The emergence of classical behavior in magnetic adatoms

A wide class of nanomagnets shows striking quantum behavior, known as quantum spin tunneling (QST): instead of two degenerate ground states with opposite magnetizations, a bonding-antibonding pair forms, resulting in a splitting of the ground state doublet with wave functions linear combination of two classically opposite magnetic states, leading to the quenching of their magnetic moment. Here we study how QST is destroyed and classical behavior emerges in the case of magnetic adatoms, as the strength of their coupling, either to the substrate or to each other, is increased. Both spin-substrate and spin-spin coupling renormalize the QST splitting to zero allowing the environmental decoherence to eliminate superpositions between classical states, leading to the emergence of spontaneous magnetization.Comment: 5 pages, 4 figure

Depletion of atmospheric nitrate and chloride as a consequence of the Toba Volcanic Eruption

Continuous measurements of SO42− and electrical conductivity (ECM) along the GISP2 ice core record the Toba mega‐eruption at a depth 2590.95 to 2091.25 m (71,000±5000 years ago). Major chemical species were analyzed at a resolution of 1 cm per sample for this section. An ∼6‐year long period with extremely high volcanic SO42− coincident with a 94% depletion of nitrate and 63% depletion of chloride is observed at the depth of the Toba horizon. Such a reduction of chloride in a volcanic layer preserved in an ice core has not been observed in any previous studies. The nearly complete depletion of nitrate (to 5 ppb) encountered at the Toba level is the lowest value in the entire ∼250,000 years of the GISP2 ice core record. We propose possible mechanisms to explain the depletion of nitrate and chloride resulting from this mega‐eruption

The Value of Information in Reservoir Management

This paper analyzes in quantitative terms the effectiveness of information in real-time operation of multipurpose reservoirs. For this, a simple and heuristic method strongly based on the experience of the manager is proposed and tested on the case of Lake Como (northern Italy). Particular attention is devoted to the possibility of evaluating the surplus of benefit due to the information available in real-time in addition to reservoir storage (e.g., snow cover, aquifer depth, and rainfall in the catchment). Moreover, a management scheme based on the direct use of the raw data is compared with a more sophisticated scheme using inflow predictors. Surprisingly, the first scheme, although more simple, performs better, thus justifying to a certain extent the little interest that practitioners sometimes seem to have for real-time forecasting techniques

Calculation of Raman optical activity spectra for vibrational analysis

By looking back on the history of Raman Optical Activity (ROA), the present article shows that the success of this analytical technique was for a long time hindered, paradoxically, by the deep level of detail and wealth of structural information it can provide. Basic principles of the underlying theory are discussed, to illustrate the technique's sensitivity due to its physical origins in the delicate response of molecular vibrations to electromagnetic properties. Following a short review of significant advances in the application of ROA by UK researchers, we dedicate two extensive sections to the technical and theoretical difficulties that were overcome to eventually provide predictive power to computational simulations in terms of ROA spectral calculation. In the last sections, we focus on a new modelling strategy that has been successful in coping with the dramatic impact of solvent effects on ROA analyses. This work emphasises the role of complementarity between experiment and theory for analysing the conformations and dynamics of biomolecules, so providing new perspectives for methodological improvements and molecular modelling development. For the latter, an example of a next-generation force-field for more accurate simulations and analysis of molecular behaviour is presented. By improving the accuracy of computational modelling, the analytical capabilities of ROA spectroscopy will be further developed so generating new insights into the complex behaviour of molecules

Development of models for the two-dimensional, two-fluid code for sodium boiling NATOF-2D

Several features were incorporated into NATOF-2D, a twodimensional, two fluid code developed at M.I.T. for the purpose of analysis of sodium boiling transients under LMFBR conditions. They include improved interfacial mass, momentum and energy exchange rate models, and a cell-to-cell radial heat conduction mechanism which was calibrated by simulation of Westinghouse Blanket Heat Transfer Test Program Runs 544 and 545. Finally, a direct method of pressure field solution was implemented into NATOF-2D, replacing the iterative technique previously available, and resulted in substantially reduced computational costs.The models incorporated into NATOF-2D were tested by running the code to simulate the results of the THORS Bundle 6A Experiments performed at Oak Ridge National Laboratory, and four tests from the W-1 SLSF Experiment performed by the Hanford Engineering Development Laboratory. The results demonstrate the increased accuracy provided by the inclusion of these effects

Preservation of glaciochemical time-series in snow and ice from the Penny Ice Cap, Baffin Island

A detailed investigation of major ion concentrations of snow and ice in the summit region of Penny Ice Cap (PIC) was performed to determine the effects of summer melt on the glaciochemical time-series. While ion migration due to meltwater percolation makes it difficult to confidently count annual layers in the glaciochemical profiles, time-series of these parameters do show good structure and a strong one year spectral component, suggesting that annual to biannual signals are preserved in PIC glaciochemical records

Potential atmospheric impact of the Toba Mega‐Eruption ∼71,000 years ago

An ∼6‐year long period of volcanic sulfate recorded in the GISP2 ice core about 71,100 ± 5000 years ago may provide detailed information on the atmospheric and climatic impact of the Toba mega‐eruption. Deposition of these aerosols occur at the beginning of an ∼1000‐year long stadial event, but not immediately before the longer glacial period beginning ∼67,500 years ago. Total stratospheric loading estimates over this ∼6‐year period range from 2200 to 4400 Mt of H2SO4 aerosols. The range in values is given to compensate for uncertainties in aerosol transport. Magnitude and longevity of the atmospheric loading may have led directly to enhanced cooling during the initial two centuries of this ∼1000‐year cooling event