arXiv subjects

Lijin Wang

Publications and source records attributed to Lijin Wang.

28 records · Page 2Linked to original sources

arXiv2016

The correlation between fragility, density and atomic interaction in glass-forming liquids

The fragility, that controls the temperature-dependent viscous properties of liquids as the glass transition is approached, in various glass-forming liquids with different atomic interactions and densities is investigated by molecular dynamic simulations. We show the landscape of fragility in purely repulsive systems can be separated into three regions with qualitatively disparate dynamic behaviors, suggesting that the density plays an unexpected role for understanding the repulsive steepness dependence of fragility. Furthermore, the vastly dissimilar influences of attractive interaction on fragility could be estimated from the structural properties of related zero-temperature glasses

cond-mat.soft↗

arXiv2015

Symplectic methods based on Pad$\acute{e}$ approximation for some stochastic Hamiltonian systems

In this article, we introduce a kind of numerical schemes, based on Pad$\acute{e}$ approximation, for two stochastic Hamiltonian systems which are treated separately. For the linear stochastic Hamiltonian systems, it is shown that the applied Pad$\acute e$ approximations $P_{(k,k)}$ give numerical solutions that inherit the symplecticity and the proposed numerical schemes based on $P_{(r,s)}$ are of mean-square order $\frac{r+s}{2}$ under appropriate conditions. In case of the special stochastic Hamiltonian systems with additive noises, the numerical method using two kinds of Pad$\acute e$ approximation $P_{(\hat r,\hat s)}$ and $P_{(\check r,\check s)}$ has mean-square order $\check r+\check s+1$ when $\hat r+\hat s=\check r+\check s+2$. Moreover, the numerical solution is symplectic if $\hat r=\hat s$.

math.NA↗

arXiv2015

On small bases for which $1$ has countably many expansions

Let $q\in(1,2)$. A $q$-expansion of a number $x$ in $[0,\frac{1}{q-1}]$ is a sequence $(δ_i)_{i=1}^\infty\in\{0,1\}^{\mathbb{N}}$ satisfying $$ x=\sum_{i=1}^\infty\frac{δ_i}{q^i}.$$ Let $\mathcal{B}_{\aleph_0}$ denote the set of $q$ for which there exists $x$ with a countable number of $q$-expansions, and let $\mathcal{B}_{1, \aleph_0}$ denote the set of $q$ for which $1$ has a countable number of $q$-expansions. In \cite{Sidorov6} it was shown that $\min\mathcal{B}_{\aleph_0}=\min\mathcal{B}_{1,\aleph_0}=\frac{1+\sqrt{5}}{2},$ and in \cite{Baker} it was shown that $\mathcal{B}_{\aleph_0}\cap(\frac{1+\sqrt{5}}{2}, q_1]=\{ q_1\}$, where $q_1(\approx1.64541)$ is the positive root of $x^6-x^4-x^3-2x^2-x-1=0$. In this paper we show that the second smallest point of $\mathcal{B}_{1,\aleph_0}$ is $q_3(\approx1.68042)$, the positive root of $x^5-x^4-x^3-x+1=0$. Enroute to proving this result we show that $\mathcal{B}_{\aleph_0}\cap(q_1, q_3]=\{ q_2, q_3\}$, where $q_2(\approx1.65462)$ is the positive root of $x^6-2x^4-x^3-1=0$.

math.NT↗

arXiv2014

Effective Computation of Stochastic Protein Kinetic Equation by Reducing Stiffness via Variable Transformation

The stochastic protein kinetic equations can be stiff for certain parameters, which makes their numerical simulation rely on very small time step sizes, resulting in large computational cost and accumulated round-off errors. For such situation, we provide a method of reducing stiffness of the stochastic protein kinetic equation by means of a kind of variable transformation. Theoretical and numerical analysis show effectiveness of this method. Its generalization to a more general class of stochastic differential equation models is also discussed.

math.NA↗

arXiv2014

Modified equations for weak stochastic symplectic schemes via their generating functions

