Bending localization of nitrous oxide under anharmonicity and Fermi coupling:the dynamical potential approach

This paper studies the vibrational nonlinear dynamics of nitrous oxide with Fermi coupling between the symmetric stretching and bending coordinates by classical dynamical potential approach. This is a global approach in the sense that the overall dynamics is evidenced by the classical nonlinear variables such as the fixed points and the focus are on a set of levels instead of individual ones. The dynamics of nitrous oxide is demonstrated to be not so much dependent on the excitation energy. Moreover, the localized bending mode is shown to be ubiquitous in all the energy range studied.

Global dynamical analysis of vibrational manifolds of HOCl and HOBr under anharmonicity and Fermi resonance:the dynamical potential approach

The vibrational dynamics of HOCl and HOBr between bending and OC1/OBr stretching coordinates with anharmonieity and Fermi coupling is studied with the classical dynamical potential approach. The quantal vibrational dynamics is mostly mapped out by the classical nonlinear variables such as fixed points, except for the state energies, which are quantized. This approach is global in the sense that the focus is on a set of levels instead of individual ones. The dynamics of HOBr is demonstrated to be less complicated. The localized modes along the OCl/OBr stretching coordinates are also shown to have O-Br bonds more prone to dissociation.

Dynamical potential approach to dissociation of H-C bond in HCO highly excited vibration

The highly excited vibrational levels of HCO in the electronic ground state, X^1A＇, are employed to determine the coefficients of an algebraic Hamiltonian, by which the dynamical potential is derived and shown to be very useful for interpreting the intramolecular vibrational relaxation （IVR） which operates via the HCO bending motion. The IVR inhibits the dissociation of H atom and enhances the stochastic degree of dynamical character. This approach is from a global viewpoint on a series of levels classified by the polyad number which is a constant of motion in a certain dynamical domain. In this way, the seemingly complicated level structure shows very regular picture, dynamically.

Stathmin destabilizing microtubule dynamics promotes malignant potential in cancer cells by epithelial-mesenchymal transition

BACKGROUND： Stathmin is a ubiquitous cytosolic regulatory phosphoprotein and is overexpressed in different human malignancies. The main physiological function of stathmin is to interfere with microtubule dynamics by promoting depolymerization of microtubules or by preventing polymerization of tubulin heterodimers. Stathmin plays important roles in regulating many cellular functions as a result of its microtubuledestabilizing activity. Currently, the critical roles of stathmin in cancer cells, as well as in lymphocytes have been valued. This review discusses stathmin and microtubule dynamics in cancer development, and hypothesizes their possible relationship with epithelial-mesenchymal transition（EMT）.DATA SOURCES： A PubMed search using such terms as ＂stathmin＂, ＂microtubule dynamics＂, ＂epithelial-mesenchymal transition＂, ＂EMT＂, ＂malignant potential＂ and ＂cancer＂ was performed to identify relevant studies published in English.More than 100 related articles were reviewed.RESULTS： The literature clearly documented the relationship between stathmin and its microtubule-destabilizing activity of cancer development. However, the particular mechanism is poorly understood. Microtubule disruption is essential for EMT, which is a crucial process during cancer development. As a microtubule-destabilizing protein, stathmin may promote malignant potential in cancer cells by initiating EMT.CONCLUSIONS： We propose that there is a stathminmicrotubule dynamics-EMT（S-M-E） axis during cancer development. By this axis, stathmin together with itsmicrotubule-destabilizing activity contributes to EMT, which stimulates the malignant potential in cancer cells.

Trajectory engineering via a space-fractional Schrodinger equation with dynamic linear index potential

We theoretically and numerically study the propagation dynamics of a Gaussian beam modeled by the fractional Schrodinger equation with different dynamic linear potentials. For the limited case α = 1(α is the Lévy index) in the momentum space, the beam suffers a frequency shift which depends on the applied longitudinal modulation and the involved chirp. While in the real space, by precisely controlling the linear chirp, the beam will exhibit two different evolution characteristics: one is the zigzag trajectory propagation induced by multi-reflection occurring at the zeros of spatial spectrum,the other is diffraction-free propagation. Numerical simulations are in full accordance with the theoretical results. Increase of the Lévy index not only results in the drift of those turning points along the transverse direction, but also leads to the delocalization of the Gaussian beam.

