Article
Energy & Fuels
Yue Peng, Nan Shi, Tao Wang, Jiawei Wang, Yongsheng Zhang, Wei-Yin Chen, Baharak Sajjadi, Wei-Ping Pan
Summary: This study investigated the effects of sampling temperature and excess air coefficient on the total mass, chemical speciation, and particle size distribution of condensable particulate matter emitted from fuel combustion. It was found that adjusting the emission temperature and EAC could help control the emission of CPM, with organic species dominating the composition of CPM.
Article
Chemistry, Multidisciplinary
Elizabeth Barsotti, Mohammad Piri
Summary: The research indicates that the absence of clear capillary condensation in the isotherms of most naturally occurring nanoporous media is due to the broad pore size distribution of the materials. By mixing different sizes of adsorbents, it was found that the phase behavior in different pore sizes is additive, suppressing the appearance of capillary condensation. By comparing isotherms of mixtures to those of single pore sizes, correlations using the Lorentzian function were developed to determine porosity and fluid density straightforwardly.
Article
Materials Science, Multidisciplinary
Andrew D. Kim, Michael Widom
Summary: We propose a simplified method for modeling interatomic interactions in high entropy alloys using a lookup table of cluster energies. These interactions are utilized in replica exchange Monte Carlo simulations with histogram analysis to obtain thermodynamic properties over a wide temperature range. The entropy is calculated directly using Kikuchi's cluster variation method entropy formalism, and we discuss the convergence of the entropy as different-sized clusters are included. A high temperature series expansion is employed to aid in understanding the convergence. Computer codes and supporting data for implementing these methods are freely available online.
PHYSICAL REVIEW MATERIALS
(2023)
Article
Physics, Fluids & Plasmas
Kang K. L. Liu, N. Lubbers, W. Klein, J. Tobochnik, B. M. Boghosian, Harvey Gould
Summary: This agent-based model demonstrates that both poorer and richer agents benefit from economic growth if its distribution does not strongly favor the richer agents. The exponents do not follow the usual scaling laws unless a combination of parameters called the Ginzburg parameter is held fixed near the phase transition.
Article
Astronomy & Astrophysics
Kyle Akira Rocha, Jeff J. Andrews, Christopher P. L. Berry, Zoheyr Doctor, Aggelos K. Katsaggelos, Juan Gabriel Serra Perez, Pablo Marchant, Vicky Kalogera, Scott Coughlin, Simone S. Bavera, Aaron Dotter, Tassos Fragos, Konstantinos Kovlakas, Devina Misra, Zepei Xing, Emmanouil Zapartas
Summary: Binary stars play a crucial role in studying evolutionary phases, but traditional methods of population synthesis are computationally expensive. The new active learning algorithm, psy-cris, effectively selects simulations for training sets, requiring fewer simulations than traditional methods for accurate classification and regression.
ASTROPHYSICAL JOURNAL
(2022)
Article
Mechanics
Yaxing Li, Pengyu Lv, Christian Diddens, Detlef Lohse
Summary: This study investigates the flow dynamics after phase segregation in a multicomponent system. Taking the example of a 1,2-hexanediol-water binary droplet system, the experimental results reveal the segregative behavior and flow structure during the evaporation process, and the three successive life stages are identified by quantifying the evolution of the radial flow.
JOURNAL OF FLUID MECHANICS
(2022)
Article
Environmental Sciences
Matthew Ozon, Dominik Stolzenburg, Lubna Dada, Aku Seppanen, Kari E. J. Lehtinen
Summary: Bayesian state estimation was applied to the measurement of aerosol size distribution dynamics, showing good agreement with previous methods and true values in four experiments analyzed.
ATMOSPHERIC CHEMISTRY AND PHYSICS
(2021)
Article
Biochemistry & Molecular Biology
Siegfried Kollotzek, Olga Lushchikova, Lukas Tiefenthaler, Fabio Zappa, Paul Scheier
Summary: Researchers have proposed a novel method to breed size-selected clusters by adsorbing dopants into multiply charged helium nanodroplets. The experimental data is in agreement with the simulation results, providing a simple explanation for the emergence of size distributions that are narrower than Poisson.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Multidisciplinary
Ze-Hua Gao, Kecheng Wei, Tao Wu, Jia Dong, De-En Jiang, Shouheng Sun, Lai-Sheng Wang
Summary: In this study, a heteroleptic gold trihydride nanocluster was synthesized and found to have high catalytic activity and stability for electrochemical reduction of CO2 to CO. The hydride coordinated gold sites were identified as the active centers for the catalytic reaction.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Engineering, Chemical
Yumeng Zhang, Guoyin Yu, Ruizhi Jin, Yang Zhang, Kejun Dong, Teng Cheng, Bo Wang
Summary: This paper investigates the condensation growth of fine particles in turbulent pipe flow. The study finds that the particles in the center of the pipe are larger than those near the wall at the outlet. The non-uniform distribution of relative humidity in the pipe is identified as the cause, where the low diffusion coefficient of water vapor in the central region cannot effectively compensate for the water vapor consumption caused by wall condensation. The use of spoilers to change the gas flow field and water vapor distribution leads to improved particle growth. These findings provide theoretical guidance for the treatment of fine particles in industrial processes.
Article
Multidisciplinary Sciences
Peizhi Mai, Seher Karakuzu, Giovanni Balduzzi, Steven Johnston, Thomas A. Maier
Summary: The observation of fluctuating spin and charge stripes in the doped single-band Hubbard model using a quantum Monte Carlo dynamical cluster approximation (DCA) method demonstrates that they survive in the doped Hubbard model in the thermodynamic limit.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Mechanics
Li Li, Ping Wu, Li Wang, Shiping Zhang, Zi-ang Xie
Summary: This study focuses on the pattern of convection and distribution of binary particles under vibration and airflow. Four similar but not identical convection patterns were observed, and the same convection pattern can be obtained with different distribution patterns.
Article
Physics, Fluids & Plasmas
Donald G. Ferschweiler, Ryan Blair, Alexander R. Klotz
Summary: Inspired by experiments on topologically linked DNA networks, the connectivity of Borromean networks is investigated, where no two rings share a pairwise-link, but groups of three rings form inseparable triplets. The percolation threshold and dissolution properties of Borromean square lattice networks are studied, finding that the percolation threshold occurs when approximately 60.75% of nodes are occupied. Dissolved Borromean networks yield more isolated loops and fewer isolated triplets per single loop compared to Hopf-linked networks. The simulation results have implications for predicting experiments with Borromean structures produced by synthetic chemistry.
Article
Engineering, Chemical
Xiaohuan Liu, Shuai Wang, Shiliang Yang, Hua Wang
Summary: This study numerically simulated the cluster dynamics in the riser of a pilot-scale circulating fluidized bed with wide particle size distribution using the MP-PIC approach. The results demonstrate the model's ability to accurately predict important features of clusters, showing that clusters mainly distribute in the lower part of the riser and closer clusters to the wall have larger vertical length and aspect ratio. Gas velocity and PSD width significantly impact the cluster volume, vertical length, horizontal length, and aspect ratio.
Article
Chemistry, Inorganic & Nuclear
Luyu Zhu, Yanli Liang, Lizhi Sun, Jianli Wang, Dongdong Xu
Summary: The study successfully prepared highly active phosphorous-alloyed Pd nanoclusters loading on nitrogen-doped carbon as catalysts for the dehydrogenation of formic acid. The alloyed Pd and doped N effectively tailored the electronic states of the catalyst surface, optimizing the adsorption energy of formic acid and accelerating the reaction rate.
INORGANIC CHEMISTRY
(2021)