Nonlinear localized dissipative structures for long-time solution of wave equation

In this dissertation, a new numerical method, Wave Confinement (WC), is developed to efficiently solve the linear wave equation. This is similar to the originally developed Vorticity Confinement method for fluid mechanics problems. It involves modification of the discrete wave equation by adding an extra nonlinear term that can accurately propagate the pulses for long distances without numerical dispersion/diffusion. These pulses are propagated as stable codimension-one surfaces and do not suffer phase shift or amplitude exchange in spite of nonlinearity. The pulses remain thin unlike conventional higher order numerical schemes, which only converge as N (number of grid cells across the pulse) becomes large. The additional term does not interfere with conservation of the important integral quantities such as total amplitude, centroid. Also, properties like varying index of refraction, diffraction, multiple reflections are included and tested.The generated short pulses can be best described as solitary waves, which can recover the shape after a collision due to nondestructive interaction between the pulses. Within the pulse, the dissipative effects due to the numerical errors are balanced with those of nonlinearity and the pulse will its their original form and speed even after many collisions. The pulse is also used as a carrier wave to propagate other properties such as direction. Wave equation solutions in the high frequency approximation can be generated using the carrier wave approach. WC, together with Keller\u27s Approximation is then used to capture diffraction effects from a straight edge. Scattering over complex bodies can be modeled with no use of complicated adaptive grid generation schemes around the bodies. The confinement term smoothens the boundary and prevents stair casing effects but the boundary remains thin.Validation studies have been performed for a number of real flow models and compared to the exact solutions. It is observed that the solutions match quite well with the exact solution. A new approximation for long range propagation of high frequency waves, the Local Parabolic Method , is introduced. There is a wide range of applications such as radio wave propagation, cell phone communications, target detection, etc. This approximation has a number of advantages over the existing paraxial approximation used to simulate radio wave propagation

Computational binding mechanism of Mycobacterium tuberculosis UDP-NAG enolpyruvyl transferase (MurA) with inhibitors fosfomycin, cyclic disulfide analog RWJ-3981, pyrazolopyrimidine analog RWJ-110192, purine analog RWJ-140998, 5-sulfonoxy-anthranilic aci

Worldwide, tuberculosis (TB) remains the most frequent and important infectious disease causing morbidity and death. One-third of the world's population is infected with Mycobacterium tuberculosis (Mtb), the etiologic agent of TB. In this context, TB is in the top three, with malaria and HIV being the leading causes of death from a single infectious agent, and about two million deaths are attributable to TB annually. The bacterial enzyme MurA catalyzes the transfer of enolpyruvate from phosphoenolpyruvate (PEP) to uridine diphospho-N-acetylglucosamine (UNAG), which is the first committed step of bacterial cell wall biosynthesis. In this work, 3D structural model of Mtb-MurA enzyme has been developed, for the first time, by homology modeling and molecular dynamics simulation techniques. The model provided clear insight in its structure features, i.e. substrate binding pocket, and common docking site. Multiple sequence alignment and 3D structure model provided the putative substrate binding pocket of Mtb-MurA with respect to E.coli MurA. This analysis was helpful in identifying the binding sites and molecular function of the MurA homologue. Molecular docking study was performed on this 3D structural model, using different classes of inhibitors like fosfomycin, cyclic disulfide analog RWJ-3981, pyrazolopyrimidine analog RWJ-110192, purine analog RWJ-140998, 5-sulfonoxy-anthranilic acid derivatives T6361, T6362 and the results showed that the 5-sulfonoxyanthranilic acid derivatives is showed best interaction compared with other inhibitor, taking in to this we also design a new efficient analogs of T6361 and T6362 which are showed even better interaction with Mtb-MurA than the parental5-sulfonoxy-anthranilic acid derivatives. Further the comparative molecular electrostatic potential and cavity depth analysis of Mtb-MurA suggested several important differences in its substrate and inhibitor binding pocket. Such differences could be exploited in the future for designing of a more specific inhibitor for Mtb-MurA enzym

