Theoretical calculation

In this paper, we propose an algorithm to discretize the n-th order derivative with high-order accuracy. Theoretical results and experimental calculations have confirmed the accuracy of the algorithm.

9p viling 11-10-2024 2 0   Download

The composite girder, which combines a steel beam with an ultra-highperformance concrete (UHPC) slab, has gained significant attention in recent years as a new type of bridge structure. However, accurately estimating the bending capacity of such girders remains a challenge, as practical methods are limited. In this article, the authors propose a theoretical approach based on the Euler-Bernoulli beam theory to determine the bending capacity of composite girders.

10p vibecca 01-10-2024 2 2   Download

One new sesquiterpene, (4S,7R,10S)-2-oxo-4,10,11-trihydroxyguaia-1(5)-ene, and five lignans, kadsuralignan J, isovaleroylbinankadsurin A, schizandrin O, futokakadsurin C and arisantetralone were isolated from the roots of Kadsura induta. Their chemical structures were revealed by MS, 1D and 2D NMR spectra in comparison with the reported data. The absolute configuration of compound 1 was determined by calculation of its theoretical ECD spectra and compared with the experimental results.

9p dianmotminh02 03-05-2024 9 3   Download

The sausage feeder takes an important role in automatic packaging systems. This paper presents the theoretical calculation, kinematic characteristics of an automatic sausage feeder using vibration technique and crank mechanism. The kinematics formulation of the crank mechanism is done using vector loop method and cosine rule are applied to describe the position of the mechanisms. Velocity of crank and connecting rod is performed by differentiating the position in terms of following crank angle and connecting rod angle respectively.

7p vidoctorstrange 06-05-2023 5 3   Download

Target of thesis: To develop a method that can simplify the determination of the thermodynamic parameters and XAFS spectra which base on the second-order cumulant only. In particular, this method can be applied for both theoretical calculations and experimental measurements in the XAFS method.

27p extraenglish 24-05-2021 31 5   Download

Resolve the neutrino mass problem. Parameterize the parameters in the model 3−2−3−1 to seek for dark matter for each version of the model with q=0 and q=−1. Research for Z1 and Z01 at LEPII and LHC. Survey in detail the mass of gauge bosons, Higgs bosons, flavor-changing neutral current in the model 3−3−3−1 and calculate the branch ratio of the decay process mu - ey, u - 3e in the model.

25p larachdumlanat129 20-01-2021 18 4   Download

Using ab-initio calculations at the MP2/6-311G(3df, 2pd), a very high level theory, we obtained minimum energy structures for the C2H5O radical, products and transition states of reactions on the potential energy surface.

7p tamynhan9 02-12-2020 17 1   Download

The structural calculations such as band structure, density of states and optical properties were carried out under the framework of the Density Functional Theory (DFT). A theoretical analysis by computer simulation is expected to clarify the doping effects in detail and compare well with experimental results.

7p tamynhan9 02-12-2020 14 2   Download

Numerical calculations of the quantities were performed for Fe and W thin films and found to be in good and reasonable agreement with other theoretical results and experimental data. This research proves that thermal expansion coefficients of thin films approach the values of bulk when thin film is about 70 nm thick.

10p tamynhan9 02-12-2020 18 1   Download

The α - β (fcc-hcp) phase transition temperature under pressure can be investigated theoretically by combining the self-consistent field method and the statistical moment method and only the statistical moment method which was developed by the authors. Theoretical results are applied to N2 and CO molecular cryocrystals and our calculated results are compared with the experimental data and other calculations.

8p tamynhan8 04-11-2020 13 1   Download

The optical properties of protein-conjugated metallic nanoparticle are theoretically investigated based on the Mie theory and the core-shell model. Our numerical calculations show that this finding is in good agreement with previous experiments. We provide better interpretation for the origin of optical peaks in the absorption spectrum of the nanoparticle complex system. Our results can be used in biomedical applications.

6p koxih_kothogmih5 04-09-2020 49 1   Download

To develop a method that can simplify the determination of the thermodynamic parameters and XAFS spectra which base on the second-order cumulant only. In particular, this method can be applied for both theoretical calculations and experimental measurements in the XAFS method.

27p trinhthamhodang7 27-08-2020 34 3   Download

Theoretical a-decay half-lives of some nuclei from ground state to ground state are calculated using different nuclear potential model including Coulomb proximity potential (CPPM), Royer proximity potential and Broglia and Winther 1991. The calculated values comparing with experimental data, it is observed that the CPPM model is in good agreement with the experimental data.

6p christabelhuynh 29-05-2020 13 0   Download

Development of optimized pediatric formulations for oral administration can be challenging, time consuming, and financially intensive process. Since its inception, the biopharmaceutical classification system (BCS) has facilitated the development of oral drug formulations destined for adults. At least theoretically, the BCS principles are applied also to pediatrics. A comprehensive age-appropriate BCS has not been fully developed.

9p caothientrangnguyen 09-05-2020 36 3   Download

In this study, we report the vibrational infrared spectra of most stable SinMn2+ clusters (n=5–9) using density functional theory calculations. An attempt has been made to theoretically construct infrared spectra of the investigated clusters in case of more than one stable isomers coexisting. The finding results would serve as fringerprints for further structural identification of interested clusters.

8p abcxyz123_02 03-03-2020 26 3   Download

The far-field vertical displacements are compared with calculations obtained by the boundary element method (BEM) for circular, rectangular, triangular and arbitrary-shaped defects. Comparisons between the theoretical and BEM results, which are graphically displayed, are in excellent agreement. It is also discussed the limitations of the proposed approximate theory.

9p elandorr 05-12-2019 18 3   Download

Research targets of the thesis: (i) To thereticallystudy the overall characteristics of MIH and their impacts based on theoretical calculation (ii) To carry out experiments on the influence of alternating magnetic field, particle size and viscosity on specific loss power for CoFe2O4 and MnFe2O4, chosen as representative of respectively high K and low K magnetic nanoparticles; and to compare the experimental behavior with that obtained by theroretical calculations.

23p xacxuoc4321 08-07-2019 55 3   Download

The theoretical results for the EC are numerically evaluated, plotted and discussed for a specific RQWIP GaAs/GaAsAL. We also compared received EC with those for normal bulk semiconductors and quamtum wells to show the difference. The Ettingshausen effect in a RQWIP in the presence of an EMW is newly developed.

7p truongtien_09 08-04-2018 28 1   Download

5A, 4A and 3A zeolites were successfully prepared using solid seeds at pilot scale. The adsorption properties of 5A, 4A and 3A zeolites were determined by adsorption isotherm method. The results showed that water adsorption capacity and rate of 5A and 4A zeolites were higher than those of 3A zeolite. Even at low vapor pressure of water of 4 mmHg, adsorption capacity of 5A, 4A and 3A zeolites also reached about 23%, 22% and 17%, respectively, and was much higher than that of silicagel (5%).

5p uocvong03 24-09-2015 89 7   Download

A back -propagation artificial neural net has been trained to estimate the activity values of a set of 18 N-alkyl-N-acyl- -aminoamide derivatives from the results of molecular mechanics and RHF/PM3/SCF MO semi-empirical calculations. The input descriptors include molecular properties such as the partition coefficient P, 3d structure dependent parameters, charge dependent parameters, and topological descriptors.

7p uocvongxua10 18-09-2015 33 4   Download