Modeling diffusion of nonspherical particles presents an unsolved and considerable challenge, despite its importance for the understanding of crowding effects in biology, food technology and formulation science. A common approach in experiment and simulation is to map nonspherical objects on effective spheres to subsequently use the established predictions for spheres to approximate phenomena for nonspherical particles. Using numerical evaluation of the hydrodynamic mobility tensor, we show that this so-called effective sphere model fundamentally fails to represent the self-diffusion in solutions of ellipsoids as well as rod-like assemblies of spherical beads. The effective sphere model drastically overestimates the slowing down of self-diffusion down to volume fractions below 0.01. Furthermore, even the linear term relevant at lower volume fraction is inaccurate, linked to a fundamental misconception of effective sphere models. To overcome the severe problems related with the use of effective sphere models, we suggest a protocol to predict the short-time self-diffusion of rod-like systems, based on simulations with hydrodynamic interactions that become feasible even for more complex molecules as the essential observable shows a negligible system-size effect.The flow of electric current in quantum well breaks the space inversion symmetry, which leads to the dependence of the radiation transmission on the relative orientation of current and photon wave vector, this phenomenon can be named current drag of photons. We have developed a microscopic theory of such an effect for intersubband transitions in quantum wells taking into account both depolarization and exchange-correlation effects. It is shown that the effect of the current drag of photons originates from the asymmetry of intersubband optical transitions due to the redistribution of electrons in momentum space. We show that the presence of dc electric current leads to the shift of intersubband resonance position and affects both transmission coefficient and absorbance in quantum wells.Accurate spatial dose delivery in radiotherapy is frequently complicated due to changes in the patient's internal anatomy during and in-between therapy segments. The recent introduction of hybrid MRI radiotherapy systems allows unequaled soft-tissue visualization during radiation delivery and can be used for dose reconstruction to quantify the impact of motion. To this end, knowledge of anatomical deformations obtained from continuous monitoring during treatment has to be combined with information on the spatio-temporal dose delivery to perform motion-compensated dose accumulation (MCDA). Here, the influence of the choice of deformable image registration algorithm, dose warping strategy, and magnetic resonance image resolution and signal-to-noise-ratio on the resulting MCDA is investigated. For a quantitative investigation, four 4D MRI-datasets representing typical patient observed motion patterns are generated using finite element modeling and serve as a gold standard. Energy delivery is simulated intra-fractionally in the deformed image space and, subsequently, MCDA-processed. Finally, the results are substantiated by comparing MCDA strategies on clinically acquired patient data. It is shown that MCDA is needed for correct quantitative dose reconstruction. For prostate treatments, using the energy per mass transfer dose warping strategy has the largest influence on decreasing dose estimation errors.Lithium/sulfur (Li/S) batteries have emerged as one of the most promising next-generation energy storage systems with advantages of high theoretical energy density, low cost and environmental friendliness. However, problems regarding to severe shuttle effect of soluble polysulfide, poor electronic/ionic conductor of solid charged/discharged products (S8 and Li2S), and fatal swell of volume along with the growth of Li dendrites greatly deteriorate the sulfur utilization and capacity retention during extended charge-discharge cycles. With advantages of high nitrogen content, lithiophilic modulation and tunable charge density and charge transfer, carbon nitride (g-C3N4) has played a positive role in restricting the shuttle effects and dendrite formation. This minireview mainly discusses these research achievements of g-C3N4 in Li/S batteries, aiming to provide a basic understanding and direct guidance for further research and development of functionalized g-C3N4 materials in electrical energy storage. The two-diability and ionic conductivity.We systematically investigate the anisotropic magneto-conductivity and planar Hall effect in tilted magnetic topological semimetals in the frame of Kubo formula by considering the vertex correction of velocity. The nonzero anisotropic magneto-conductivity is due to the intrinsic magnetization by magnetic doping rather than the external magnetic field previously studied in literatures. In the scenario, tilt, which is common in band structure, plays a key role in this anisotropic magneto-conductivity. This anisotropic magneto-conductivity completely originates from the band anisotropy. The vertex correction only amends the magnitude, but does not change the qualitative behavior of the longitudinal conductivity. However, the planar Hall conductivity is always zero for tilt along both $x$ and $y$ directions in vivid contrast to the case originated from an external magnetic field. Our work offers a route to understand the anisotropic magneto-conductivity effect in tilted Weyl semimetals with Zeeman field. It will be helpful to get a deeper understanding of the transport characteristic in tilted topological semimetals.Wannier functions have been widely applied in the study of topological properties and Floquet-Bloch bands of materials. Usually, the real-space Wannier functions are linked to the k-space Hamiltonian by two types of Fourier transform (FT), namely lattice-gauge FT (LGFT) and atomic-gauge FT (AGFT), but the differences between these two FTs on Floquet-Bloch bands have rarely been addressed. Taking monolayer graphene as an example, we demonstrated that LGFT gives different topological descriptions on the Floquet-Bloch bands for the structurally equivalent directions which are obviously unphysical, while AGFT is immune to this dilemma. Using AGFT, we showed that linearly polarized laser could effectively manipulate the properties of the Dirac fermions in graphene, such as the location, generation and annihilation of Dirac points. https://www.selleckchem.com/products/xl092.html This proposal offers not only deeper understanding on the role of Wannier functions in solving the Floquet systems, but also a promising platform to study the interaction between the time-periodic laser field and materials.