Magnetic Ordering Of Eutepbte Multilayers Determined By X-ray Resonant Diffraction

In this work we use resonant x-ray diffraction combined with polarization analysis of the diffracted beam to study the magnetic ordering in EuTePbTe multilayers. The presence of satellites at the (1/2 1/2 1/2) magnetic reflection of a 50 repetition EuTePbTe superlattice demonstrated the existence of magnetic correlations among the alternated EuTe layers. The behavior of the satellites intensity as T increases toward the Ǹel temperature TN indicates that these correlations persist nearly up to TN and suggests the preferential decrease of the magnetic order parameter of external monolayers of each EuTe layer within the superlattice. © 2008 American Institute of Physics.9224Lovesey, S.W., Collins, S.P., (1996) X-Ray Scattering and Absorption by Magnetic Materials, , (Oxford University Press, New York)Granado, E., Pagliuso, P.G., Giles, C., Lora-Serrano, R., Yokaichiya, F., Sarrao, J.L., (2004) Phys. Rev. B, 69, p. 144411. , PRBMDO 0163-1829 10.1103/PhysRevB.69.144411Tonnerre, J.M., Seve, L., Raoux, D., Rodmacq, B., De Santis, M., Troussel, P., Brot, J.M., Chen, C.T., (1995) Nucl. Instrum. Methods Phys. Res. B, 97, p. 444. , NIMBEU 0168-583X 10.1016/0168-583X(94)00721-7Langridge, S., Stirling, W.G., Lander, G.H., Rebizant, J., (1994) Phys. Rev. B, 49, p. 12010. , PRBMDO 0163-1829 10.1103/PhysRevB.49.12010Leiner, V., Ay, M., Zabel, H., (2004) Phys. Rev. B, 70, p. 104429. , PRBMDO 0163-1829 10.1103/PhysRevB.70.104429Kepa, H., Springholz, G., Giebultowicz, T.M., Goldman, K.I., Majkrzak, C.F., Kacman, P., Blinowski, J., Bauer, G., (2003) Phys. Rev. B, 68, p. 024419. , PRBMDO 0163-1829 10.1103/PhysRevB.68.024419Binder, K., Hohenberg, P.C., (1974) Phys. Rev. B, 9, p. 2194. , PLRBAQ 0556-2805 10.1103/PhysRevB.9.2194Oliveira, N.F., Foner, S., Shapira, Y., Reed, T.B., (1972) Phys. Rev. B, 5, p. 2634. , PLRBAQ 0556-2805 10.1103/PhysRevB.5.2634Giles, C., Yokaichiya, F., Kycia, S.W., Sampaio, L.C., Ardiles-Saravia, D.C., Franco, M.K.K., Neuenschwander, R.T., (2003) J. Synchrotron Radiat., 10, p. 430. , JSYRES 0909-0495 10.1107/S0909049503020958Hol, V., Kubena, J., Ploog, K., (1990) Phys. Status Solidi B, 162, p. 347. , PSSBBD 0370-1972 10.1002/pssb.2221620204Nunez, V., Majkrzak, C.F., Springholz, G., Bauer, G., Giebultowicz, T.M., Kepa, H., Goldman, K.I., (1998) Superlattices Microstruct., 23, p. 41. , SUMIEK 0749-6036 10.1006/spmi.1996.0205Giebultowicz, T.M., Kepa, H., Blinowski, J., Kacman, P., (2001) Physica e (Amsterdam), 10, p. 411. , PELNFM 1386-9477 10.1016/S1386-9477(01)00128-

Magnetic ordering of EuTe/PbTe multilayers determined by x-ray resonant diffraction

