Article
Chemistry, Multidisciplinary
Allan Carlos S. Aguiar, William B. Veloso, Iranaldo S. da Silva, Auro A. Tanaka, Luiza Maria F. Dantas
Summary: Water disinfection processes may produce dangerous substances like 2,6-dichloro-1,4-benzoquinone (DCBQ) that can impact human health and the environment. Analytical methods are being developed to understand how DCBQ and its breakdown products interact with nucleic acids. Research shows that DCBQ has reversible properties in certain pH ranges and undergoes spontaneous degradation in solution. Experiments confirm the spontaneous decomposition of DCBQ in water, and its interactions with DNA do not lead to oxidative damage.
Article
Geography, Physical
Yuang Wu, Shuo Liu, Bowen Shu, Weichao Sun, Sheng Wang, Hongyang Zhang, Chenchen Chen
Summary: Outdoor aerosol processes are often associated with disasters and diseases, posing threats to human life and health. Simulating advection processes of outdoor aerosols is challenging due to variable wind speed, direction, and complex terrain conditions. In this study, an adaptive time step algorithm was designed for forward advection simulation, which showed improved accuracy, reduced computation time, and enhanced mass conservation compared to traditional methods.
INTERNATIONAL JOURNAL OF DIGITAL EARTH
(2023)
Article
Construction & Building Technology
Jose Eduardo Pachano, Carlos Fernandez Bandera
Summary: This paper focuses on reducing technical issues causing the energy performance gap and validates a calibration methodology on a real test site, resulting in a building energy model that meets international standards.
ENERGY AND BUILDINGS
(2021)
Article
Metallurgy & Metallurgical Engineering
Boyi Xie, Hui Xiao, Lin Chen, Weifeng Liu, Duchao Zhang, Tianzu Yang
Summary: The two-step simulation results showed that with increasing temperature, the distribution of Sb, As, and Cu in the speiss increased, while the distribution of Sb and Cu in the metal also increased with the separation temperature increasing.
MINING METALLURGY & EXPLORATION
(2021)
Article
Materials Science, Multidisciplinary
Sayan Basak, Juan Camilo Marin Angel, Kevin A. Cavicchi
Summary: Blending molecular crystals with a cross-linkable elastomer is a cost-effective and processing-friendly method to develop shape memory polymers (SMPs). In this study, a shape memory material composed of thermally cross-linked, octadecyl acrylate (ODA)-grafted polybutadiene (PB) and free octadecyl acrylate was prepared. By annealing a melt-processable blend of PB and ODA at high temperature (175 degrees C), a side-chain crystalline polymer and a cross-linked network were simultaneously formed. Materials with high shape fixity (>99%) and recovery (>99%) were obtained at ODA loadings of 0.66 ODA molecules: PB repeat unit (80 wt % ODA). Compared to previous peroxide cross-linked PB/ODA blends, higher shape recovery was achieved. Limited blooming of the free ODA was observed on stored samples and during shape memory cycling, indicating an improvement compared to other elastomer small molecule blends. The synthesis, structure, and physical properties of this blend system are discussed in this work.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Biophysics
Mohammad Sahil, Susmita Sarkar, Jagannath Mondal
Summary: Molecular dynamics (MD) simulations of biologically relevant processes are limited by computational cost. The hydrogen mass repartitioning (HMR) approach allows longer time step for simulation, but it does not necessarily improve the performance of protein-ligand recognition simulations.
BIOPHYSICAL JOURNAL
(2023)
Article
Engineering, Environmental
Takahiko Nakai, Koji Kosaka, Mari Asami, Michihiro Akiba
Summary: The fate of 2,6-dichloro-1,4-benzoquinone (DCBQ) precursors was evaluated during ozone/biological activated carbon treatment. Results showed that ozonation effectively removed DCBQ precursors.
OZONE-SCIENCE & ENGINEERING
(2022)
Article
Engineering, Chemical
Bashir Salah, Mohammed Alnahhal, Rafiq Ahmad
Summary: Automated storage and retrieval systems (AS/RS) are essential for improving the efficiency of manufacturing systems, warehouses, and distribution centers. This paper introduces an algorithm that minimizes the travel distance/time between input/output stations by reallocating storage compartments and tote bins. The algorithm's effectiveness is demonstrated through a simulation model.
