Instead it is to provide a rigorous mechanics-based framework to assess the initiation toughness of anodic bonds that can be used both to evaluate bond quality and to design reliable anodic bonds.
Rigorous fracture mechanics analysis, which exactly satisfies all boundary conditions of the problem, is conducted.
His approach, centered on interdisciplinary integration of rigorous fracture mechanics experiments and mass transport plus reaction rate modeling, provides a roadmap for future developments.
The model provides a starting point for incorporating better descriptions of interfacial reaction kinetics within boundary conditions based on rigorous continuum mechanics.
Tested by simulation results indicates that the models developed can be compared with those derived by rigorous statistical mechanics or even better.
The approach proved its worth when rigorous fluid mechanics treatment based on the solution of first principle equations is not tractable.
This model tries to compensate for the lack of adherence to rigorous continuum mechanics fundamentals of energy-based fatigue models like those of Garud or Ellyin, including not only an energetic approach but also a critical plane approach to the multiaxial fatigue phenomenon.
On the other hand, more rigorous statistical-mechanics based approaches such as free-energy perturbation (FEP) [10] and thermodynamic integration (TI) [11] can provide accurate (Delta G_{bind}) predictions that include thermal conformational sampling by means of e.g. molecular dynamics (MD) simulation [12, 13].
In the current study, we raised the rigorous quantum mechanics/molecular mechanics in combination with semi-empirical Poisson Boltzmann/surface area (QM/MM PB/SA) as an efficient strategy to characterize the intermolecular interaction between Akt kinase and its small-molecule ligands, although this hybrid approach is computationally expensive as compared to those empirical methods.
Since it is not enough for a physical theory to be just fine FAPP, a quantum mechanics needs rigorous foundations.
In the mathematically rigorous formulation of quantum mechanics, developed by John von Neumann, the possible states (more precisely, the pure states) of a quantum mechanical system are represented by unit vectors (called state vectors) residing in a complex separable Hilbert space, known as the state space, well defined up to a complex number of norm 1 (the phase factor).
