Allen-Cahn model with a nonlocal constraint for crystal growth that conserves the mass of each phase. Solvability conditions are established for the linear systems resulting from the linear schemes. Convergence rates are verified numerically. Dynamics obtained using the nonlocal Allen-Cahn model are compared with the one obtained using the classic Allen-Cahn model as well as the Cahn-Hilliard model, demonstrating slower dynamics than that of the Allen-Cahn model but faster dynamics than that of the Cahn-Hillard model. Thus, the nonlocal Allen-Cahn model can be an alternative to the Cahn-Hilliard model in simulating crystal growth. Two Benchmark examples are presented to illustrate the prediction made with the nonlocal Allen-Cahn model in comparison to those made with the Allen-Cahn model and the Cahn- Hillard model.

math.NA

Modeling Oral Multispecies Biofilm Recovery After Antibacterial Treatment

Recovery of multispecies oral biofilms is investigated following treatment by chlorhexidine gluconate (CHX), iodine-potassium iodide (IPI) and Sodium hypochlorite (NaOCl) both experimentally and theoretically. Experimentally, biofilms taken from two donors were exposed to the three antibacterial solutions (irrigants) for 10 minutes, respectively. We observe that (a) live bacterial cell ratios decline for a week after the exposure and the trend reverses beyond a week; after fifteen weeks, live bacterial cell ratios in biofilms fully return to their pretreatment levels; (b) NaOCl is shown as the strongest antibacterial agent for the oral biofilms; (c) multispecies oral biofilms from different donors showed no difference in their susceptibility to all the bacterial solutions. Guided by the experiment, a mathematical model for biofilm dynamics is developed, accounting for multiple bacterial phenotypes, quorum sensing, and growth factor proteins, to describe the nonlinear time evolutionary behavior of the biofilms. The model captures time evolutionary dynamics of biofilms before and after antibacterial treatment very well. It reveals the crucial role played by quorum sensing molecules and growth factors in biofilm recovery and verifies that the source of biofilms has a minimal to their recovery. The model is also applied to describe the state of biofilms of various ages treated by CHX, IPI and NaOCl, taken from different donors. Good agreement with experimental data predicted by the model is obtained as well, confirming its applicability to modeling biofilm dynamics in general.

q-bio.QM

Error Estimates of Energy Stable Numerical Schemes for Allen-Cahn Equations with Nonlocal Constraints

We present error estimates for four unconditionally energy stable numerical schemes developed for solving Allen-Cahn equations with nonlocal constraints. The schemes are linear and second order in time and space, designed based on the energy quadratization (EQ) or the scalar auxiliary variable (SAV) method, respectively. In addition to the rigorous error estimates for each scheme, we also show that the linear systems resulting from the energy stable numerical schemes are all uniquely solvable. Then, we present some numerical experiments to show the accuracy of the schemes, their volume-preserving as well as energy dissipation properties in a drop merging simulation.

math.NA

Second Order Linear Energy Stable Schemes for Allen-Cahn Equations with Nonlocal Constraints

We present a set of linear, second order, unconditionally energy stable schemes for the Allen-Cahn equation with nonlocal constraints that preserves the total volume of each phase in a binary material system. The energy quadratization strategy is employed to derive the energy stable semi-discrete numerical algorithms in time. Solvability conditions are then established for the linear systems resulting from the semi-discrete, linear schemes. The fully discrete schemes are obtained afterwards by applying second order finite difference methods on cell-centered grids in space. The performance of the schemes are assessed against two benchmark numerical examples, in which dynamics obtained using the volumepreserving Allen-Cahn equations with nonlocal constraints is compared with those obtained using the classical Allen-Cahn as well as the Cahn-Hilliard model, respectively, demonstrating slower dynamics when volume constraints are imposed as well as their usefulness as alternatives to the Cahn-Hilliard equation in describing phase evolutionary dynamics for immiscible material systems while preserving the phase volumes. Some performance enhancing, practical implementation methods for the linear energy stable schemes are discussed in the end.

math.NA