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Renhai Wang

Publications and source records attributed to Renhai Wang.

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Uniform Large Deviations of Mckean-Vlasov Stochastic Fractional $(α,p)$-Laplacian Equations Driven by Superlinear Noise on $\mathbb{R}^d$

The global-in-time well-posedness and uniform large deviation principles (LDPs) are investigated for a wide class of Mckean-Vlasov stochastic non-local fractional $(α,p)$-Laplacian equations with $α\in (0,1)$ and $p>2$ driven by superlinear multiplicative noise defined on the whole space $\mathbb{R}^d$, where the non-local nonlinear fractional $(α,p)$-Laplace operator is defined by a singular, symmetrical and translation invariant kernel function, the distribution-dependent drift terms have arbitrary polynomial growth and the distribution-dependent diffusion terms have superlinear growth. The global-in-time well-posedness is established under these conditions by using the monotone method and a domain expansion argument. Under additional conditions on the growth of diffusion terms, we establish the Freidlin-Wentzell and Dembo-Zeitouni uniform LDPs by using the generalized weak convergence method developed by Salins (Probab. Surv., 16:99-142, 2019). The idea of uniform tail-ends estimates, the pseudo monotone technique and the Arzelà-Ascoli theorem are combined to prove the weak-to-strong continuity of solution operators of the controlled equations in order to overcome many difficulties caused by the noncompactness of Sobolev embeddings on $\mathbb{R}^d$ and the nonlinearity of the fractional $(α,p)$-Laplace operator. The superlinearly growing diffusion term is carefully controlled by using the dissipative drift terms and several algebraic inequalities.

math.PR

Fragile electron-phonon superconductivity in MnB4 under pressure

The origin of pressure-induced superconductivity in MnB4 remains unclear. Here we show that it can be explained by electron-phonon coupling once the structural space is mapped using both volume and the Mn dimer distance as key structural parameters under compression. Minor changes in the dimer distance significantly affect electronic and phonon properties, bringing the calculated Tc into agreement with experiment. Our results suggest that MnB4 is a highly responsive system, providing a platform for probing the subtle interplay between structural instability, superconductivity and magnetism.

cond-mat.supr-con

Disentangling electronic and phononic contributions to high-temperature superconductivity in X2MH6 hydrides

Understanding the factors that control superconductivity is essential for discovering new superconducting materials using high-throughput elemental substitution. Focusing on the recently predicted ambient-pressure superconducting X2MH6 family, we disentangle the phononic and electronic contributions to Tc to determine how isoelectronic substitution alters superconductivity. While substitution affects both phononic and electronic properties, the electronic contribution plays the dominant role in determining Tc in the X2MH6 family. We show that the electronic contribution is affected by three key factors: the X-H bond distance, the electron localization function networking value of hydrogen, and the hydrogen-projected density of states at the Fermi level. A combined figure of merit derived from these parameters exhibits a robust correlation with Tc across the family. We further show that pressure produces competing effects on superconductivity: it enhances the electronic contribution by shortening X-H bonds, but simultaneously weaken the phononic contribution by increasing phonon frequencies. The net pressure dependence of Tc therefore results from the balance between these opposing tendencies. By disentangling and analyzing the electronic and phononic mechanisms, this work provides comprehensive insight into superconductivity in X2MH6 hydrides and offers practical guidance for designing new high-Tc hydride superconductors.

cond-mat.supr-con

Interpretable descriptors enable prediction of hydrogen-based superconductors at moderate pressures