Article
Automation & Control Systems
Jules Le Lay, Vincent Augusto, Edgar Alfonso-Lizarazo, Malek Masmoudi, Baptiste Gramont, Xiaolan Xie, Bienvenu Bongue, Thomas Celarier
Summary: This paper proposes a two-step approach based on process mining and discrete-event simulation to determine the size of a recovery unit for COVID-19 patients in a hospital. A decision aid framework is introduced to assist hospital managers in making important decisions, taking into account all units of the hospital. The impact of bed transfers on hospital admission pathways is evaluated using process mining and discrete-event simulation. The robustness of the approach is assessed through a practical case study in collaboration with a local hospital.
IEEE TRANSACTIONS ON AUTOMATION SCIENCE AND ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Yanchao Jiang, Yatong Zhu, Qichi Le, Qiyu Liao, Weiyang Zhou, Ping Wang, Tong Wang
Summary: This study simplifies the numerical model of back extrusion and proposes a truncated cone billet to improve the issues faced by magnesium alloy wheels formed by single-step back extrusion. The truncated cone billet increases effective strain, dynamic recrystallization volume fraction, and refines grains at the spokes and lower rim. It also improves the fluidity at the rim, making rim filling easier and reducing cracking at the upper rim. The use of truncated cone billets is of great significance for the back extrusion forming of magnesium alloy wheels.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Engineering, Chemical
Xiaomin You, Jingsong Wang, Xuefeng She, Zeyi Jiang, Qingguo Xue
Summary: The study establishes heat transfer and reaction models for the traditional and new calcium carbide production processes and compares their reactions through numerical simulations. The results show that the new process using pelletized raw materials produces a higher mass of CaC2 in the same time period, and a higher initial temperature can shorten the time for the pellets to reach the reaction temperature.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2022)
Article
Computer Science, Interdisciplinary Applications
Xu Li, Xiaokang Li, Yongkang Wu, Lizhou Wu, Zurun Yue
Summary: This study establishes the selection criteria for the mesh size and time step in FEM analysis of highly nonlinear unsaturated seepage processes, ensuring convergence of results. Through theoretical deduction and numerical experiments, critical mesh size and critical time step are defined and their prediction formulas are proposed. The reliability of the criteria is verified through analytical solutions, model tests, and engineering problems. The study provides recommended ranges for the mesh size and time step in engineering applications, allowing for the convergence of wetting front position and water content distribution.
COMPUTERS AND GEOTECHNICS
(2022)
Article
Materials Science, Multidisciplinary
Yongtai Chen, Mingxiang Yang, Jieqiong Hu, Jiming Zhang, Youcai Yang, Ming Xie
Summary: This study investigates the effects of semi-angle and platinum tube wall thicknesses on the first-step drawing process of platinum-clad nickel bars using finite element simulation. Different semi-angles of die and platinum tube wall thicknesses were selected, and their impacts on drawing force, cladding behavior and damage coefficients were discussed. The simulated results were validated with experimental results and found to be in good agreement. The findings of this study can serve as a reference for the production of platinum-clad nickel wires.
Article
Computer Science, Hardware & Architecture
Natalia Kalinnik, Robert Kiesel, Thomas Rauber, Marcel Richter, Gudula Ruenger
Summary: This article explores the possibilities of tuning methods for time-step-based applications, considering two different classes of applications: ordinary differential equations and particle simulation methods. The investigation includes a broad range of tuning possibilities from algorithm choice to hardware parameters, with a combination of offline and online tuning leading to good results.
JOURNAL OF SUPERCOMPUTING
(2021)
Article
Engineering, Chemical
Edgar N. Tec-Caamal, Refugio Rodriguez-Vazquez, Jan Weijma, Ricardo Aguilar-Lopez
Summary: Crystalline scorodite is considered a safe material for arsenic removal and disposal, especially in acidic wastewater. This study successfully analyzed the processes in a bioreactor for biogenic scorodite crystallization using mathematical modeling, showing high predictive capability based on experimental data. The research provides a promising solution for treating arsenic-contaminated acidic wastewater.
MINERALS ENGINEERING
(2021)