Numerical modeling and dynamic analysis of the 2017 Xinmo landslide in Maoxian County, China

A catastrophic landslide occurred at Xinmo village in Maoxian County, Sichuan Province,China, on June 24, 2017. A 2.87×106 m3 rock mass collapsed and entrained the surface soil layer along the landslide path. Eighty-three people were killed or went missing and more than 103 houses were destroyed. In this paper, the geological conditions of the landslide are analyzed via field investigation and high-resolution imagery. The dynamic process and runout characteristics of the landslide are numerically analyzed using a depth-integrated continuum method and Mac Cormack-TVD finite difference algorithm.Computational results show that the evaluated area of the danger zone matchs well with the results of field investigation. It is worth noting that soil sprayed by the high-speed blast needs to be taken into account for such kind of large high-locality landslide. The maximum velocity is about 55 m/s, which is consistent with most cases. In addition, the potential danger zone of an unstable block is evaluated. The potential risk area evaluated by the efficient depthintegrated continuum method could play a significant role in disaster prevention and secondary hazard avoidance during rescue operations.

Multiple reversals of vortex ratchet effects in a superconducting strip with inclined dynamic pinning landscape

Using time-dependent Ginzburg-Landau formalism,we investigate the multiple reversals of ratchet effects in an unpatterned superconducting strip by the tilted dynamic pinning potential.In the case of collinear sliding potential and Lorentz force,vortices are always confined in the channels induced by sliding potential.However,due to the inclination angle of sliding pinning potential with respect to the Lorentz force,vortices could be driven out of the channels,and unexpected results with multiple reversals of vortex rectifications are observed.The mechanism of multiple reversals of vortex rectifications is explored by analyzing different vortex motion scenarios with increasing ac current amplitudes.The multiple reversals of transverse and longitudinal ratchet effects can be highly controlled by ac amplitude and dynamic pinning velocity.What's more,at certain large current the ratchet effect reaches strongest within a wide range of pinning sliding velocity.

MD simulation of a copper rod under thermal shock

In this paper, thermoelastic problem of onedimensional copper rod under thermal shock is simulated using molecular dynamics method by adopting embedded atom method potential. The rod is on axis x, the left outermost surface of which is traction free and the right outermost surface is fixed. Free boundary condition is imposed on the outermost surfaces in direction y and z. The left and right ends of the rod are subjected to hot and cold baths, respectively. Temperature, displacement and stress distributions are obtained along the rod at different moments, which are shown to be limited in the mobile region, indicating that the heat propagation speed is limited rather than infinite. This is consistent with the prediction given by generalized thermoelastic theory. From simulation results we find that the speed of heat conduction is the same as the speed of thermal stress wave. In the present paper, the simulations are conducted using the large-scale atomic/molecular massively parallel simulator and completed visualization software.

Critical Length of Double-Walled Carbon Nanotubes Based Oscillators

The critical lengths of an oscillator based on double-walled carbon nanotubes(DWCNTs)are studied by energy minimization and molecular dynamics simulation.Van der Waals(vdW)potential energy in DWCNTs is shown to be changed periodically with the lattice matching of the inner and outer tubes by using atomistic models with energy minimization method.If the coincidence length between the inner and outer tubes is long enough,the restoring force cannot drive the DWCNT to slide over the vdW potential barrier to assure the DWCNT acts as an oscillator.The critical coincidence lengths of the oscillators are predicted by a very simple equation and then confirmed with energy minimization method for both the zigzag/zigzag system and the armchair/armchair system.The critical length of the armchair/armchair system is much larger than that of the zigzag/zigzag system.The vdW potential energy fluctuation of the armchair/armchair system is weaker than that of the zigzag/zigzag system.So it is easier to slide over the barrier for the armchair/armchair system.The critical lengths of zigzag/zigzag DWCNTbased oscillator are found increasing along with temperature,by molecular dynamics simulations.

Impact of Climate Change on Maize Potential Productivity and the Potential Productivity Gap in Southwest China

The impact of climate change on maize potential productivity and the potential productivity gap in Southwest China（SWC） are investigated in this paper.We analyze the impact of climate change on the photosynthetic,light-temperature,and climatic potential productivity of maize and their gaps in SWC,by using a crop growth dynamics statistical method.During the maize growing season from 1961 to 2010,minimum temperature increased by 0.20℃ per decade（p 〈 0.01） across SWC.The largest increases in average and minimum temperatures were observed mostly in areas of Yunnan Province.Growing season average sunshine hours decreased by 0.2 h day^（-1） per decade（p 〈 0.01） and total precipitation showed an insignificant decreasing trend across SWC.Photosynthetic potential productivity decreased by 298 kg ha^（-1）per decade（p 〈 0.05）.Both light-temperature and climatic potential productivity decreased（p 〈 0.05） in the northeast of SWC,whereas they increased（p 〈 0.05） in the southwest of SWC.The gap between lighttemperature and climatic potential productivity varied from 12 to 2729 kg ha^（-1）,with the high value areas centered in northern and southwestern SWC.Climatic productivity of these areas reached only 10%-24%of the light-temperature potential productivity,suggesting that there is great potential to increase the maize potential yield by improving water management in these areas.In particular,the gap has become larger in the most recent 10 years.Sensitivity analysis shows that the climatic potential productivity of maize is most sensitive to changes in temperature in SWC.The findings of this study are helpful for quantification of irrigation water requirements so as to achieve maximum yield potentials in SWC.

