Petrology of some oceanic island basalts: PRIMELT2.XLS software for primary magma calculation

PRIMELT2.XLS software is introduced for calculating primary magma composition and mantle potential temperature (TP) from an observed lava composition. It is an upgrade over a previous version in that it includes garnet peridotite melting and it detects complexities that can lead to overestimates in TP by >100°C. These are variations in source lithology, source volatile content, source oxidation state, and clinopyroxene fractionation. Nevertheless, application of PRIMELT2.XLS to lavas from a wide range of oceanic islands reveals no evidence that volatile-enrichment and source fertility are sufficient to produce them. All are associated with thermal anomalies, and this appears to be a prerequisite for their formation. For the ocean islands considered in this work, TP maxima are typically ~1450–1500°C in the Atlantic and 1500–1600°C in the Pacific, substantially greater than ~1350°C for ambient mantle. Lavas from the Galápagos Islands and Hawaii record in their geochemistry high TP maxima and large ranges in both TP and melt fraction over short horizontal distances, a result that is predicted by the mantle plume model

Production of long-lived atomic vapor inside high-density buffer gas

Atomic vapor of four different paramagnetic species: gold, silver, lithium, and rubidium, is produced and studied inside several buffer gases: helium, nitrogen, neon, and argon. The paramagnetic atoms are injected into the buffer gas using laser ablation. Wires with diameters 25 $\mu$m, 50 $\mu$m, and 100 $\mu$m are used as ablation targets for gold and silver, bulk targets are used for lithium and rubidium. The buffer gas cools and confines the ablated atoms, slowing down their transport to the cell walls. Buffer gas temperatures between 20 K and 295 K, and densities between $10^{16}$ cm$^{-3}$ and $2\times10^{19}$ cm$^{-3}$ are explored. Peak paramagnetic atom densities of $10^{11}$ cm$^{-3}$ are routinely achieved. The longest observed paramagnetic vapor density decay times are 110 ms for silver at 20 K and 4 ms for lithium at 32 K. The candidates for the principal paramagnetic-atom loss mechanism are impurities in the buffer gas, dimer formation and atom loss on sputtered clusters.Comment: Some minor editorial changes and corrections, added reference

Quantum initial condition sampling for linearized density matrix dynamics: Vibrational pure dephasing of iodine in krypton matrices

This paper reviews the linearized path integral approach for computing time dependent properties of systems that can be approximated using a mixed quantum-classical description. This approach is applied to studying vibrational pure dephasing of ground state molecular iodine in a rare gas matrix. The Feynman-Kleinert optimized harmonic approximation for the full system density operator is used to sample initial conditions for the bath degrees of freedom. This extremely efficient approach is compared with alternative initial condition sampling techniques at low temperatures where classical initial condition sampling yields dephasing rates that are nearly an order of magnitude too slow compared with quantum initial condition sampling and experimental results.Comment: 20 pages and 8 figure

Predicting and verifying transition strengths from weakly bound molecules

We investigated transition strengths from ultracold weakly bound 41K87Rb molecules produced via the photoassociation of laser-cooled atoms. An accurate potential energy curve of the excited state (3)1Sigma+ was constructed by carrying out direct potential fit analysis of rotational spectra obtained via depletion spectroscopy. Vibrational energies and rotational constants extracted from the depletion spectra of v'=41-50 levels were combined with the results of the previous spectroscopic study, and they were used for modifying an ab initio potential. An accuracy of 0.14% in vibrational level spacing and 0.3% in rotational constants was sufficient to predict the large observed variation in transition strengths among the vibrational levels. Our results show that transition strengths from weakly bound molecules are a good measure of the accuracy of an excited state potential.Comment: 7 pages, 7 figure

Experimental evidence of thermal fluctuations on the X-ray absorption near-edge structure at the aluminum K-edge

After a review of temperature-dependent experimental x-ray absorption near-edge structure (XANES) and related theoretical developments, we present the Al K-edge XANES spectra of corundum and beryl for temperature ranging from 300K to 930K. These experimental results provide a first evidence of the role of thermal fluctuation in XANES at the Al K-edge especially in the pre-edge region. The study is carried out by polarized XANES measurements of single crystals. For any orientation of the sample with respect to the x-ray beam, the pre-edge peak grows and shifts to lower energy with temperature. In addition temperature induces modifications in the position and intensities of the main XANES features. First-principles DFT calculations are performed for both compounds. They show that the pre-edge peak originates from forbidden 1s to 3s transitions induced by vibrations. Three existing theoretical models are used to take vibrations into account in the absorption cross section calculations: i) an average of the XANES spectra over the thermal displacements of the absorbing atom around its equilibrium position, ii) a method based on the crude Born-Oppenheimer approximation where only the initial state is averaged over thermal displacements, iii) a convolution of the spectra obtained for the atoms at the equilibrium positions with an approximate phonon spectral function. The theoretical spectra so obtained permit to qualitatively understand the origin of the spectral modifications induced by temperature. However the correct treatment of thermal fluctuation in XANES spectroscopy requires more sophisticated theoretical tools

