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Abstract In recent years, the uncertainty of weather conditions and the impact of future climate change on building energy assessment has received increasing attention. As an important part of these studies, several types of methods for generating stochastic meteorological data have also been developed. Since solar radiation drops to zero at night, unlike the continuous 24-hour data for elements such as temperature and humidity, this has posed challenges for previous research to fully account for the simultaneity among multiple elements. Therefore, this study proposes a framework for meteorological data generation: First, perform multivariate time series modeling of meteorological data of air temperature, solar radiation and absolute humidity at 12:00 of each day of a typical year based on the S-vine copula method and simulating daily series data at 12:00 for 365 days. Then, based on the probability of change of each element evaluated from the historical meteorological observation data, the daily series data at 12:00 were expanded to 24 h, after which the yearly stochastic weather data were obtained. The analysis of 30 years of stochastic data generated by this method, compared with the original data, reveals that air temperature and solar radiation closely match the original distribution characteristics, except for a minor deviation in the absolute humidity’s kurtosis. Furthermore, the comparison of thermal load distributions for office buildings shows that the original data curve falls within the range of the generated data. This suggests that the generated data includes more information about uncertainty but still keeps the original data’s characteristics.

Ultrafast, high-intensity X-ray free-electron lasers can perform diffraction imaging of single protein molecules. Various algorithms have been developed to determine the orientation of each single-particle diffraction pattern and reconstruct the 3D diffraction intensity. Most of these algorithms rely on the premise that all diffraction patterns originate from identical protein molecules. However, in actual experiments, diffraction patterns from multiple different molecules may be collected simultaneously. Here, we propose a predicted model-aided one-step classification–multireconstruction algorithm that can handle mixed diffraction patterns from various molecules. The algorithm uses predicted structures of different protein molecules as templates to classify diffraction patterns based on correlation coefficients and determines orientations using a correlation maximization method. Tests on simulated data demonstrated high accuracy and efficiency in classification and reconstruction.

The success of experimental phasing in macromolecular crystallography relies primarily on the accurate locations of heavy atoms bound to the target crystal. To improve the process of substructure determination, a modified phase-retrieval algorithm built on the framework of the relaxed alternating averaged reflection (RAAR) algorithm has been developed. Importantly, the proposed algorithm features a combination of the π-half phase perturbation for weak reflections and enforces the direct-method-based tangent formula for strong reflections in reciprocal space. The proposed algorithm is extensively demonstrated on a total of 100 single-wavelength anomalous diffraction (SAD) experimental datasets, comprising both protein and nucleic acid structures of different qualities. Compared with the standard RAAR algorithm, the modified phase-retrieval algorithm exhibits significantly improved effectiveness and accuracy in SAD substructure determination, highlighting the importance of additional constraints for algorithmic performance. Furthermore, the proposed algorithm can be performed without human intervention under most conditions owing to the self-adaptive property of the input parameters, thus making it convenient to be integrated into the structural determination pipeline. In conjunction with the IPCAS software suite, we demonstrated experimentally that automatic de novo structure determination is possible on the basis of our proposed algorithm.

Ultra-intense, ultra-fast X-ray free-electron lasers (XFELs) enable the imaging of single protein molecules under ambient temperature and pressure. A crucial aspect of structure reconstruction involves determining the relative orientations of each diffraction pattern and recovering the missing phase information. In this paper, we introduce a predicted model-aided algorithm for orientation determination and phase retrieval, which has been tested on various simulated datasets and has shown significant improvements in the success rate, accuracy and efficiency of XFEL data reconstruction.

This in-depth study explores the intricate dynamics of reflective materials, emphasizing their impact on the indoor thermal environment and urban heat island (UHI) mitigation. Examining diffuse highly reflective (DHR), general reflective (GR), and retro-reflective (RR) materials on a simplified building model during summer days, the research utilizes outdoor experiments to analyze air and surface temperatures, as well as solar radiation. Prioritizing key metrics—mean radiant temperature (MRT), operative temperature (OT), and solar reflectance (ρ)—the study uncovers nuanced distinctions in DHR, GR, and RR materials. Solar reflectance calculations consistently show higher values for DHR and RR materials compared to GR material, highlighting reflectance's pivotal role in influencing surface temperatures and indoor thermal environment. When evaluating the impact of exterior wall materials on building temperatures, RR material with a 76% reflectance performs similarly to DHR material (82%). Notably, with a 6% lower reflectance in RR, the temperature contrast between external and internal walls is only about 1.5 °C at its maximum, underscoring RR's effectiveness as an outer wall material for UHI mitigation and building energy conservation, surpassing both DHR and GR materials.