Estimation of Formation Enthalpies Using an Extended Miedema Approach
نویسنده
چکیده
Finding prospective high temperature materials for use in advanced coal-fired plants has proven to be an extreme materials challenge. We propose a new methodlogy to predict alloys with high melting temperatures by estimating their formation enthalpies. The Miedema’s approach has been extended to ternary systems using an energy minimization scheme. The power of this approach is demonstrated by calculating the site preference of a number of ternary transition metals additions in β-NiAl to increase its thermal stability.
منابع مشابه
Estimation of effective precipitation for winter wheat in different regions of Iran using an Extended Soil-Water Balance Model
Estimated Effective Precipitation (Pe) in dryland areas is an essential element of water resource management. Itrepresents the amount of precipitation available in the crop root zone to meet the needs of evapotranspiration. Thecurrent study compared different approaches for estimating Pe in different climatic zones of Iran. A two-layer soil–water balance (SWB) model was adopted based on the pro...
متن کاملRobust Tracking Control of Satellite Attitude Using New EKF for Large Rotational Maneuvers
Control of a class of uncertain nonlinear systems, which estimates unavailable state variables, is considered. A new approach for robust tracking control problem of satellite for large rotational maneuvers is presented in this paper. The features of this approach include a strong algorithm to estimate attitude, based on discrete extended Kalman filter combined with a continuous extended Kalman ...
متن کاملEstimation of Fracture path in the Structures and the Influences of Non-singular term on crack propagation
In the present research, a fully Automatic crack propagation as one of the most complicated issues in fracture mechanics is studied whether there is an inclusion or no inclusion in the structures. In this study The Extended Finite Element Method (XFEM) is utilized because of several drawbacks in standard finite element method in crack propagation modeling. Estimated Crack paths are obtained by ...
متن کاملRobust Tracking Control of Satellite Attitude Using New EKF for Large Rotational Maneuvers
Control of a class of uncertain nonlinear systems, which estimates unavailable state variables, is considered. A new approach for robust tracking control problem of satellite for large rotational maneuvers is presented in this paper. The features of this approach include a strong algorithm to estimate attitude, based on discrete extended Kalman filter combined with a continuous extended Kalman ...
متن کاملAccurate enthalpies of formation of alkali and alkaline earth metal oxides and hydroxides: assessment of the correlation consistent composite approach (ccCA).
Computing the enthalpies of formation for alkali metal and alkaline earth metal oxides (M(x)O) and hydroxides [M(OH)(n)] using the Gaussian-n (Gn) and Weismann-n (Wn) ab initio model chemistries is difficult due to an improper treatment of core-valence electron correlation effects. Using a new model chemistry called the correlation consistent Composite Approach (ccCA), enthalpies of formation w...
متن کامل