In this paper, a systematic approach of constructing modified equations for weak stochastic symplectic methods of stochastic Hamiltonian systems is given via using the generating functions of the stochastic symplectic methods. This approach is valid for stochastic Hamiltonian systems with either additive noises or half-multiplicative noises, and we prove that the modified equation of the weak stochastic symplectic methods are perturbed stochastic Hamiltonian systems of the original systems, which reveals in certain sense the reason for the good long time numerical behavior of stochastic symplectic methods.

math.NA↗

arXiv2014

Near Preservation of Quadratic Invariants by Stochastic Runge-Kutta Methods

Based on the combinatory theory of rooted colored trees, we investigate the conditions for the explicit stochastic Runge-Kutta (SRK) methods to preserve quadratic invariants (QI) up to certain orders of accuracy. These conditions can supply a practical approach of constructing explicit nearly conservative SRK methods. Meanwhile, we estimate errors in the preservation of QI resulting from iterative implementation of implicit conservative SRK methods with fixed-point and Newton's iterations. Finally, numerical experiments are performed to test the behavior of the methods in preserving QI.

math.NA↗

arXiv2014

Disordered Solids Without Well-Defined Transverse Phonons: The Nature of Hard Sphere Glasses

We probe the Ioffe-Regel limits of glasses with repulsions near the zero-temperature jamming transition by measuring the dynamical structure factors. At zero temperature, the transverse Ioffe-Regel frequency vanishes at the jamming transition with a diverging length, but the longitudinal one does not, which excludes the existence of a diverging length associated with the longitudinal excitations. At low temperatures, the transverse and longitudinal Ioffe-Regel frequencies approach zero at the jamming-like transition and glass transition, respectively. As a consequence, glasses between the glass transition and jamming-like transition, which are hard sphere glasses in the low temperature limit, can only carry well-defined longitudinal phonons and have an opposite pressure dependence of the ratio of the shear modulus to the bulk modulus from glasses beyond the jamming-like transition.

cond-mat.soft↗

arXiv2014

Probing the glass transition from structural and vibrational properties of zero-temperature glasses

We find that the density dependence of the glass transition temperature of Lennard-Jones (LJ) and Weeks-Chandler-Andersen (WCA) systems can be predicted from properties of the zero-temperature ($T=0$) glasses. Below a crossover density $ρ_s$, LJ and WCA glasses show different structures, leading to different vibrational properties and consequently making LJ glasses more stable with higher glass transition temperatures than WCA ones. Above $ρ_s$, structural and vibrational quantities of the $T=0$ glasses show scaling collapse. From scaling relations and dimensional analysis, we predict a density scaling of the glass transition temperature, in excellent agreement with simulation results. We also propose an empirical expression of the glass transition temperature using structural and vibrational properties of the $T=0$ glasses, which works well over a wide range of densities.

cond-mat.soft↗

arXiv2012

Non-monotonic pressure dependence of the dynamics of soft glass-formers at high compressions

In molecular dynamics simulations of soft glass-formers interacting via repulsions, we find that the glass transition temperature, dynamical heterogeneity, and glass fragility reach their maxima at the same crossover pressure $P_d$. Our analysis of the zero-temperature jammed states indicates that states at $P_d$ have the highest bond orientational order with the largest spatial fluctuation. Correspondingly, the low-frequency normal modes of vibration are the least localized and the average potential energy barrier along these modes are the highest for jammed states in the vicinity of $P_d$. The reentrant glass transition and dynamics of supercooled liquids are thus predictable by these structural and vibrational precursors in the zero-temperature jammed states.

cond-mat.soft↗

arXiv2012

Critical scalings and jamming in thermal colloidal systems

During the jamming of thermal colloids, the first peak of the pair distribution function shows a maximum height $g_1^{\rm max}$. We find that $g_1^{\rm max}$ is accompanied by significant change of material properties and thus signifies the transition from unjammed to jammed glasses. The scaling laws at $g_1^{\rm max}$ lead to scaling collapse of structural and thermodynamic quantities, indicating the criticality of the T=0 jamming transition. The physical significance of $g_1^{\rm max}$ is highlighted by its coincidence with the equality of the kinetic and potential energy and the maximum fluctuation of the coordination number. In jammed glasses, we find the strong coupling between the isostaticity and flattening of the density of vibrational states at the isostatic temperature scaled well with the compression.

cond-mat.soft↗