Lattice distortion in hcp rare gas solids

The lattice distortion parameter $\delta \equiv c/a-\sqrt{8/3}$ has been calculated as a function of molar volume for the hcp phases of He, Ar, Kr and Xe. Results from both semi-empirical potentials and density functional theory are presented. Our study shows that $\delta$ is negative for helium in the entire pressure range. For Ar, Kr and Xe, however, $\delta$ changes sign from negative to positive as the pressure increases, growing rapidly in magnitude at higher pressures.Comment: Submitted to Low. Temp. Phys., 14 pages, 5 figure

Continent formation through time

The continental crust is the primary archive of geological history, and is host to most of our natural resources. Thus, the following remain critical questions in Earth Science, and provide an underlying theme to all of the contributions within this volume: when, how and where did the continental crust form? How did it differentiate and evolve through time? How has it has been preserved in the geological record? This introductory review provides a background to these themes, and provides an outline of the contributions contained within this volum

Automated Fault Detection in the Arabian Basin

In recent years, there has been a rapid development of the computer-aided interpretation of seismic data to reduce the otherwise intensive manual labor. A variety of seed detection algorithms for horizon and fault identification are integrated into popular seismic software packages. Recently, there has been an increasing focus on using neural networks for fully automatic faults detection without manually seeding each fault. These networks are usually trained with synthetic fault data sets. These data sets can be used across multiple seismic data sets; however, they are not as accurate as real seismic data, particularly in structurally complex regions associated with several generations of faults. The approach taken here is to combine the accuracy of manual fault identification in certain parts of the data set with a convolutional neural network that can then sweep through the entire data set to identify faults. We have implemented our method using 3D seismic data acquired from the Arabian Basin in Saudi Arabia covering an area of 1051 km2. The network is trained, validated, and tested with samples that included a seismic cube and fault images that are labeled manually corresponding to the seismic cube. The model successfully identified faults with an accuracy of 96% and an error rate of 0.12 on the training data set. To achieve a robust model, we further enhanced the prediction results using postprocessing by linking discontinued segments of the same fault line, thus reducing the number of detected faults. The postprocessing improved the prediction results from the test data set by 77.5%. In addition, we introduced an efficient framework to correlate the predictions and the ground truth by measuring their average distance value. Furthermore, tests using this approach also were conducted on the F3 Netherlands survey with complex fault geometries and find promising results. As a result, fault detection and diagnosis were achieved efficiently with structures similar to the trained data set

The S0_0(0) structure in highly compressed hydrogen and the orientational transition

A calculation of the rotational S$_0$(0) frequencies in high pressure solid para-hydrogen is performed. Convergence of the perturbative series at high density is demonstrated by the calculation of second and third order terms. The results of the theory are compared with the available experimental data to derive the density behaviour of structural parameters. In particular, a strong increase of the value of the lattice constant ratio $c/a$ and of the internuclear distance is determined. Also a decrease of the anisotropic intermolecular potential is observed which is attributed to charge transfer effects. The structural parameters determined at the phase transition may be used to calculate quantum properties of the rotationally ordered phase.Comment: accepted Europhysics Letter

The Complex Dynamic of Phase I Drug Metabolism in the Early Stages of Doxorubicin Resistance in Breast Cancer Cells

Funding: This research was partly funded by the Research Center grant ToxOmics (UIDB/00009/2020 and UIDP/0009/2020), from the Portuguese Fundação para a Ciência e a Tecnologia—FCTThe altered activity of drug metabolism enzymes (DMEs) is a hallmark of chemotherapy resistance. Cytochrome P450s (CYPs), mainly CYP3A4, and several oxidoreductases are responsible for Phase I metabolism of doxorubicin (DOX), an anthracycline widely used in breast cancer (BC) treatment. This study aimed to investigate the role of Phase I DMEs involved in the first stages of acquisition of DOX-resistance in BC cells. For this purpose, the expression of 92 DME genes and specific CYP-complex enzymes activities were assessed in either sensitive (MCF-7 parental cells; MCF-7/DOXS) or DOX-resistant (MCF-7/DOXR) cells. The DMEs genes detected to be significantly differentially expressed in MCF-7/DOXR cells (12 CYPs and eight oxidoreductases) were indicated previously to be involved in tumor progression and/or chemotherapy response. The analysis of CYP-mediated activities suggests a putative enhanced CYP3A4-dependent metabolism in MCF-7/DOXR cells. A discrepancy was observed between CYP-enzyme activities and their corresponding levels of mRNA transcripts. This is indicative that the phenotype of DMEs is not linearly correlated with transcription induction responses, confirming the multifactorial complexity of this mechanism. Our results pinpoint the potential role of specific CYPs and oxidoreductases involved in the metabolism of drugs, retinoic and arachidonic acids, in the mechanisms of chemo-resistance to DOX and carcinogenesis of BC.publishersversionpublishe

