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Quantum theory provides the essential foundation for the understanding of the properties of electrons in atoms and molecules.
For intermolecular interaction, many factors were being considered in the calculation of the energy.
In practice, we have to rely on an approximate exchange-correlation (xc) functionals to assist the calculation of quantum mechanical formulation in Kohn–Sham density functional theory.
So that in this study we were checking out whether it affects the dihedral of peptides that interact with these metal ions.
However, as noted in the introduction, these small changes can still affect the conformational changes in the peptide globally and the long sequence will affect the 3D conformation so that it may make a little change to the function of the peptide itself.

Two different mechanical paramter of soil body is adopted respectively in the simulation for better understanding of the mechanism of action of the squeezed branch pile, mechanical parameter of the pile body and soil body are shown in Table.1.
Tab.1 Material properties material Parameter index Parameter Pile body capacity(KN/m3) 25 Elastic modulus(Mpa) 20000 Poisson ratio 0.3 Soil body capacity(KN/m3) 20 Elastic model (Mpa) 5(10) Poisson ratio 0.45 Cohesive strength(KN/m2) 20(50) Internal friction angle（degree） 0 Result analysis Axial compression.
As calculating the settlement of the pile by layer wise summation method, the main factor is compressive compression, so from this aspect the usage of squeezed branch can reduce the settlement of the pile effectively.
The larger of the loads applied at the tip of the pile, the larger the range affected by vertical displacement.

Musa1, d 1Faculty of Mechanical Engineering, Universiti Teknikal Malaysia Melaka, Hang Tuah Jaya, 76100 Durian Tunggal, Melaka, Malaysia. 2Department of Chemistry, Bandung Institute of Technology, Jl.
Thus, the microstructure modifications, known as surface defects of the alloy caused by cold rolling process may affect the corrosion behavior of the steel.
This was attributed that in nearly neutral solution (pH = 7.31), the formation of the stable passive film (with high Cr2O3 content) plays a predominant factor which contribute to decrease metal dissolution.
Cold Deformation Effect on the Microstructures and Mechanical Properties of AISI 301LN and 316L Stainless Steels.

They are round-like precipitates, with an average diameter in the range of 3 to 10 µm, light-gray, with a relatively homogeneous distribution, but frequently found in groups of elongated particles, suggesting that the larger particles have been fragmented during mechanical working.
They look like round particles, partially faceted, with an average diameter in the range of 2 to 5 µm, red-gray colored, with a non-homogenous distribution, in groups of elongated particles, and like titanium carbide, suggesting fragmentation of larger particles during mechanical working.
The results of this work are in agreement with the work by Da Casa and Nileshwar [7], that verified that solution annealing heat treatments during 1 to 6 h performed on an AISI 321 steel between 1200 and 1350 °C did not affect the amount of the Y phase.
Mater., Thermal creep properties of Ti-stabilized DIN 1.4970 (15-15Ti) austenitic stainless steel pressurized cladding tubes, 493 (2017) 154-167
A, The temperature factor parameters of some transition metal carbides and nitrides by single crystal X-ray and neutron diffraction, 32 (1978) 89-90

At the high-temperature environment, both of the mechanical properties and the lifetime of the composites degrade.
Hence the temperature effect is one of the major factors to the bubble formation.
Also, it induces the coarsening of helium bubbles to but decreasing the number density. 3) The excess Si2+ ions may form interstitials and recombine with vacancy clusters, and therefore affect the growth of helium bubbles.

