Study the effects of factors on the structure and phase transition of bulk Ag by molecular dynamics method

Trong, Dung Nguyen; Chinh, Cuong Nguyen; Van, Duong Quoc; Quoc, Tuan Tran

doi:10.1142/s2047684120500165

“…OU equal-length non-coding RNA MALAT1 promotes the development of gestational hypertension by regulating the miR-150 ‐5p/ET‐1 axis to enhance oxidative stress and inflammation [ 8 ]. Low vitamin D intake should be considered as a possible risk factor for PIH [ 9 ]. Li et al conducted a nested case-control study to examine the relationship between circulating SFA and risk of PIH [ 10 ].…”

Section: Introductionmentioning

confidence: 99%

Study on the Clinical Characteristics and Treatment of Obstetric Hypertension with Sequence Pattern Mining Algorithm

Li

¹

2021

Journal of Healthcare Engineering

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Aiming at the difficulty in setting the support threshold for sequential pattern mining algorithms and improving the effectiveness of the support threshold setting without the guidance of domain experts’ experience, an improved SPADE (sequential pattern discovery using equivalence classes) algorithm is proposed. By analyzing the relationship between the number of frequent sequences and the support threshold, the support threshold is dynamically selected. Using the electronic medical record data from a medical centre, the time-series relationship of the drugs taken by hypertension patients was extracted as the drug sequence dataset. By determining the optimal support threshold of the dataset, the frequent sequence set is mined, and the sequence rules are generated from the obtained regular sequences to visualize the sequence rules. The sequence rules of medication for hypertensive patients were combined with the patients’ physical indicators for the recommendation. For patients with obstetric hypertension, a combination of nifedipine and captopril is recommended. Through the comparison of the observation group and control group, we study the curative effect of various drugs. The results showed that the total effective rate of the observation group was about 96.6%; compared with the control group, the result indicated that the difference was significant ( P < 0.05). The comparison of blood pressure levels between the two groups after treatment also showed that the results of the observation group were ideal ( P < 0.05). In addition, the incidence of postpartum haemorrhage and perinatal complications in the observation group was also significantly reduced ( P < 0.05). Therefore, the combination of medication for pregnancy hypertension syndrome can effectively improve the treatment effect of the disease and reduce the rate of postpartum haemorrhage and the incidence of perinatal complications.

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“…Nowadays, metals, alloys in general and low carbon steel (LCS) in particular, are the most common material widely used in all areas of economic and social life. Metals such as Ni, 1 , 2 Fe, 3 − 5 Al, 6 , 7 and Ag; 8 alloys such as FeCoNi, 9 CuAu, 10 Fe 2 O 3 , 11 AgAu, 12 FeC, 13 AlNi, 14 AuCu, 15 NiCu, 16 − 18 and NiFe; 19 , 20 nonmetallic polymers; 21 , 22 and polymer–metals 23 have good properties such as durability, fire protection, and good electrical conductivity. When metal or nonmetallic dopants are introduced into polymers, their conductivity increases.…”

Section: Introductionmentioning

confidence: 99%

“…Nowadays, metals, alloys in general and low carbon steel (LCS) in particular, are the most common material widely used in all areas of economic and social life. Metals such as Ni, , Fe, − Al, , and Ag; alloys such as FeCoNi, CuAu, Fe 2 O 3 , AgAu, FeC, AlNi, AuCu, NiCu, − and NiFe; , nonmetallic polymers; , and polymer–metals have good properties such as durability, fire protection, and good electrical conductivity. When metal or nonmetallic dopants are introduced into polymers, their conductivity increases. − Their highest disadvantage is that they can oxidize or corrode when they are exposed to the environment as microbial corrosion in petroleum and industrial wastewater, , the biodegradation of hydrocarbons, and the methanol extract from marine algae inhibit the corrosion ability of steel in sodium chloride medium .…”

Section: Introductionmentioning

confidence: 99%

Synthesis and Characterization of Polypyrrole Film Doped with Both Molybdate and Salicylate and Its Application in the Corrosion Protection for Low Carbon Steel