Room temperature superconductivity remains elusive, and hydrogen-base compounds despite remarkable transition temperatures(Tc) typically require extreme pressures that hinder application. To accelerate discovery under moderate pressures, an interpretable framework based on symbolic regression is developed to predict Tc in hydrogen-based superconductors. A key descriptor is an integrated density of states (IDOS) within 1 eV of the Fermi level (EF), which exhibits greater robustness than conventional single-point DOS features. The resulting analytic model links electronic-structure characteristics to superconducting performance, achieves high accuracy (RMSEtrain = 20.15 K), and generalizes well to external datasets. By relying solely on electronic structure calculations, the approach greatly accelerates materials screening. Guided by this model, four hydrogen-based candidates are identified and validated via calculation: Na2GaCuH6 with Tc =42.04 K at ambient pressure (exceeding MgB2), and NaCaH12, NaSrH12, and KSrH12 with Tc up to 162.35 K, 86.32 K, and 55.13 K at 100 GPa, 25 GPa, and 25 GPa, respectively. Beyond rapid screening, the interpretable form clarifies how hydrogen-projected electronic weight near EF and related features govern Tc in hydrides, offering a mechanism-aware route to stabilize high-Tc phases at reduced pressures.

cond-mat.supr-con

Thermal-induced ion magnetic moment in H$_4$O superionic state

The hydrogen ions in the superionic ice can move freely, playing the role of electrons in metals. Its electromagnetic behavior is the key to explaining the anomalous magnetic fields of Uranus and Neptune. Based on the ab initio evolutionary algorithm, we searched for the stable H4O crystal structure under pressures of 500-5000 GPa and discovered a new layered chain $Pmn2_1$-H$_4$O structure with H$_3$ ion clusters. Interestingly, H3 ion clusters rotate above 900 K (with an instantaneous speed of 3000 m/s at 900 K), generating an instantaneous magnetic moment ($10^{-26}$ Am$^2 \approx 0.001 μ_B$). Moreover, H ions diffuse in a direction perpendicular to the H-O atomic layer at 960-1000 K. This is because the hydrogen oxygen covalent bonds within the hydrogen oxygen plane hinder the diffusion behavior of H$_3$ ion clusters within the plane, resulting in the diffusion of H$_3$ ion clusters between the hydrogen oxygen planes and the formation of a one-dimensional conductive superionic state. One-dimensional diffusion of ions may generate magnetic fields. We refer to these two types of magnetic moments as "thermal-induced ion magnetic moments". When the temperature exceeds 1000 K, H ions diffuse in three directions. When the temperature exceeds 6900 K, oxygen atoms diffuse and the system becomes fluid. These findings provide important references for people to re-recognize the physical and chemical properties of hydrogen and oxygen under high pressure, as well as the sources of abnormal magnetic fields in Uranus and Neptune.

cond-mat.mtrl-sci

Predicting Miscibility in Binary Compounds: A Machine Learning and Genetic Algorithm Study

The combination of data science and materials informatics has significantly propelled the advancement of multi-component compound synthesis research. This study employs atomic-level data to predict miscibility in binary compounds using machine learning, demonstrating the feasibility of such predictions. We have integrated experimental data from the Materials Project (MP) database and the Inorganic Crystal Structure Database (ICSD), covering 2,346 binary systems. We applied a random forest classification model to train the constructed dataset and analyze the key factors affecting the miscibility of binary systems and their significance while predicting binary systems with high synthetic potential. By employing advanced genetic algorithms on the Co-Eu system, we discovered three novel thermodynamically stable phases, CoEu8, Co3Eu2, and CoEu. This research offers valuable theoretical insights to guide experimental synthesis endeavors in binary and complex material systems.

cond-mat.mtrl-sci

Prediction of ambient pressure superconductivity in cubic ternary hydrides with MH$_6$ octahedra

Exploring high-temperature superconducting (high-$T_c$) material at ambient pressure holds immense significance for physics, chemistry, and materials science. In this study, we perform a high-throughput screening of strong electron-phonon interactions in X$_2$MH$_6$ compounds (X = Li, Na, Mg, Al, K, Ca, Ga, Rb, Sr, and In; M are $3d$, $4d$, and $5d$ transition metals). These compounds have a cubic structure featuring an MH$_6$ octahedron motif. Our screening calculations suggest that 26 compounds exhibit dynamic stability and strong electron-phonon coupling. Among these 26 compounds, Mg$_2$RhH$_6$, Mg$_2$IrH$_6$, Al$_2$MnH$_6$, and Li$_2$CuH$_6$ show promising energetic stability and $T_c$ of more than 50 K at ambient pressure. This study underscores promising high-$T_c$ compounds at ambient pressure with distinctive MH$_6$ motifs.

