The aim of this article was to present a new thermodynamic-based model for bone remodeling which is able to predict the functional adaptation of bone in response to changes in both mechanical and biochemical environments. The model was based on chemical kinetics and irreversible thermodynamic principles, in which bone is considered as a self-organizing system that exchanges matter, energy and entropy with its surroundings. The governing equations of the mathematical model have been numerically solved using Matlab software and implemented in ANSYS software using the Finite Element Method. With the aid of this model, the whole inner structure of bone was elucidated. The current model suggested that bone remodeling was a dynamic process which was driven by mechanical loading, metabolic factors and other external contributions. The model clearly indicated that in the absence of mechanical stimulus, the bone was not completely resorbed and reaches a new steady state after about 50% of bone loss. This finding agreed with previous clinical studies. Furthermore, results of virtual computations of bone density in a composite femur showed the development of a dense cortical bone around the medullary canal and a dense trabeculae bone between the femoral head and the calcar region of the medial cortex due to compressive stresses. The comparison of the predicted bone density with the structure of the proximal femur obtained from X-rays and using strain energy density gave credibility to the current model.

The classical theory of homogeneous bubble nucleation is reconsidered by employing a phenomenological nucleation barrier in the capillarity approximation that utilizes the superheat threshold achieved in experiments. Consequently, an algorithm is constructed for the evaluation of the superheat temperatures in homogeneous boiling (tensile strengths in cavitation), the critical radii and steady-state nucleation rates. The nucleation theorem is written in this framework and is applied to the classical theory of homogeneous bubble nucleation for the phenomenological nucleation barrier employed. The superheat temperatures calculated show excellent agreement over a wide range of liquid pressures for most of the substances investigated. The steady-state nucleation rates are also altered by many orders of magnitude, in agreement with the results of previous investigators using different approaches.

This paper offers a theoretical explanation of the coupling effect phenomenon between mechanical loading and chemical reactions based on linear nonequilibrium thermodynamics and also discusses the classical method of obtaining restrictions on the phenomenological coefficients. The question whether static or dynamic loading influences biochemical processes is addressed-the necessity of dynamic loading as a stimulatory mechanism is shown. Further, the presented paper suggests that chemical and mechanical processes do not only facilitate or support one another but they may also play a triggering role for the other coupled process-some biochemical processes may need mechanical stimulation to run and vice versa as well-chemical reactions may provide energy for some mechanical processes. As an example, a detailed analysis of a model for controlled autocatalytic reproduction is presented, where the coupling effect, i.e. the influence of dynamic loading on reaction kinetics, is demonstrated.

No abstract