Introduction Polymer rheology which is under stress is produced by elastic,plastic and viscous deformation behavior,it is the relationship with the various factors in the basic polymer forming process parameters,selection and use of raw materials,the best forming process conditions,molding equipment,mold design and improving the quality of products has an important role.Therefore, the relationship between blends rheological-morphology-performance on the preparation of high-performance material blends has a very important role[1].In the rheological properties of polymer materials,the polymer melt viscosity is the most important measure of the flow behavior [2].Because low viscosity resin, then the product will increase the hardness,if hardness increases too larger can lead to products larger brittleness and toughness decreases.At the same time the resin viscosity drops to a certain extent, products will be vulnerable by external forces, leaving the role of stress and others to cost products
viscosity model Most plastic melt is a non-Newtonian fluid,non-Newtonian fluids generally realized as "shear thinning" flow characteristics,namely,the melt shear viscosity increases as shear rate decreased.The accuracy of the viscosity directly affect the injection rate,pressure and time,related to the accuracy of the results of CAE software analysis.Therefore,the viscosity become the most important measure, which is characterized the melt to resist external forces bring in the melt flow and deformation capacity[5].There are three of viscosity model with a representative present:Power law model,Cross-Exp viscosity model,Cross-WLF viscosity equation.
[5] Bingyan Jiang,Jingjing Xu,Lei Xie.Mechanical Science and Technology.

In addition, it can be performed in-situ during thermal, and thermo-mechanical treatments.
The context is the study of age-forming process, where combining a forming operation with ageing of the material can drastically reduce the amount of internal stress in the formed part, which is then beneficial for properties such as fatigue resistance and dimensional stability.
It is shown to be larger by a factor of about 6-7 as compared to an un-strained sample aged at the same temperature.
SPD has been shown before to affect strongly precipitation in many ways, but there is a lack of quantitative data on this subject, due to the difficulty to characterize precipitates in a SPD microstructure.
This acceleration factor can therefore be considered to be the one linked to pipe diffusion at the dislocations in this case of dislocation density and temperature.

With an increasing bending radius of the rebar, this factor naturally decreases.
This factor results in higher deformations of the element and additional loading of the rebar due to bending moments.
The results confirm the findings from the experimental part of the research, which assert that the anchoring length chosen as 12 times the diameter of the rebar is sufficient and that its increase no longer significantly affects the rebar's tensile strength.
[4] Lagiň, J., Prokeš, J., Girgle, F., Kostiha, V., Vašátko, D., Bezděk, O., Sedláček, O., Štěpánek, P. (2023), The effect of the bent of FRP rebar on its short-term mechanical properties; https://doi.org/DOI:10.1088/1742-6596/2568/1/012006 [5] America Committee Institute. (2012).

They indicate the presence of strong microstresses [1] which can seriously affect properties like stress-corrosion cracking and fatigue resistance.
Therefore, the d-values obtained from the stress values experimentally determined were weighted a factor hklE 1 .
The dislocation density was assumed to enhance the elastic strains, whereas mechanical twinning should weaken the elastic strains. 0.2 0.4 0.6 0.8 1.0 1.2 1.4 0.0 0.2 0.4 0.6 0.8 3.693 3.694 3.695 3.696 3.697 Experiment Lattice parameter a [A] sin 2ψψψψ Simulation Lattice parameter, model [a.u.] 0.7 0.8 0.9 1.0 1.1 1.2 1.3 0.0 0.2 0.4 0.6 0.8 3.6940 3.6944 3.6948 3.6952 Experimente Lattice parameter a [A] sin 2ψψψψ Simulation Lattice parameter a, model [a.u.]
Conclusions Texture, elastic anisotropy, the presence of differently deformed crystallite groups and mechanical twinning were considered to explain non-linearties of sin 2ψ-plots at different deformation stages.

Structural and corresponding dynamic properties of the support structures have considerable effect on the response of the disconnect switches.
In that regard, HS, which allows representation of the support structures with well-defined material and geometrical properties as analytical substructures, comes forward as a cost-effective and efficient testing method alternative to the conventional shaking table testing of these switches.
Proper implementation of the HS algorithm and the measurements used in the algorithm are verified by comparing the RTHS runs conducted for the same set of analytical substructure properties with different scales of the input excitation.
Identical stiffness and mass properties of the insulators tested with the RTHS and the shaking table and resemblance of the boundary conditions at the base of the insulators are confirmed from the similar natural frequencies identified for the insulators from both tests.
Considering that the local response measured by a strain gage is affected by factors such as gage location and orientation, local impurities at the location where the gage is installed, etc., it is judged that the two pairs of strain gage histories in Fig. 26, with close match of peaks, are reasonably comparable.