Modeling diffusion of nonspherical particles presents an unsolved and considerable challenge, despite its importance for the understanding of crowding effects in biology, food technology and formulation science. A common approach in experiment and simulation is to map nonspherical objects on effective spheres to subsequently use the established predictions for spheres to approximate phenomena for nonspherical particles. Using numerical evaluation of the hydrodynamic mobility tensor, we show that this so-called effective sphere model fundamentally fails to represent the self-diffusion in solutions of ellipsoids as well as rod-like assemblies of spherical beads. The effective sphere model drastically overestimates the slowing down of self-diffusion down to volume fractions below 0.01. Furthermore, even the linear term relevant at lower volume fraction is inaccurate, linked to a fundamental misconception of effective sphere models. To overcome the severe problems related with the use of effective sphere models, we suggest a protocol to predict the short-time self-diffusion of rod-like systems, based on simulations with hydrodynamic interactions that become feasible even for more complex molecules as the essential observable shows a negligible system-size effect.The flow of electric current in quantum well breaks the space inversion symmetry, which leads to the dependence of the radiation transmission on the relative orientation of current and photon wave vector, this phenomenon can be named current drag of photons. We have developed a microscopic theory of such an effect for intersubband transitions in quantum wells taking into account both depolarization and exchange-correlation effects. It is shown that the effect of the current drag of photons originates from the asymmetry of intersubband optical transitions due to the redistribution of electrons in momentum space. We show that the presence of dc electric current leads to the shift of intersubband resonance position and affects both transmission coefficient and absorbance in quantum wells.Accurate spatial dose delivery in radiotherapy is frequently complicated due to changes in the patient's internal anatomy during and in-between therapy segments. The recent introduction of hybrid MRI radiotherapy systems allows unequaled soft-tissue visualization during radiation delivery and can be used for dose reconstruction to quantify the impact of motion. To this end, knowledge of anatomical deformations obtained from continuous monitoring during treatment has to be combined with information on the spatio-temporal dose delivery to perform motion-compensated dose accumulation (MCDA). Here, the influence of the choice of deformable image registration algorithm, dose warping strategy, and magnetic resonance image resolution and signal-to-noise-ratio on the resulting MCDA is investigated. For a quantitative investigation, four 4D MRI-datasets representing typical patient observed motion patterns are generated using finite element modeling and serve as a gold standard. Energy delivery is simulated intra-fractionally in the deformed image space and, subsequently, MCDA-processed. Finally, the results are substantiated by comparing MCDA strategies on clinically acquired patient data. It is shown that MCDA is needed for correct quantitative dose reconstruction. For prostate treatments, using the energy per mass transfer dose warping strategy has the largest influence on decreasing dose estimation errors.Lithium/sulfur (Li/S) batteries have emerged as one of the most promising next-generation energy storage systems with advantages of high theoretical energy density, low cost and environmental friendliness. However, problems regarding to severe shuttle effect of soluble polysulfide, poor electronic/ionic conductor of solid charged/discharged products (S8 and Li2S), and fatal swell of volume along with the growth of Li dendrites greatly deteriorate the sulfur utilization and capacity retention during extended charge-discharge cycles. With advantages of high nitrogen content, lithiophilic modulation and tunable charge density and charge transfer, carbon nitride (g-C3N4) has played a positive role in restricting the shuttle effects and dendrite formation. This minireview mainly discusses these research achievements of g-C3N4 in Li/S batteries, aiming to provide a basic understanding and direct guidance for further research and development of functionalized g-C3N4 materials in electrical energy storage. The two-diability and ionic conductivity.We systematically investigate the anisotropic magneto-conductivity and planar Hall effect in tilted magnetic topological semimetals in the frame of Kubo formula by considering the vertex correction of velocity. The nonzero anisotropic magneto-conductivity is due to the intrinsic magnetization by magnetic doping rather than the external magnetic field previously studied in literatures. In the scenario, tilt, which is common in band structure, plays a key role in this anisotropic magneto-conductivity. This anisotropic magneto-conductivity completely originates from the band anisotropy. The vertex correction only amends the magnitude, but does not change the qualitative behavior of the longitudinal conductivity. However, the planar Hall conductivity is always zero for tilt along both $x$ and $y$ directions in vivid contrast to the case originated from an external magnetic field. Our work offers a route to understand the anisotropic magneto-conductivity effect in tilted Weyl semimetals with Zeeman field. It will be helpful to get a deeper understanding of the transport characteristic in tilted topological semimetals.Wannier functions have been widely applied in the study of topological properties and Floquet-Bloch bands of materials. Usually, the real-space Wannier functions are linked to the k-space Hamiltonian by two types of Fourier transform (FT), namely lattice-gauge FT (LGFT) and atomic-gauge FT (AGFT), but the differences between these two FTs on Floquet-Bloch bands have rarely been addressed. Taking monolayer graphene as an example, we demonstrated that LGFT gives different topological descriptions on the Floquet-Bloch bands for the structurally equivalent directions which are obviously unphysical, while AGFT is immune to this dilemma. Using AGFT, we showed that linearly polarized laser could effectively manipulate the properties of the Dirac fermions in graphene, such as the location, generation and annihilation of Dirac points. https://www.selleckchem.com/products/xl092.html This proposal offers not only deeper understanding on the role of Wannier functions in solving the Floquet systems, but also a promising platform to study the interaction between the time-periodic laser field and materials.
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