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While studying magnetism of d- and f-electron systems has been consistently an active research area in physics, chemistry, and biology, there is an increasing interest in the novel magnetism of p-electron systems, especially in graphene and graphene-derived nanostructures. Bulk graphite is diamagnetic in nature, however, graphene is known to exhibit either a paramagnetic response or weak ferromagnetic ordering. Although many groups have attributed this magnetism in graphene to defects or unintentional magnetic impurities, there is a lack of compelling evidence to pinpoint its origin. To resolve this issue, we systematically studied the influence of entropically necessary intrinsic defects (e.g., vacancies, edges) and extrinsic dopants (e.g., S-dopants) on the magnetic properties of graphene. We found that the saturation magnetization of graphene decreased upon sulfur doping suggesting that S-dopants demagnetize vacancies and edges. Our density functional theory calculations provide evidence for: (i) intrinsic defect demagnetization by the formation of covalent bonds between S-dopant and edges/vacancies concurring with the experimental results, and (ii) a net magnetization from only zig-zag edges, suggesting that the possible contradictory results on graphene magnetism in the literature could stem from different defect-types. Interestingly, we observed peculiar local maxima in the temperature dependent magnetizations that suggest the coexistence of different magnetic phases within the same graphene samples.

This is conducted to observe underground temperature and to analyze its change affected by climate condition and soil infiltration in the mountainous area, Yesan region, Chungcheong-namdo province. Additionally, underground temperature change is also simulated using air temperature and soil thermal properties with a numerical model. Soil temperature monitoring data acquired from each depth, 20 cm, 50 cm, and 100 cm, indicates that the data within 50 cm in depth shows peak-shaped big fluctuation directly affected by air temperature and it at 100 cm has open-shaped small fluctuation. Underground temperature variation, a difference between high and low values, during monitoring period is weakly proportional to hydraulic conductivity of the sediment and it is assumed that water plays a part in delivering air temperature in soil. The underground temperature estimated by a numerical model is very similar to the observed data with an average value of 0.99 cross-correlation coefficient. From the result of this study, the aquifer unsaturated hydraulic conductivity of the soil and the groundwater recharge is likely to be able to estimate with underground temperature profile calculated using a numerical model.

Density-functional theory forces, stresses, and energies comprise a database from which the optimal parameters of a spline-based empirical potential combining Stillinger-Weber and modified embedded-atom forms are determined. The accuracy of the potential is demonstrated by calculations of ideal shear, stacking fault, vacancy migration, elastic constants, and phonons all between 0 and 100 GPa. Consistency with existing models and experiments is demonstrated by predictions of screw dislocation core structure and deformation twinning in a tungsten nanorod. Last, the potential is used to study the stabilization of fcc tungsten at high pressure.