Article
Mechanics
Haibing Peng
Summary: Despite the widespread use of Navier-Stokes equations in computational-fluid-dynamics (CFD), there are still unanswered questions due to the absence of considering the statistical nature of discrete air molecules. In this study, we propose a statistical mechanics-based approach called the volume-element method, which allows for the numerical evaluation of aerodynamic lift and drag. We obtained pressure and friction values as a function of the angle of attack for flat-plate airfoils, and this method can be directly applied to convex-shape airfoils and combined with Monte Carlo simulations for concave-shape airfoils. This approach not only has implications for aerodynamic applications, but also opens up possibilities for further applications in Boson or Fermi gases.
Article
Physics, Fluids & Plasmas
Deborah Schwarcz, Stanislav Burov
Summary: Recent experiments have shown that using a liquid substrate can improve the production of amorphous materials. Our study demonstrates that introducing motion to the substrate atoms can enhance the self-assembly process of particles on top of the substrate.
Article
Biochemistry & Molecular Biology
Andrzej Patrykiejew
Summary: The phase behavior of two-dimensional systems of Janus-like particles on a triangular lattice was studied using Monte Carlo methods. It was found that the phase behavior strongly depended on the interaction energies between the AB and BB halves, and the topology of phase diagrams was determined by the temperature at which the systems undergo the orientational order-disorder transition.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Multidisciplinary
Ziwan Xu, Taokun Luo, Jianming Mao, Caroline McCleary, Eric Yuan, Wenbin Lin
Summary: This study reported a metal-based nanoscale metal-organic framework (nMOF) built from thorium and photosensitizing ligands for enhanced radiation damage to tumors. Monte Carlo simulations showed that the thorium lattice outperformed other lattices in radiation dose enhancement. Experimental results demonstrated that the nMOF generated more reactive oxygen species and induced higher cytotoxicity to cancer cells under X-ray or gamma-ray radiation. In mouse models, the nMOF significantly suppressed tumor growth under low-dose X-ray irradiation.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Man Suk Song, Tom Koren, Magdalena Zaluska-Kotur, Ryszard Buczko, Nurit Avraham, Perla Kacman, Hadas Shtrikman, Haim Beidenkopf
Summary: In this study, a unique structure of tapered nanowires was characterized and found to serve as a platform for one-dimensional topological superconductivity. The tapered nanowires gradually converge into a very thin square tip, potentially offering advantages for the realization and manipulation of Majorana zero modes.
Article
Physics, Fluids & Plasmas
Damien Paul Foster, Debjyoti Majumdar
Summary: This study focuses on the critical behavior of lattice models of polymers with monomers carrying a magnetic moment, showing a first-order character of both magnetic transition and polymer collapse in three dimensions, while a continuous transition is observed in two dimensions. Finite-size scaling is used to estimate critical exponents and transition temperature in the absence of an external magnetic field.
Article
Chemistry, Multidisciplinary
Wansuo Liu, Xiangji Yue, Zeng Lin
Summary: This study investigates the impact of microchannel diameter changes on flow field uniformity in plasma-enhanced chemical vapor deposition (PECVD) process. The results show that the expansion type microchannel exhibits a smaller change in velocity compared to the equal-diameter type, which is beneficial for maintaining the uniformity of film thickness.
Article
Environmental Sciences
Ram Proshad, Abubakr M. Idris
Summary: Heavy metals (HMs) contamination in foodstuffs poses serious health issues, with cereals, fruits, and vegetables being potential sources of exposure. This study assessed 11 HMs in foodstuffs, finding that Cd, Cr, Cu, Ni, and Pb exceeded maximum permissible concentrations (MPCs), indicating contamination and health risks. Vegetables had the highest metal contents, followed by cereals and fruits. Intakes of studied metals exceeded recommended limits and posed non-carcinogenic and potential carcinogenic risks. Practical evaluation techniques will aid policymakers in controlling metal contamination in foodstuffs.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Environmental Sciences
Haiwei Zhang, Fei Zhang, Jia Song, Mou Leong Tan, Hsiang-te Kung, Verner Carl Johnson
Summary: The study analyzed the pollution characteristics and sources of heavy metal elements in the Zhundong mining area in Xinjiang for the first time, as well as evaluating the health risks and influencing factors using Monte Carlo simulation. Results showed that coal combustion, transportation, and atmospheric dust were significant sources of heavy metal pollution in the area. The research contributes to better soil management, remediation, and pollution control in Xinjiang's mining areas.
