Considerable efforts are being made to transition current lithium-ion and sodium-ion batteries towards the use of solid-state electrolytes.Computational methods,specifically nudged elastic band(NEB)and molecular dynam...Considerable efforts are being made to transition current lithium-ion and sodium-ion batteries towards the use of solid-state electrolytes.Computational methods,specifically nudged elastic band(NEB)and molecular dynamics(MD)methods,provide powerful tools for the design of solid-state electrolytes.The MD method is usually the choice for studying the materials involving complex multiple diffusion paths or having disordered structures.However,it relies on simulations at temperatures much higher than working temperature.This paper studies the reliability of the MD method using the system of Na diffusion in MgO as a benchmark.We carefully study the convergence behavior of the MD method and demonstrate that total effective simulation time of 12 ns can converge the calculated diffusion barrier to about 0.01 eV.The calculated diffusion barrier is 0.31 eV from both methods.The diffusion coefficients at room temperature are 4.3×10^(-9) cm^(2)⋅s^(−1) and 2.2×10^(-9) cm^(2)⋅s^(−1),respectively,from the NEB and MD methods.Our results justify the reliability of the MD method,even though high temperature simulations have to be employed to overcome the limitation on simulation time.展开更多
The environmental impact of maritime transport has now become a relevant issue in sustainable policy formulation and has attracted increasing interest from academia.For the sustainable development of maritime transpor...The environmental impact of maritime transport has now become a relevant issue in sustainable policy formulation and has attracted increasing interest from academia.For the sustainable development of maritime transport,International Maritime Organization stipulates that the sulfur content of ship emissions will reach 0.5 from 2020.With the approaching of the stipulated implementation date,shipowners need to adopt scientific methods to make decision on low sulfur fuel.In this study,we applied a prospect theory based hesitant fuzzy multi-criteria decision-making model to obtain the optimal decision of low Sulphur marine fuel.For this purpose,the hesitant fuzzy decision matrix is established to collect expert opinions,the maximizing deviation method is adopted to determine criteria weights.According to calculate the Euclidean distance from the reference points,we obtain the comprehensive prospect values of alternatives.Lastly,a case study is carried out to illustrate the significance and effectiveness of the proposed methodology.The innovation of this study is that it is the first-time adopting prospect theory and hesitate fuzzy sets to multi-criteria decision making for low Sulphur marine fuel,which provides an effective decision model for shipping companies under Low Sulphur regulations,and can also be extended to other industries.展开更多
Based on the theory of planned behavior( TPB),Taking 399 livestock and poultry farms and households in Shandong Province as samples,risk cognitive variables were introduced. Besides,with the aid of the structural equa...Based on the theory of planned behavior( TPB),Taking 399 livestock and poultry farms and households in Shandong Province as samples,risk cognitive variables were introduced. Besides,with the aid of the structural equation model( SEM) and partial least squares method( PLS),through an empirical analysis on antibiotic prophylactic behavior of livestock and poultry breeding farms and households in the context of " antibiotic free" production,the response mechanism of " antibiotic free" production was explored. Results indicated that the use of antibiotic prophylaxis by livestock and poultry farms and households is still very common. In the observation samples,61. 4% clearly expressed they would use antibiotic prophylaxis; the understanding of hazard of improper antibiotic prophylaxis was inadequate,only 32. 3% breeding households believed that the overuse of antibiotic prophylaxis is the main reason leading to excessive drug residue in animal products. This study was in line with the process of deduction of TPB. The breeding households' reduction of antibiotic prophylaxis is influenced by their intentions,while the intention is influenced by the attitude,subjective norms and perceptual behavior control; different risks have different influences,but most risks have greater influence on perceptual behavior control,because the perceptual behavior control determines whether breeding households have the ability of implementing the corresponding behavior.展开更多
Objective: As a needs assessment for intervention, quantitative and qualitative methods were used to examine attitude, subjective norms, perceived behavioral control, intention, knowledge, and weight control status re...Objective: As a needs assessment for intervention, quantitative and qualitative methods were used to examine attitude, subjective norms, perceived behavioral control, intention, knowledge, and weight control status related to physical activity in female university students within the Theory of Planned Behavior (TPB). Methods: A two-phase mixed method design was used. In Phase I, 362 students participated in an online survey, and in Phase II, 33 students participated in five focus group discussions. Ages of participants ranged from 18 to 45 years old, with 18 - 25 year olds making up over 74% of the sample. Results: Attitude, subjective norms, and perceived behavioral control, along with weight control status of trying to lose weight, were found to be significant predictors of intention to follow physical activity recommendations, which in turn were the strongest predictor of physical activity. Knowledge was not found to be significant. Group discussions revealed barriers to meeting physical activity recommendations, which included lack of companionship and social support, lack of motivation, time and cost restrictions, and lack of privacy in the gym. Social norms exerted both positive and negative influences. Conclusion: The mixed method approach provided a deeper insight into the influential factors pertaining to physical activity among female students, and results could be used in further research to develop effective interventions.展开更多
基金supported by the National Natural Science Foundation of China (Grant Nos.12164019,11991060,12088101,and U1930402)the Natural Science Foundation of Jiangxi Province of China (Grant No.20212BAB201017).
