Hence, first-principles calculations can predict reliably the existence/loss of anomalous yield-strength.
Theoretical calculations can predict many properties of precursors, such as the bond strength between the metal and the ligand, the thermolysis energy and barrier, the chelation energy, the hydrolysis energy, the formation energy, and so on.
Using a model amorphous alloy series, Zr2Cu1−xPdx (x = 0, 0.55, 0.75 0.75 and 1), we demonstrate that ab initio calculations can predict likely metastable phase formation during devitrification by comparing these with time-resolved X-ray scattering studies.
Although numerical calculations can predict the basic features of the variation of the flow field with rotor angle, the flow field of a stationary rotor, especially at small rotor angles, is not well reproduced in the calculations, suggesting that the assumptions of flow separation at the tips of the blades and the two-dimensionality of the flow are invalid.
Flash calculations can predict amount, composition, and properties of each phase based on pressure, temperature, overall composition, and physical properties of pure components.
For example, Crank-Nicholson diffusion calculations can predict calcium microdomains at distances below 100 nm in spines [8].
The derived calculation formulas can predict metering characteristics, values of steady flow torques and jet angles for the specified design and geometry of the suggested valve.
NODAL calculations, however, can predict the required head values for different liquid rates, shown in Fig. 1 by the curve in dashed line.
These findings suggest that calculations via a 'pollen budget' can predict critical resources for a given size of specialised bee population, and thereby provide a tool in conservation.
Because these parameters are often known or easily estimated, a quick calculation based on simple modeling considerations can predict the uniformity of targeting within a tumor.
