In the calculation of thermodynamic properties and three-dimensional structures of macromolecules, such as proteins, it is important to have an efficient algorithm for computing the solvent-accessible surface area of macromolecules. Here, we propose a new analytical method for this purpose. In the proposed algorithm we consider the transformation that maps the spherical circles formed by intersection of the atomic surfaces in three-dimensional space onto the circles on a two-dimensional plane, and the problem of computing the solvent-accessible surface area is reduced to the problem of computing the corresponding curve integrals on the plane. This allows to consider only the integrals along the circular trajectories on the plane. The algorithm is suitable for parallelization. Testings on many proteins as well as the comparison to the other analogous algorithms have shown that our method is accurate and efficient.
The main aim of this paper is to investigate, by means of comparison of experimental studies and mathematical models, the evolution of porosity as consequence of pressing, sintering and ECAPping an aluminium based powder (6xxx). After applying the compacting pressure, specimens were dewaxed in a ventilated furnace at 400• C for 60 min. Sintering was carried out in a vacuum furnace at 610• C for 30 min. The specimens were then ECAPed for 1 pass. The 2-dimensional quantitative image analysis was carried out by means of SEM and OM for the evaluation of the aforementioned characteristics. Results show the effect of processing parameters on the fracture/microstructure behaviour of the studied aluminium PM alloy. Quantitative image analysis, as well as fractographic interpretation and microstructure identification of weak sites in the studied aluminium PM alloy, provide a reliable and reproducible statistical procedure for the identification of the critical pore sizes.Keywords: aluminium alloy, ECAP, porosity, critical pore sizes, microstructure, fracture Głównym celem pracy jest badanie zmian porowatości podczas prasowania, spiekania i wyciskania przez kanał kątowy proszku na bazie aluminium (Ai-Mg-Si-Cu-Fe) za pomocą eksperymentu i symulacji numerycznych. Po przyłożeniu ciśnienia podczas zagęszczania usuwano lepiszcze z próbek w piecu w temperaturze 400• C przez 60 minut. Spiekanie prowadzono w piecu próżniowym w temperaturze 610• C przez 30 min. Próbki następnie były wyciskane przez kanał kątowy w jednym przejściu. Dwuwymiarową ilościową analizę obrazu przeprowadzono za pomocą skaningowej mikroskopii elektronowej i mikroskopii optycznej w celu oceny wyżej wymienionych właściwości. Wyniki opisują wpływ parametrów procesu na pęka-nie/mikrostrukturę badanego proszku stopu aluminium. Ilościowa analiza obrazu, jak również mikrostruktury w badanym stopie proszku aluminium zapewniają wiarygodne i statystycznie powtarzalne procedury dla identyfikacji miejsc inicjacji pękania.
Influence of SPD process realized by ECAP on structural formation and mechanical properties was searched. Samples after ECAP were heat treated at various temperature and time conditions. Investigation material bases were high purity aluminium and aluminium alloys EN AW 6082, EN AW 2014. The best material properties are describing in dependence on experimental conditions.
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