文摘Considerable efforts are being made to transition current lithium-ion and sodium-ion batteries towards the use of solid-state electrolytes.Computational methods,specifically nudged elastic band(NEB)and molecular dynamics(MD)methods,provide powerful tools for the design of solid-state electrolytes.The MD method is usually the choice for studying the materials involving complex multiple diffusion paths or having disordered structures.However,it relies on simulations at temperatures much higher than working temperature.This paper studies the reliability of the MD method using the system of Na diffusion in MgO as a benchmark.We carefully study the convergence behavior of the MD method and demonstrate that total effective simulation time of 12 ns can converge the calculated diffusion barrier to about 0.01 eV.The calculated diffusion barrier is 0.31 eV from both methods.The diffusion coefficients at room temperature are 4.3×10^(-9) cm^(2)⋅s^(−1) and 2.2×10^(-9) cm^(2)⋅s^(−1),respectively,from the NEB and MD methods.Our results justify the reliability of the MD method,even though high temperature simulations have to be employed to overcome the limitation on simulation time.
文摘The environmental impact of maritime transport has now become a relevant issue in sustainable policy formulation and has attracted increasing interest from academia.For the sustainable development of maritime transport,International Maritime Organization stipulates that the sulfur content of ship emissions will reach 0.5 from 2020.With the approaching of the stipulated implementation date,shipowners need to adopt scientific methods to make decision on low sulfur fuel.In this study,we applied a prospect theory based hesitant fuzzy multi-criteria decision-making model to obtain the optimal decision of low Sulphur marine fuel.For this purpose,the hesitant fuzzy decision matrix is established to collect expert opinions,the maximizing deviation method is adopted to determine criteria weights.According to calculate the Euclidean distance from the reference points,we obtain the comprehensive prospect values of alternatives.Lastly,a case study is carried out to illustrate the significance and effectiveness of the proposed methodology.The innovation of this study is that it is the first-time adopting prospect theory and hesitate fuzzy sets to multi-criteria decision making for low Sulphur marine fuel,which provides an effective decision model for shipping companies under Low Sulphur regulations,and can also be extended to other industries.
文摘Based on the theory of planned behavior( TPB),Taking 399 livestock and poultry farms and households in Shandong Province as samples,risk cognitive variables were introduced. Besides,with the aid of the structural equation model( SEM) and partial least squares method( PLS),through an empirical analysis on antibiotic prophylactic behavior of livestock and poultry breeding farms and households in the context of " antibiotic free" production,the response mechanism of " antibiotic free" production was explored. Results indicated that the use of antibiotic prophylaxis by livestock and poultry farms and households is still very common. In the observation samples,61. 4% clearly expressed they would use antibiotic prophylaxis; the understanding of hazard of improper antibiotic prophylaxis was inadequate,only 32. 3% breeding households believed that the overuse of antibiotic prophylaxis is the main reason leading to excessive drug residue in animal products. This study was in line with the process of deduction of TPB. The breeding households' reduction of antibiotic prophylaxis is influenced by their intentions,while the intention is influenced by the attitude,subjective norms and perceptual behavior control; different risks have different influences,but most risks have greater influence on perceptual behavior control,because the perceptual behavior control determines whether breeding households have the ability of implementing the corresponding behavior.
文摘Objective: As a needs assessment for intervention, quantitative and qualitative methods were used to examine attitude, subjective norms, perceived behavioral control, intention, knowledge, and weight control status related to physical activity in female university students within the Theory of Planned Behavior (TPB). Methods: A two-phase mixed method design was used. In Phase I, 362 students participated in an online survey, and in Phase II, 33 students participated in five focus group discussions. Ages of participants ranged from 18 to 45 years old, with 18 - 25 year olds making up over 74% of the sample. Results: Attitude, subjective norms, and perceived behavioral control, along with weight control status of trying to lose weight, were found to be significant predictors of intention to follow physical activity recommendations, which in turn were the strongest predictor of physical activity. Knowledge was not found to be significant. Group discussions revealed barriers to meeting physical activity recommendations, which included lack of companionship and social support, lack of motivation, time and cost restrictions, and lack of privacy in the gym. Social norms exerted both positive and negative influences. Conclusion: The mixed method approach provided a deeper insight into the influential factors pertaining to physical activity among female students, and results could be used in further research to develop effective interventions.