In this work we use resonant x-ray diffraction combined with polarization analysis of the diffracted beam to study the magnetic ordering in EuTe/PbTe multilayers. The presence of satellites at the (1/2 1/2 1/2) magnetic reflection of a 50 /repetition EuTe/PbTe superlattice demonstrated the existence of magnetic correlations among the alternated EuTe layers. The behavior of the satellites intensity as T increases toward the Neel temperature T(N) indicates that these correlations persist nearly up to T(N) and suggests the preferential decrease of the magnetic order parameter of external monolayers of each EuTe layer within the superlattice. (C) 2008 American Institute of Physics.922

Direct observations of a complex coronal web driving highly structured slow solar wind

The solar wind consists of continuous streams of charged particles that escape into the heliosphere from the Sun, and is split into fast and slow components, with the fast wind emerging from the interiors of coronal holes. Near the ecliptic plane, the fast wind from low-latitude coronal holes is interspersed with a highly structured slow solar wind, the source regions and drivers of which are poorly understood. Here we report extreme-ultraviolet observations that reveal a spatially complex web of magnetized plasma structures that persistently interact and reconnect in the middle corona. Coronagraphic white-light images show concurrent emergence of slow wind streams over these coronal web structures. With advanced global MHD coronal models, we demonstrate that the observed coronal web is a direct imprint of the magnetic separatrix web (S-web). By revealing a highly dynamic portion of the S-web, our observations open a window into important middle-coronal processes that appear to play a key role in driving the structured slow solar wind.Comment: This version of the article has been accepted for publication, after peer review but is not the Version of Record and does not reflect post-acceptance improvements, or any corrections. The Version of Record is available online at: http://dx.doi.org/10.1038/s41550-022-01834-

Coherent and sequential photoassisted tunneling through a semiconductor double barrier structure

We have studied the problem of coherent and sequential tunneling through a double barrier structure, assisted by light considered to be present All over the structure, i,e emitter, well and collector as in the experimental evidence. By means of a canonical transformation and in the framework of the time dependent perturbation theory, we have calculated the transmission coefficient and the electronic resonant current. Our calculations have been compared with experimental results turning out to be in good agreement. Also the effect on the coherent tunneling of a magnetic field parallel to the current in the presence of light, has been considered.Comment: Revtex3.0, 8figures uuencoded compressed tar-fil

Structural And Magnetic Characterization Of Eute/snte Superlattices Grown By Molecular Beam Epitaxy

Here we investigate the structural and magnetic properties of 24 repetitions EuTe/SnTe superlattices (SLs), with 3 monolayers (ML) EuTe films and SnTe thicknesses between 13 and 36 ML. The SLs were grown by molecular beam epitaxy on 3 μm SnTe buffer layers, grown on top of (111)BaF2 substrates. High resolution x-ray diffraction measurements indicated that the SLs with thicker SnTe layers have higher structural quality. This is due to the SnTe growth mode on EuTe, which starts in islands and evolves to layer-by-layer. The magnetic diffraction peak observed for the higher quality SLs proved the existence of antiferromagnetic order within the individual EuTe layers. Decreasing the width of the non-magnetic SnTe layers resulted in rougher interfaces, and the fading of the magnetic peak signal. The magnetization versus applied field curves indicated that the magnetic moments of SLs with thinner SnTe layers were also harder to align along the field direction. We interpret our results considering the loss of Eu neighbors, related with the increasing roughness of the SL interfaces. © 2009 American Institute of Physics.1199157158Kepa, H., (2003) Phys. Rev. B, 68, p. 024419Blinowski, J., Kacman, P., (2001) Phys. Rev. B, 64, p. 045302Oliveira, N.F., Foner, S., Shapira, Y., Reed, T.B., (1972) Phys. Rev. B, 5, p. 2634Díaz, B., (2008) Appl. Phys. Lett, 92, p. 242511Díaz, B., Rappl, P.H.O., Abramof, E., (2007) J. Cryst. Growth, 308, p. 218Holý, V., Kubena, J., Ploog, K., (1990) Phys. Status Solidi B, 162, p. 347Giles, C., (2003) J. Synchrotron Rad, 10, p. 43