cond-mat.mtrl-sci

Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screening

Boron carbon compounds have been shown to have feasible superconductivity. In our earlier paper [Zheng et al., Phys. Rev. B 107, 014508 (2023)], we identified a new conventional superconductor of LiB3C at 100 GPa. Here, we aim to extend the investigation of possible superconductivity in this structural framework by replacing Li atoms with 27 different cations under pressures ranging from 0 to 100 GPa. Using the high-throughput screening method of zone-center electron-phonon interaction, we find that ternary compounds like CaB3C, SrB3C, TiB3C, and VB3C are promising candidates for superconductivity. The consecutive calculations using the full Brillouin zone confirm that they have Tc < 31 K at moderate pressures. Our study demonstrates that fast screening of superconductivity by calculating zone-center electron-phonon coupling strength is an effective strategy for high-throughput identification of new superconductors.

cond-mat.supr-con

Structural prediction of Fe-Mg-O compounds at Super-Earth's pressures

Terrestrial exoplanets are of great interest for being simultaneously similar to and different from Earth. Their compositions are likely comparable to those of solar-terrestrial objects, but their internal pressures and temperatures can vary significantly with their masses/sizes. The most abundant non-volatile elements are O, Mg, Si, Fe, Al, and Ca, and there has been much recent progress in understanding the nature of magnesium silicates up to and beyond ~3 TPa. However, a critical element, Fe, has yet to be systematically included in materials discovery studies of potential terrestrial planet-forming phases at ultra-high pressures. Here, using the adaptive genetic algorithm (AGA) crystal structure prediction method, we predict several unreported stable crystalline phases in the binary Fe-Mg and ternary Fe-Mg-O systems up to pressures of 3 TPa. The analysis of the local packing motifs of the low-enthalpy Fe-Mg-O phases reveals that the Fe-Mg-O system favors a BCC motif under ultra-high pressures regardless of chemical composition. Besides, oxygen enrichment is conducive to lowering the enthalpies of the Fe-Mg-O phases. Our results extend the current knowledge of structural information of the Fe-Mg-O system to exoplanet pressures.

physics.geo-ph

Asymptotically autonomous robustness in Probability of non-autonomous random attractors for stochastic convective Brinkman-Forchheimer equations on $\mathbb{R}^3$

This article is concerned with the \emph{asymptotically autonomous robustness} (almost surely and in probability) of non-autonomous random attractors for two stochastic versions of 3D convective Brinkman-Forchheimer (CBF) equations defined on the whole space $\mathbb{R}^3$: $$\frac{\partial\boldsymbol{v}}{\partial t}-μΔ\boldsymbol{v}+(\boldsymbol{v}\cdot\nabla)\boldsymbol{v} +α\boldsymbol{v}+ β|\boldsymbol{v}|^{r-1}\boldsymbol{v}+\nabla p=\boldsymbol{f}(t)+``\mbox{stochastic terms}",\quad \nabla\cdot\boldsymbol{v}=0,$$ with initial and boundary vanishing conditions, where $μ,α,β>0$, $r\geq1$ and $\boldsymbol{f}(\cdot)$ is a given time-dependent external force field. By the asymptotically autonomous robustness of a non-autonomous random attractor $ \mathscr{A}=\{ \mathscr{A}(τ,ω): τ\in\mathbb{R}, ω\inΩ\}$ we mean its time-section $\mathscr{A}(τ,ω)$ is robust to a time-independent random set as time $τ$ tends to negative infinity according to the Hausdorff semi-distance of the underlying space. Our goal is to study this topic, almost surely and in probability, for the non-autonomous 3D CBF equations when the stochastic term is a linear multiplicative or additive noise, and the time-dependent forcing converges towards a time-independent function. Our main results contain two cases: i) $r\in(3,\infty)$ with any $β,μ>0$; ii) $r=3$ with $2βμ\geq1$. The main procedure to achieve our goal is how to justify that the usual pullback asymptotic compactness of the solution operators is uniform on some \emph{uniformly} tempered universes over an \emph{infinite} time-interval $(-\infty,τ]$. This can be done by a method based on Kuratowski's measure of noncompactness.

