A Molecular Dynamics Study on the Defect Formation and Mechanical Behavior of Molybdenum Disulfide under Irradiation.

Due to its appealing characteristics, molybdenum disulfide (MoS2) presents a promising avenue for the exploration of lubrication protection materials in high-energy irradiation scenarios. Herein, we present a comprehensive investigation into the defect behavior of multilayer MoS2 under argon (Ar) atom irradiation leveraging molecular dynamics simulations. We have demonstrated the energy shifts and structural evolution in MoS2 upon irradiation, including the emergence of Frenkel defects and intricate defect clusters. The structural damage exhibits an initial increase followed by a subsequent decrease as the incident kinetic energy increases, ultimately peaking at 2.5 keV. Moreover, we investigated the effect of postannealing on defect recovery and conducted the uniaxial tensile and interlayer shearing simulation in order to provide valuable insights for the defect evolution and its impact on mechanical and tribological properties. Furthermore, we have proposed the optimal annealing temperature. The current study reveals the atomic mechanisms underlying irradiation-induced damage on the structural integrity and mechanical performance of MoS2, thereby providing crucial guidance for its vital application in nuclear reactors and aerospace industries.

Risk factors for sub-therapeutic serum concentrations of magnesium sulfate in severe preeclampsia of Chinese patients.

BACKGROUND: Magnesium sulfate (MgSO4) is the standard drug for eclampsia prophylaxis and treatment. In China, the effective therapeutic serum magnesium level is 1.8-3.0 mmol/L. There is little information on how to achieve and maintain effective therapeutic concentrations. This study aimed to investigate risk factors for sub-therapeutic serum concentrations of MgSO4 in patients with severe preeclampsia. METHODS: Patients with severe preeclampsia who received MgSO4 intravenous infusion were retrospectively reviewed. The maternal demographic characteristics, regimens for the administration of MgSO4, and lab test results of patients were collected. Multivariate logistic regression analysis and receiver operating characteristic (ROC) curve analysis were conducted for the risk factors influencing the serum magnesium concentration. RESULTS: A total of 93 patients with severe preeclampsia were included in the study. 52 (55.91%) patients did not attain therapeutic serum magnesium levels. A multivariate logistic regression analysis identified creatinine clearance (Ccr), whether the loading dose was given, and measurement time of serum magnesium concentration (referring to the time from start of MgSO4 infusion to blood draw for serum sampling) as independent risk factors for sub-therapeutic serum magnesium concentration (P < 0.05). ROC curve analysis indicated that the continuous variable Ccr had a significant predictive value for the serum magnesium concentration, which resulted in a cutoff point of 133 mL/min; while measurement time had limited predictive value, with cutoff point of 2.375 h. CONCLUSIONS: Ccr, whether the loading dose was given, and measurement time were independent risk factors for sub-therapeutic serum magnesium concentration. A loading dose of MgSO4 everytime before the maintenance dose, as well as the duration of MgSO4 maintenance dose of more than 2.375 h are recommended for all the patients with severe PE. Routine evaluation of serum magnesium levels is a recommended practice for women with severe PE and whose Ccr is ≥133 mL/min.

Growth and characteristics of self-assembled MoS2/Mo-S-C nanoperiod multilayers for enhanced tribological performance.

Highly ordered MoS2/Mo-S-C nanoperiod multilayers are synthesized by a novel self-assembling mechanism in simultaneous sputtering of MoS2 and graphite targets. The sequential formation of MoS2-riched domain layers and Mo-S-C compositional mixed capping layers reveals no correspondence to the sample stage rotation but is caused by the low energy ion bombardment enhanced interdiffusion. The HRTEM observation shows that the phase segregation normal to the film surface is initiated from substrate-film interlayer with clear contrasts in the first few bi-layers, and then diffuses mutually in a quasiperiodic pattern between two altered sub-layers. Compared with sputtered MoS2 film, the bulk film of multilayers exhibit largely improved toughness under a normal load, and the preferential orientation of sputtered MoS2 in (002) basal planes is significantly enhanced, both of which render the film excellent loads-bearing capacity and lubricant properties. The nano-scratching tests performed on a nanoindentation system suggest that the nano-tribological performance of multilayers is directly determined by the altered structure and properties of neighboring sub-layers until stable tribofilms are formed. Meanwhile, the pin-on-disk tribotests in ambient air, low vacuum and high vacuum provide comparably low friction coefficient yet distinct wear lives in different atmospheres due to the partially restricted humid-sensitivity of sputtered MoS2 phase.