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Abstract In solar wind turbulence, the energy transfer/dissipation rate is typically estimated using MHD third-order structure functions calculated using spacecraft observations. However, the inherent anisotropy of solar wind turbulence leads to significant variations in structure functions along different observational directions, thereby affecting the accuracy of energy dissipation rate estimation. An unresolved issue is how to optimise the selection of observation angles under limited directional sampling to improve estimation precision. We conduct a series of MHD turbulence simulations with different mean magnetic field strengths,B₀. Our analysis of the third-order structure functions reveals that the global energy dissipation rate estimated around a polar angle ofθ = 60^∘agrees reasonably with the exact one for 0 ≤B₀/b_rms≤ 5, whereb_rmsdenotes the rms magnetic field fluctuation. The speciality of 60^∘polar angle can be understood by the mean value theorem of integrals, since the spherical integral of the polar-angle component ( $\widetilde{T_{\theta }}$) of the divergence of Yaglom flux is zero, and $\widetilde{T_{\theta }}$changes sign around 60^∘. Existing theory on the energy flux vector as a function of the polar angle is assessed, and supports the speciality of the 60^∘polar angle. The angular dependence of the third-order structure functions is further assessed with virtual spacecraft data analysis. The present results can be applied to measure the turbulent dissipation rates of energy in the solar wind, which are of potential importance to other areas in which turbulence takes place, such as laboratory plasmas and astrophysics. 

The ring polymer molecular dynamics (RPMD) rate theory is an efficient and accurate method for estimating rate coefficients of chemical reactions affected by nuclear quantum effects. The commonly used RPMD treatment of gas-phase bimolecular reactions adopts two dividing surfaces, one at the transition state and another in the reactant asymptote, where the translational partition function is separable from other partition functions and can be readily obtained. With some exceptions, however, this strategy is difficult to implement for processes on surfaces or in solutions, because reactants are often strongly coupled with the extended medium (surface or solvent) and, thus, non-separable. Under such circumstances, the RPMD rate theory with a single dividing surface (SDS) is better suited. However, most of its implementations adopted Cartesian forms of the reaction coordinate, which may not be ideal for describing complex reactions. Here, we present an SDS-based RPMD implementation, which is able to tackle the aforementioned challenges. This approach is demonstrated in four representative reactions, including the gas-phase H + H2 exchange reaction, gas-phase CH3NC isomerization, H recombinative desorption from Pt(111), and NO desorption from Pd(111). This implementation, which is applicable to both uni- and bi-molecular reactions, offers a unified treatment of gas-phase and surface reaction rate calculations on the same footing. 

ABSTRACT Non‐negative Matrix Factorization (NMF) is an effective algorithm for multivariate data analysis, including applications to feature selection, pattern recognition, and computer vision. Its variant, Semi‐Nonnegative Matrix Factorization (SNF), extends the ability of NMF to render parts‐based data representations to include mixed‐sign data. Graph Regularized SNF builds upon this paradigm by adding a graph regularization term to preserve the local geometrical structure of the data space. Despite their successes, SNF‐related algorithms to date still suffer from instability caused by the Frobenius norm due to the effects of outliers and noise. In this paper, we present a new SNF algorithm that utilizes the noise‐insensitive norm. We provide monotonic convergence analysis of the SNF algorithm. In addition, we conduct numerical experiments on three benchmark mixed‐sign datasets as well as several randomized mixed‐sign matrices to demonstrate the performance superiority of SNF over conventional SNF algorithms under the influence of Gaussian noise at different levels. 

Nuclear morphology plays a critical role in regulating gene expression and cell functions. While most research has focused on the direct effects of nuclear morphology on cell fate, its impact on the cell secretome and surrounding cells remains largely unexplored. In this study, we fabricate implants with a micropillar topography using methacrylated poly(octamethylene citrate)/hydroxyapatite (mPOC/HA) composites to investigate how micropillar-induced nuclear deformation influences cell secretome for osteogenesis and cranial bone regeneration. In vitro, cells with deformed nuclei show enhanced secretion of proteins that support extracellular matrix (ECM) organization, which promotes osteogenic differentiation in neighboring mesenchymal stromal cells (MSCs). In a female mouse model with critical-size cranial defects, nuclear-deformed MSCs on micropillar mPOC/HA implants elevate Col1a2 expression, contributing to bone matrix formation, and drive cell differentiation toward osteogenic progenitor cells. These findings indicate that micropillars modulate the secretome of hMSCs, thereby influencing the fate of surrounding cells through matricrine effects. 

Abstract Energy transferred in atom‐surface collisions typically depends strongly on projectile mass, an effect that can be experimentally detected by isotopic substitution. In this work, we present measurements of inelastic H and D atom scattering from a semiconducting Ge(111)c(2×8) surface exhibiting two scattering channels. The first channel shows the expected isotope effect and is quantitatively reproduced by electronically adiabatic molecular dynamics simulations. The second channel involves electronic excitations of the solid and, surprisingly, exhibits almost no isotope effect. We attribute these observations to scattering dynamics, wherein the likelihood of electronic excitation varies with the impact site engaged in the interaction. Key PointsPrevious work revealed that H atoms with sufficient translational energy can excite electrons over the band gap of a semiconductor in a surface collision.We studied the isotope effect of the energy transfer by H/D substitution and performed band structure calculations to elucidate the underlying excitation mechanism.Our results suggest a site‐specific mechanism that requires the atom to hit a specific surface site to excite an electron‐hole pair.