math.PR

Asymptotically autonomous robustness in probability of random attractors for stochastic Navier-Stokes equations on unbounded Poincaré domains

The asymptotically autonomous robustness of random attractors of stochastic fluid equations defined on \emph{bounded} domains has been considered in the literature. In this article, we initially consider this topic (almost surely and in probability) for a non-autonomous stochastic 2D Navier-Stokes equation driven by additive and multiplicative noise defined on some \emph{unbounded Poincaré domains}. There are two significant keys to study this topic: what is the asymptotically autonomous limiting set of the time-section of random attractors as time goes to negative infinity, and how to show the precompactness of a time-union of random attractors over an \emph{infinite} time-interval $(-\infty,τ]$. We guess and prove that such a limiting set is just determined by the random attractor of a stochastic Navier-Stokes equation driven by an autonomous forcing satisfying a convergent condition. The uniform "tail-smallness" and "flattening effecting" of the solutions are derived in order to justify that the usual asymptotically compactness of the solution operators is \emph{uniform} over $(-\infty,τ]$. This in fact leads to the precompactness of the time-union of random attractors over $(-\infty,τ]$. The idea of uniform tail-estimates due to Wang \cite{UTE-Wang} is employed to overcome the noncompactness of Sobolev embeddings on unbounded domains. Several rigorous calculations are given to deal with the pressure terms when we derive these uniform tail-estimates.

math.PR

High-throughput screening of strong electron-phonon couplings in ternary metal diborides

We perform a high-throughput screening on phonon-mediated superconductivity in ternary metal diboride structure with alkali, alkaline earth, and transition metals. We find 17 ground states and 78 low-energy metastable phases. From fast calculations of zone-center electron-phonon coupling, 43 compounds are revealed to show electron-phonon coupling strength higher than that of MgB2. An anti-correlation between energetic stability and electron-phonon coupling strength is identified. We suggest two phases, i.e., Li3ZrB8 and Ca3YB8, to be synthesized, which show reasonable energetic stability and superconducting critical temperature.

cond-mat.supr-con

Asymptotic Autonomy of Random Attractors in Regular Spaces for Non-autonomous Stochastic Navier-Stokes Equations

This article concerns the long-term random dynamics in regular spaces for a non-autonomous Navier-Stokes equation defined on a bounded smooth domain $\mathcal{O}$ driven by multiplicative and additive noise. For the two kinds of noise driven equations, we demonstrate the existence of a unique pullback attractor which is backward compact and asymptotically autonomous in $\mathbb{L}^2(\mathcal{O})$ and $\mathbb{H}_0^1(\mathcal{O})$, respectively. The backward-uniform flattening property of the solution is used to prove the backward-uniform pullback asymptotic compactness of the non-autonomous random dynamical systems in the regular space $\mathbb{H}_0^1(\mathcal{O})$.

math.PR

Structure and motifs of iron oxides from 1 to 3 TPa

Iron oxides are fundamental components of planet-forming materials. Understanding the Fe-O system's behavior and properties under high pressure can help us identify many new phases and states possible in exoplanetary interiors, especially terrestrial ones. Using the adaptive genetic algorithm (AGA), we investigate the structure of iron oxides for a wide range of stoichiometries ($0.25\leq x_O \leq 0.8$) at 1, 2, and 3 TPa. Five unreported ground-state structures with Fe$_2$O, FeO, Fe$_3$O$_5$, FeO$_2$, and FeO$_4$ compositions are identified. The calculated density of states (DOS) suggests that, except for FeO$_4$, all phases are metallic, but their carrier densities decrease with increasing pressure and oxygen content. The cluster alignment analysis of stable and metastable phases shows that several motifs may co-exist in a structure of iron oxides with low O content. In contrast, most iron oxides with high O content adopt a simple BCC motif at TPa pressures. Our results provide a crystal structure database of iron oxides for modeling and understanding the interiors of exoplanets.