Modelling colloids with Baxter's adhesive hard sphere model

The structure of the Baxter adhesive hard sphere fluid is examined using computer simulation. The radial distribution function (which exhibits unusual discontinuities due to the particle adhesion) and static structure factor are calculated with high accuracy over a range of conditions and compared with the predictions of Percus--Yevick theory. We comment on rigidity in percolating clusters and discuss the role of the model in the context of experiments on colloidal systems with short-range attractive forces.Comment: 14 pages, 7 figures. (For proceedings of "Structural arrest in colloidal systems with short-range attractive forces", Messina, December 2003

Spontaneous Magnetization of the O(3) Ferromagnet at Low Temperatures

We investigate the low-temperature behavior of ferromagnets with a spontaneously broken symmetry O(3) $\to$ O(2). The analysis is performed within the perspective of nonrelativistic effective Lagrangians, where the dynamics of the system is formulated in terms of Goldstone bosons. Unlike in a Lorentz-invariant framework (chiral perturbation theory), where loop graphs are suppressed by two powers of momentum, loops involving ferromagnetic spin waves are suppressed by three momentum powers. The leading coefficients of the low-temperature expansion for the partition function are calculated up to order $p^{10}$. In agreement with Dyson's pioneering microscopic analysis of the cubic ferromagnet, we find that, in the spontaneous magnetization, the magnon-magnon interaction starts manifesting itself only at order $T^4$. The striking difference with respect to the low-temperature properties of the O(3) antiferromagnet is discussed from a unified point of view, relying on the effective Lagrangian technique.Comment: 23 pages, 4 figure

Nuclear Magnetic Relaxation in the Ferrimagnetic Chain Compound NiCu(C_7_H_6_N_2_O_6_)(H_2_O)_3_2H_2_O: Three-Magnon Scattering?

Recent proton spin-lattice relaxation-time (T_1_) measurements on the ferrimagnetic chain compound NiCu(C_7_H_6_N_2_O_6_)(H_2_O)_3_2H_2_O are explained by an elaborately modified spin-wave theory. We give a strong evidence of the major contribution to 1/T_1_ being made by the three-magnon scattering rather than the Raman one.Comment: J. Phys.: Condens. Matter 16, No. 49, 9023 (2004

Nanostratification of optical excitation in self-interacting 1D arrays

The major assumption of the Lorentz-Lorenz theory about uniformity of local fields and atomic polarization in dense material does not hold in finite groups of atoms, as we reported earlier [A. E. Kaplan and S. N. Volkov, Phys. Rev. Lett., v. 101, 133902 (2008)]. The uniformity is broken at sub-wavelength scale, where the system may exhibit strong stratification of local field and dipole polarization, with the strata period being much shorter than the incident wavelength. In this paper, we further develop and advance that theory for the most fundamental case of one-dimensional arrays, and study nanoscale excitation of so called "locsitons" and their standing waves (strata) that result in size-related resonances and related large field enhancement in finite arrays of atoms. The locsitons may have a whole spectrum of spatial frequencies, ranging from long waves, to an extent reminiscent of ferromagnetic domains, -- to super-short waves, with neighboring atoms alternating their polarizations, which are reminiscent of antiferromagnetic spin patterns. Of great interest is the new kind of "hybrid" modes of excitation, greatly departing from any magnetic analogies. We also study differences between Ising-like near-neighbor approximation and the case where each atom interacts with all other atoms in the array. We find an infinite number of "exponential eigenmodes" in the lossless system in the latter case. At certain "magic" numbers of atoms in the array, the system may exhibit self-induced (but linear in the field) cancellation of resonant local-field suppression. We also studied nonlinear modes of locsitons and found optical bistability and hysteresis in an infinite array for the simplest modes.Comment: 39 pages, 5 figures; v2: Added the Conclusions section, corrected a typo in Eq. (5.3), corrected minor stylistic and grammatical imperfection

On chemiluminescent emission from an infiltrated chiral sculptured thin film

The theory describing the far-field emission from a dipole source embedded inside a chiral sculptured thin film (CSTF), based on a spectral Green function formalism, was further developed to allow for infiltration of the void regions of the CSTF by a fluid. In doing so, the extended Bruggeman homogenization formalism--which accommodates constituent particles that are small compared to wavelength but not vanishingly small--was used to estimate the relative permittivity parameters of the infiltrated CSTF. For a numerical example, we found that left circularly polarized (LCP) light was preferentially emitted through one face of the CSTF while right circularly polarized (RCP) light was preferentially emitted through the opposite face, at wavelengths within the Bragg regime. The centre wavelength for the preferential emission of LCP/RCP light was red shifted as the refractive index of the infiltrating fluid increased from unity, and this red shift was accentuated when the size of the constituent particles in our homogenization model was increased. Also, the bandwidth of the preferential LCP/RCP emission regime decreased as the refractive index of the infiltrating fluid increased from unity