Toward an internally consistent pressure scale

Toward an internally consistent pressure scale.

Our ability to interpret seismic observations including the seismic discontinuities and the density and velocity profiles in the earth's interior is critically dependent on the accuracy of pressure measurements up to 364 GPa at high temperature. Pressure scales based on the reduced shock-wave equations of state alone may predict pressure variations up to 7% in the megabar pressure range at room...

Internally Consistent Predictions of Surface Structural Relaxations

Using density functional theory, we have performed structural relaxations of Rh (111) and Cu (100). To obtain accurate results, these calculations must be converged with respect to all computational approximations. In particular, it is vital to treat Brillouin zone integration with care, taking into account the effect of finite k-point sampling on surface and bulk structural properties. A new m...

Selecting internally consistent physicochemical properties of organic compounds.

Methods are presented for selecting values of chemical properties of vapor pressure, water solubility, Henry's law constant, and octanol-water and octanol-air partition coefficients, which are subject to thermodynamic constraints, while taking advantage of all measurements. The aim of the mathematical procedures is to find the one set of internally consistent partitioning parameters that is min...

An internally consistent dataset of δ13C-DIC in the North Atlantic Ocean – NAC13v1

The stable carbon isotope composition of dissolved inorganic carbon (δ13C-DIC) can be used to quantify fluxes within the carbon system. For example, knowing the δ13C signature of the inorganic carbon pool can help in describing the amount of anthropogenic carbon in the water column. The measurements can also be used for evaluating modeled carbon fluxes, for making basin-wide estimates of anthro...

An Internally Consistent Approach for Modeling Solid-State Aggregation: II. Mean-Field Representation of Atomistic Processes