cond-mat.mtrl-sci

Asymptotic stability of evolution systems of probability measures for nonautonomous stochastic systems: Theoretical results and applications

The limiting stability of invariant probability measures of time homogeneous transition semigroups for autonomous stochastic systems has been extensively discussed in the literature. In this paper we initially initiate a program to study the asymptotic stability of evolution systems of probability measures of time inhomogeneous transition operators for nonautonomous stochastic systems. A general theoretical result on this topic is established in a Polish space by establishing some sufficient conditions which can be verified in applications. Our abstract results are applied to a stochastic lattice reaction-diffusion equation driven by a time-dependent nonlinear noise. A time-average method and a mild condition on the time-dependent diffusion function are used to prove that the limit of every evolution system of probability measures must be an evolution system of probability measures of the limiting equation. The theoretical results are expected to be applied to various stochastic lattice systems/ODEs/PDEs in the future.

math.AP

Unconventional iron-magnesium compounds at terapascal pressures

Being a lithophile element at ambient pressure, magnesium is long believed to be immiscible with iron. A recent study by Gao et al. [1] showed that pressure turns magnesium into a siderophile element and can produce unconventional Fe-Mg compounds. Here, we extend the investigation to exoplanetary pressure conditions using an adaptive genetic algorithm-based variable-composition structural prediction approach. We identify several Fe-Mg phases up to 3 TPa. Our cluster alignment analysis reveals that most of the predicted Fe-Mg compounds prefer a BCC packing motif at terapascal pressures. This study provides a more comprehensive structure database to support future investigations of the high-pressure structural behavior of Fe-Mg and ternary, quaternary, etc. compounds involving these elements.

cond-mat.mtrl-sci

Prediction of crystal structures and motifs in the Fe-Mg-O system at Earth's core pressures

Fe, Mg, and O are among the most abundant elements in terrestrial planets. While the behavior of the Fe-O, Mg-O, and Fe-Mg binary systems under pressure have been investigated, there are still very few studies of the Fe-Mg-O ternary system at relevant Earth's core and super-Earth's mantle pressures. Here, we use the adaptive genetic algorithm (AGA) to study ternary Fe$_x$Mg$_y$O$_z$ phases in a wide range of stoichiometries at 200 GPa and 350 GPa. We discovered three dynamically stable phases with stoichiometries FeMg$_2$O$_4$, Fe$_2$MgO$_4$, and FeMg$_3$O$_4$ with lower enthalpy than any known combination of Fe-Mg-O high-pressure compounds at 350 GPa. With the discovery of these phases, we construct the Fe-Mg-O ternary convex hull. We further clarify the composition- and pressure-dependence of structural motifs with the analysis of the AGA-found stable and metastable structures. Analysis of binary and ternary stable phases suggest that O, Mg, or both could stabilize a BCC iron alloy at inner core pressures.

cond-mat.mtrl-sci

Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system

By analyzing Fe-Ni-B compositional diagram we predict an energetically and dynamically stable FeNiB2 compound. This system belongs to the class of highly responsive state of material, as it is very sensitive to the external perturbations. This state is also characterized by a high level of spin fluctuations which strongly influence possible magnetic long- and short-range orders. Furthermore, we demonstrate that these antiferromagnetically dominating fluctuations could lead to the appearance of spin mediated superconductivity. The obtained results suggest a promising avenue for the search of strong spin fluctuation systems and related superconductors.

cond-mat.mtrl-sci