Graph Convolutional Networks for Model-Based Learning in Nonlinear Inverse Problems

The majority of model-based learned image reconstruction methods in medical imaging have been limited to uniform domains, such as pixelated images. If the underlying model is solved on nonuniform meshes, arising from a finite element method typical for nonlinear inverse problems, interpolation and embeddings are needed. To overcome this, we present a flexible framework to extend model-based learning directly to nonuniform meshes, by interpreting the mesh as a graph and formulating our network architectures using graph convolutional neural networks. This gives rise to the proposed iterative Graph Convolutional Newton-type Method (GCNM), which includes the forward model in the solution of the inverse problem, while all updates are directly computed by the network on the problem specific mesh. We present results for Electrical Impedance Tomography, a severely ill-posed nonlinear inverse problem that is frequently solved via optimization-based methods, where the forward problem is solved by finite element methods. Results for absolute EIT imaging are compared to standard iterative methods as well as a graph residual network. We show that the GCNM has strong generalizability to different domain shapes and meshes, out of distribution data as well as experimental data, from purely simulated training data and without transfer training

On the mutual polarization of two He-4 atoms

We propose a simple method based on the standard quantum-mechanical perturbation theory to calculate the mutual polarization of two atoms He^4.Comment: 9 pages, 1 table; the article is revised and the calculation is essentially refined; v4: final version, the Introduction is delete

C_2 in Peculiar DQ White Dwarfs

White dwarfs (WDs) with carbon absorption features in their optical spectra are known as DQ WDs. The subclass of peculiar DQ WDs are cool objects (T_eff<6000 K) which show molecular absorption bands that have centroid wavelengths ~100-300 Angstroms shortward of the bandheads of the C_2 Swan bands. These "peculiar DQ bands" have been attributed to a hydrocarbon such as C_2H. We point out that C_2H does not show strong absorption bands with wavelengths matching those of the peculiar DQ bands and neither does any other simple molecule or ion likely to be present in a cool WD atmosphere. The most straightforward explanation for the peculiar DQ bands is that they are pressure-shifted Swan bands of C_2. While current models of WD atmospheres suggest that, in general, peculiar DQ WDs do not have higher photospheric pressures than normal DQ WDs do, that finding requires confirmation by improved models of WD atmospheres and of the behavior of C_2 at high pressures and temperatures. If it is eventually shown that the peculiar DQ bands cannot be explained as pressure-shifted Swan bands, the only explanation remaining would seem to be that they arise from highly rotationally excited C_2 (J_peak>45). In either case, the absorption band profiles can in principle be used to constrain the pressure and the rotational temperature of C_2 in the line-forming regions of normal and peculiar DQ WD atmospheres, which will be useful for comparison with models. Finally, we note that progress in understanding magnetic DQ WDs may require models which simultaneously consider magnetic fields, high pressures and rotational excitation of C_2.Comment: ApJ in press. 8 pages emulateapj style, 1 figur

High-resolution Fourier-transform XUV photoabsorption spectroscopy of 14N15N

The first comprehensive high-resolution photoabsorption spectrum of 14N15N has been recorded using the Fourier-transform spectrometer attached to the Desirs beamline at the Soleil synchrotron. Observations are made in the extreme ultraviolet (XUV) and span 100,000-109,000 cm-1 (100-91.7 nm). The observed absorption lines have been assigned to 25 bands and reduced to a set of transition energies, f values, and linewidths. This analysis has verified the predictions of a theoretical model of N2 that simulates its photoabsorption and photodissociation cross section by solution of an isotopomer independent formulation of the coupled-channel Schroedinger equation. The mass dependence of predissociation linewidths and oscillator strengths is clearly evident and many local perturbations of transition energies, strengths, and widths within individual rotational series have been observed.Comment: 14 pages, 8 figures, one data archiv

Molecular Dipolar Crystals as High Fidelity Quantum Memory for Hybrid Quantum Computing

We study collective excitations of rotational and spin states of an ensemble of polar molecules, which are prepared in a dipolar crystalline phase, as a candidate for a high fidelity quantum memory. While dipolar crystals are formed in the high density limit of cold clouds of polar molecules under 1D and 2D trapping conditions, the crystalline structure protects the molecular qubits from detrimental effects of short range collisions. We calculate the lifetime of the quantum memory by identifying the dominant decoherence mechanisms, and estimate their effects on gate operations, when a molecular ensemble qubit is transferred to a superconducting strip line cavity (circuit QED). In the case rotational excitations coupled by dipole-dipole interactions we identify phonons as the main limitation of the life time of qubits. We study specific setups and conditions, where the coupling to the phonon modes is minimized. Detailed results are presented for a 1D dipolar chain