Trung

¹

,

Hùng

²

,

Khoe

³

et al. 2022

Self Cite

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Polypyrrole (PPy) films doped with molybdate and salicylate have been successfully electropolymerized on low carbon steel in aqueous solutions containing both molybdate and salicylate in a one-step process that did not require any pre-treatment of the steel substrate. Salicylate-doped PPy films were synthesized in the same way for comparison. The steel surface was rapidly inhibited and the PPy-based films were formed on it easily. The PPy-based films were characterized by Fourier transform infrared, scanning electron microscopy, energy dispersive X-ray, and thermal gravimetric analysis methods. The corrosion protection performance of the coatings was investigated with electrochemical impedance spectroscopy, open circuit potential (OCP), salt spray test, and Tafel polarization. It was found that in the presence of both molybdate and salicylate as dopants, the films on steel could present a better corrosion resistance than PPy film doped with only salicylate. The self-healing property of PPy-based films was observed on the OCP measurement with the fluctuation of rest potential. The salt spray test results showed that the PPy film doped with both salicylate and molybdate was more salt-resistant than the PPy film doped with only salicylate. The results suggest that the PPy coatings doped with both molybdate and salicylate are potential for application as metallic anti-corrosion coatings.

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“…The other five-membered ring molecules and ionization energies (IEs) and the heats of formation of thiophene were calculated and reached a high precision level of ab initio predictions [ 46 ]. Recently, the team members also studied the factors affecting the structural, mechanical, and magnetic properties of metal Fe [ 47 , 48 ], Al [ 49–51 ], Ni [ 52–54 ], Ag [ 55 ], alloys AlNi [ 56 ], NiCu [ 57 , 58 ], FeNi [ 59 , 60 ], AgAu [ 61 ], NiAu [ 62 ], and replace the H derivatives of poly C 13 H 8 OS-H with metal atoms Br, Cu, Kr, Ge, As, Fe [ 63 ] showed that the E g band gap decreased, leading to an increase in the conductivity. The obtained results will contribute to research to find materials new for application in the industrial age.…”

Section: Introductionmentioning

confidence: 99%

DFT study on some polythiophenes containing benzo[d]thiazole and benzo[d]oxazole: structure and band gap

Quoc

¹

,

Ba

²

,

Thuy

³

et al. 2021

Designed Monomers and Polymers

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The content of this paper focuses/shed light on the effects of X (X = S in P1 and X = O in P2) in C 11 H 7 NSX and R (R = H in P3, R = OCH 3 in P4, and R = Cl in P5) in C 18 H 9 ON 2 S 2 -R on structural features and band gaps of the polythiophenes containing benzo[ d ]thiazole and benzo[ d ]oxazole by the Density Function Theory (DFT) method/calculation. The structural features including the electronic structure lattice constant (a), shape, total energy (E tot ) per cell, and link length (r), are measured via band gap (E g ) prediction with the package of country density (PDOS) and total country density (DOS) of material studio software. The results obtained showed that the link angle and the link length between atoms were not changed significantly while the E tot was decreased from E tot = – 1904 eV (in P1) to E tot = – 2548 eV (in P2) when replacing O with S; and the E tot of P3 was decreased from E tot = – 3348 eV (in P3) when replacing OCH 3 , Cl on H of P3 corresponding to E tot = – 3575 eV (P4), – 4264 eV (P5). Similarly, when replacing O in P1 with – S to form P2, the E g of P1 was dropped from E g = 0.621 eV to E g = 0.239 eV for P2. The E g of P3, P4, and P5 is E g = 0.006 eV, 0.064 eV, and 0.0645 eV, respectively. When a benzo[ d ]thiazole was added in P1 (changing into P3), the E g was extremely strongly decreased, nearly 100 times (from E g = 0.621 eV to E g = 0.006 eV). The obtained results serve as a basis for future experimental work and used to fabricate smart electronic device.

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Study the effects of factors on the structure and phase transition of bulk Ag by molecular dynamics method

Cited by 6 publications

References 34 publications

Study on the Clinical Characteristics and Treatment of Obstetric Hypertension with Sequence Pattern Mining Algorithm

Study on the Clinical Characteristics and Treatment of Obstetric Hypertension with Sequence Pattern Mining Algorithm

Synthesis and Characterization of Polypyrrole Film Doped with Both Molybdate and Salicylate and Its Application in the Corrosion Protection for Low Carbon Steel

DFT study on some polythiophenes containing benzo[d]thiazole and benzo[d]oxazole: structure and band gap

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