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Prediction of thermal conductivity in CALF-20 with first-principles accuracy via machine learning interatomic potentials
Understanding the thermal transport properties of CALF-20, a recent addition to the metal-organic framework family, is crucial for its effective utilization in greenhouse gas capture. Here, we report the thermal transport study of CALF-20 using artificial neural network-based machine learning potentials. We use the Green-Kubo approach based on equilibrium molecular dynamics, with a heat-flux renormalization technique, to determine the thermal conductivity (κ) of CALF-20. We predict that the anisotropic thermal transport in CALF-20, with κ below 1 Wm−1K−1 at 300 K, is ideal for thermoelectric applications. Our analysis reveals a weak temperature dependence (κ ~ 1/T0.56) and near invariance with pressure in κ value of CALF-20, which stands out from the typical trend observed in crystalline materials. The outcome of the study, leveraging advanced computational techniques for predictive modeling, offers valuable insights into more suitable applications of CALF-20 with tailored thermal properties.
Bringing metal-organic frameworks to commercialization
1) You have broad experiences in research, commercializing products, and business strategy. Tell us about your career path. I completed a Masters in Chemistry at…
What makes a man unmanly? The global concept of ‘unmanliness’
This paper presents the findings of a multi-national study that led to the development of a new analytical framework in masculinity research—the Global Concept of ‘Unmanliness’ (GCU). Drawing on three key theories—hegemonic masculinity, precarious manhood and masculinity threat, and emasculation—we conducted an innovative study across 15 countries (selected from an initial pool of 62) to examine cultural perceptions of ‘unmanliness.’ Participants provided open-ended responses to identify traits and behaviors considered unmanly within their cultural contexts. By analyzing common themes expressed by young men, we propose the Global Concept of ‘Unmanliness’ as a framework for understanding how societies define and enforce masculinity norms. Furthermore, comparing these findings with the Global Gender Gap Index (GGGI) revealed a key distinction in how ‘unmanliness’ is characterized across different levels of gender emancipation. In countries with high GGGI rankings (e.g., Norway, Ireland, Germany), ‘unmanliness’ is more often associated with physical traits and behaviors linked to femininity (e.g., clothing, makeup). Conversely, in countries with low GGGI rankings (e.g., Pakistan, Morocco, Nigeria), it is more commonly defined by acts such as violence against women. Our study highlights how cultural and structural gender dynamics shape the boundaries of masculinity and offers a new lens for cross-cultural research on gender norms.
Imaging molecular structures and interactions by enhanced confinement effect in electron microscopy
Atomic imaging of molecules and intermolecular interactions are of great significance for a deeper understanding of the basic physics and chemistry in various applications, but it is still challenging in electron microscopy due to their thermal mobility and beam sensitivity. Confinement effect and low-dose imaging method may efficiently help us achieve stable high-resolution resolving of molecules and their interactions. Here, we propose a general strategy to image the confined molecules and evaluate the strengths of host-guest interactions in three material systems by low-dose electron microscopy. Then, we change the guest molecules to analyze how each kind of interaction strength influences the imaging quality of these molecules by using a same parameter, the aspect ratios of imaged molecular projections. In the material systems of perovskites (ionic) and zeolites with adsorbed molecules (van der Waals), we can obtain a clear image of molecular configurations by enhancing host-guest interactions. Even in metal organic framework (coordination) system, the atomic structures and bonds of aromatics can be achieved. These results provide a general description on the relation between molecular images and interactions, making it possible to study more molecular behaviors in wide applications by real-space imaging.
Advancing robust all-weather desalination: a critical review of emerging photothermal evaporators and hybrid systems
All-weather solar-driven desalination systems, integrating photothermal evaporators with hybrid technologies, present a sustainable, cost-effective, and high-efficiency strategy for freshwater production. Despite significant advancements, previous reviews have predominantly focused on daytime evaporation, neglecting the broader scope of all-weather seawater evaporation. This review provides a comprehensive examination of the current status of all-weather seawater evaporators and their hybrid systems. Initially, the review details the system’s composition and operating principles, as well as the design criteria for high-performance evaporators. It then goes over various common photothermal conversion materials for seawater desalination, with a particular emphasis on those materials tailored for all-weather applications. It also offers an in-depth overview to the developed photothermal hybrid systems for all-weather seawater evaporation, including their working principles, the efficiency of evaporation across the day-night cycle, and their practical applications. Lastly, the existing challenges and potential research opportunities are thoroughly discussed.
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