Real-time solution of nonlinear potential flow equations for lifting rotors

Analysis of rotorcraft dynamics requires solution of the rotor induced flow field.Often,the appropriate model to be used for induced flow is nonlinear potential flow theory（which is the basis of vortex-lattice methods）.These nonlinear potential flow equations sometimes must be solved in real time––such as for real-time flight simulation,when observers are needed for controllers,or in preliminary design computations.In this paper,the major effects of nonlinearities on induced flow are studied for lifting rotors in low-speed flight and hover.The approach is to use a nonlinear statespace model of the induced flow based on a Galerkin treatment of the potential flow equations.

Influence of breakup on elastic and α-production channels in the ^6Li＋^116Sn reaction

The effects of breakup reactions on elastic and α-production channels for the ^6Li＋^116Sn system have been investigated at energies below and near the Coulomb barrier. The angular distributions of α-particle production differential cross sections have been obtained at several projectile energies between 22 and 40 MeV. The measured breakup α-particle differential cross sections and elastic scattering angular distributions have been compared with the predictions of continuum-discretized coupled channels（CDCC） calculations. The influence of breakup coupling has also been investigated by extracting dynamic polarization potentials（DPP） from the CDCC calculations. From the predictions of CDCC calculations the relative importance of the nuclear, Coulomb, and total breakup contributions have also been investigated. The nuclear breakup couplings are observed to play an important role in comparison to the Coulomb breakup for the direct breakup mechanisms associated in the reaction of ~6Li projectile with ^（116）Sn target nuclei. The influence of strong nuclear breakup coupling exhibits suppression in the Coulomb-nuclear interference peak. The direct breakup cross sections from the CDCC calculations under-predict the measured α-particle differential cross sections at all energies. This suggests that the measured α particles may also have contributions from other possible breakup reaction channels.

Effect of a high strength chemical industry wastewater on microbial community dynamics and mesophilic methane generation

A high strength chemical industry wastewater was assessed for its impact on anaerobic microbial com- munity dynamics and consequently mesophilic methane generation. Cumulative methane production was 251 mL/g total chemical oxygen demand removed at standard temperature and pressure at the end of 30 days experimental period with a highest recorded methane percentage of 80.6% of total biogas volume. Volatile fatty acids （VFAs） analysis revealed that acetic acid was the major intermediate VFAs produced with propionic acid accumulating over the experimental period. Quantitative analysis of microbial communities in the test and control groups with quantitative real time polymerase chain reaction highlighted that in the test group, Eubacteria （96.3%） was dominant in comparison with methanogens （3.7%）. The latter were dominated by Methanomicrobiales and Methanobacteriales while in test groups increased over the experimental period, reaching a maximum on day 30. Denaturing gradient gel electrophoresis profile was performed, targeting the 16S rRNA gene of Eubacteria and Archaea, with the DNA samples extracted at 3 different time points from the test groups. A phylogenetic tree was constructed for the sequences using the neighborhood joining method. The analysis revealed that the presence of organisms resembling Syntrophomonadaceae could have contributed to increased production of acetic and propionic acid intermediates while decrease of organisms resembling Pelotomaculum sp. could have most likely contributed to accumulation of propionic acid. This study suggested that the degradation of organic components within the high strength industrial wastewater is closely linked with the activity of certain niche microbial communities within eubacteria and methanogens.

An empirical description for the hinge-like mechanism in single-layer black phosphorus:The angle–angle cross interaction

The single-layer black phosphorus is characterized by its puckered configuration that pos- sesses the hinge-like behavior, which leads to the highly anisotropic in-plane Poisson＇s ratios and the negative out-of-plane Poisson＇s ratio. We demonstrate that the hinge-like mechanism can be described by the angle-angle cross interaction, which, combined with the bond stretching and angle bending interactions, is able to provide a good description for the mechanical properties of single-layer black phosphorus. We also propose a nonlinear angle-angle cross interaction, which follows the form of Stillinger-Weber potential and can be advantageous for molecular dynamics simulations of single-layer black phosphorus under large deformation.