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Driving force of crystallisation based on diffusion in the boundary and the integration layers
摘要： Crystal growth rates are notoriously difficult to predict and even experimental data are often inconsistent. By allowing for mass and energy diffusion through the molecular and thermal layers surrounding a growing crystal and for the heat effect of crystallization, a new model of crystal growth from solution is proposed and applied to crystallization of potassium chloride from aqueous solution. The driving force for crystal growth was calculated using the solubility at the interface temperature in contrast to the conventional one based on bulk temperature. A positive heat effect at the crystal interface as well as the resistances to the mass and energy transfer processes to and from the crystal surface can reduce the conventional driving force for crystal growth by more than 20%.
关键词： Crystal growth rate,Boundary layer,Driving force,Mathematical modelling,Integration (Desolvation) layer
更新于2025-09-23 15:22:29
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Small bandgap non-fullerene acceptor enables efficient PTB7-Th solar cell with near 0 eV HOMO offset
摘要： Three small bandgap non-fullerene (SBG NFAs) acceptors, BDTI, BDTI-2F and BDTI-4F, based on a carbon-oxygen bridged central core and thieno[3,4-b]thiophene linker, end-capped with varied electron-withdrawing terminal groups, were designed and synthesized. The acceptors exhibit strong absorption from 600 nm to 1000 nm. The optimal device incorporating designed NFA and PTB7-Th polymer donor achieves a power conversion efficiency of 9.11% with near 0 eV HOMO offset. The work presents a case study of efficient non-fullerene solar cells with small HOMO offsets, which is achieved by blending PTB7-Th with fine-tuned SBG acceptor.
关键词： Organic solar cells,Driving force,HOMO offset,Non-fullerene acceptors,Small bandgap
更新于2025-09-23 15:21:01
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Analysis of surface tension driven flow and solidification behavior in laser linear welding of stainless steel
摘要： A transient three-dimensional thermal-?uid-metallurgy model was proposed to study the surface tension driven ?ow and welding metallurgical behavior during laser linear welding of 304 stainless steel. Numerical simulation and experimental method were both used to investigate the thermal behavior, surface tension driven ?ow, driving mechanism and solidi?cation characteristics. The temperature related driving force was qualitatively analyzed, and surface tension and surface shear stress were quantitatively studied. Numerical method and dimensional analysis were also carried out to understand the importance of di?erent driving forces, respectively. The metallurgical model was sequentially coupled to the thermal-?uid model to calculate four solidi?cation parameters. Temperature gradient was observed to be much larger at the front of the melt pool due to the e?ect of thermal conductivity, and decreased from center to the periphery. Both the surface tension and surface tension driven ?ow were found smaller in the central area. The maximum shear stress may reach 2500 N/m2 and pushed an intense outward convection. The solidi?cation parameters were used to predict the solidi?ed morphology, and the prediction was well validated by experimental results. The obtained basic conclusions in this work demonstrated that this study of thermal-?uid-metallurgical behavior could provide an improved understanding of the surface tension driven ?ow and solidi?cation behavior inside the melt pool of welding and additive manufacturing process.
关键词： Solidi?cation behavior,Surface tension,Driving force,Additive manufacturing,Fluid ?ow
更新于2025-09-12 10:27:22
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Stilbene Based Organic Dye as Efficient Sensitizer for NLO and Dye-Sensitized Solar Cells: A First Principle Study
摘要： In this study, we have designed five different Stilbene based dyes as efficient sensitizers for Nonlinear Optical Properties (NLO) and Dye-Sensitized Solar Cells (DSSCs). Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) have used to investigate molecular properties, in order to influence and performance of the dye sensitizer in the DSSCs. The theoretical result indicates that the HOMO and LUMO energy levels of this dye can be ensured a positive effect on the process of photoelectron injection into semiconductor surface and dye regeneration by the electrolyte. The solar energy conversion efficiency, effective key parameters in influence with the Short-Circuit Current Density (JSC), Light Harvesting Efficiency (LHE) and Electron injection driving force (?Ginject) were discussed. The Stilbene-based dyes can be used as a potential sensitizer for photoelectron injection into the semiconductor surface due to its best electronic structure and optical properties of the good photovoltaic parameters.
关键词： Reorganization energy,Light Harvesting Efficiency,Driving force,Short-Circuit Current Density,Dye sensitizer
更新于2025-09-12 10:27:22
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P‐7.8: Study on Temperature Sensing of Red Micro‐LED
摘要： The chlor-alkali/polyvinyl chloride production chain is characterized by high levels of energy consumption and emissions. The sustainable development of this industry has become a growing concern in the face of finite resources and the increasing demand. In the production chain, environmental, energy, and economic aspects are intricately linked. Thus, it's important to investigate how this industry can develop sustainably by examining the interactions among these three aspects. This paper evaluates the chlor-alkali/polyvinyl chloride production chain by using an integrated method combining the driving force-pressure-state-impact-response framework and system dynamics. First, the driving force-pressure-state-impact-response framework is used to investigate the interactions between society and the environment in the development of the production chain. Selected indicators were defined to characterize each subsystem in order to evaluate these interactions quantitatively. Next, system dynamics models are developed to explore the interactions among the three subsystems via causality loops. Five scenarios of the development of chlor-alkali/polyvinyl chloride production chain were simulated to see the effect of different policies on the subsystems. The results show that the sustainable development scenario showed reductions of 52% in energy intensity and 88% in chemical oxygen demand load intensity compared to business as usual. This integrated methodology can also be used as a decision-support tool for the design, planning, and management of the production chains of other process industries.
关键词： Driving force-pressure-state-impact-response (DPSIR) framework,Process industries,Sustainability,System dynamics (SD)
更新于2025-09-11 14:15:04