ENVIRONMENTAL RESEARCH
(2021)
Article
Physics, Multidisciplinary
K. L. Zhang, Z. Song
Summary: The study reveals that applying a nonlocal non-Hermitian perturbation to an Ising chain merges the topological Kramer-like degeneracy in the ferromagnetic phase, with distinct dynamic responses for different quantum phases. The phase diagram at zero temperature is completely preserved at finite temperatures.
PHYSICAL REVIEW LETTERS
(2021)
Article
Mechanics
Da Gao, Bijiao He, Chenggeng Wu, Guobiao Cai, Lihui Liu
Summary: This study compares the energy distribution of the chemical reaction C O-2 + O ? CO + O-2 using the Larsen-Borgnakke (L-B) and Q-K methods, and finds that only the Q-K method achieves detailed balance. The study also indicates that detailed balance is reached only when the collision temperature is used to adjust the activation energy, rather than the translational temperature.
Article
Physics, Fluids & Plasmas
Vladimir P. Zhdanov
Summary: Chemisorption can cause reshaping of metal nanocrystallites with surface tension dependent on adsorbate coverage. Disagreement exists on how to calculate surface tension in this case. Statistical physics laws clarify that surface tension can be described uniformly under different adsorption scenarios.
Article
Chemistry, Physical
Shiyan Wang, Anirudh Venkatesh, Doraiswami Ramkrishna, Vivek Narsimhan
Summary: A Brownian bridge is a continuous random walk guided by an effective drift to control the endpoint of a stochastic process. While widely applicable in chemical science, the main limitation is the difficulty in determining the effective drift and solving the complex Backward Fokker-Planck equation.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
A. Redermeier, E. Kozeschnik
Summary: The phase decomposition in binary Fe1-xCux system was studied using Monte Carlo simulations. The research combined density functional theory calculations and local chemical environment approach to predict and analyze the evolution of precipitates.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2021)
Article
Optics
Ruoyu Chen, Shanbao Tong, Peng Miao
Summary: This study proposes a deep-learning-based strategy for high spatiotemporal resolution three-dimensional (3D) reconstruction from a single transilluminated laser speckle contrast image, providing more structural and functional details without multifocus two-dimensional (2D) imaging or 3D optical imaging with point/line scanning. The method utilizes convolution of vessel masks with depth-dependent point spread functions (PSF) to generate a large training dataset, and employs UNet and ResNet for deblurring and depth estimation. The blood flow in the reconstructed 3D vessels is estimated by a depth-dependent contrast model. The proposed method achieves high-fidelity structural reconstruction with a depth-independent estimation of blood flow, and is suitable for real-time monitoring of thick tissue and the diagnosis of vascular diseases.
Article
Physics, Condensed Matter
Maria Cecilia Gimenez
EUROPEAN PHYSICAL JOURNAL B
(2016)
Article
Physics, Multidisciplinary
M. Cecilia Gimenez, Ana Pamela Paz Garcia, Maxi A. Burgos Paci, Luis Reinaudi
PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS
(2016)
Article
Chemistry, Physical
Elizabeth del Valle Gomez, Lucia B. Avalle, M. Cecilia Gimenez
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2019)
Article
Chemistry, Physical
Fabricio O. Sanchez-Varretti, Elizabeth del Gomez, Lucia B. Avalle, Fernando M. Bulnes, M. Cecilia Gimenez, Antonio J. Ramirez-Pastor
APPLIED SURFACE SCIENCE
(2020)
Article
Chemistry, Multidisciplinary
Sebastian Amaya-Roncancio, Luis Reinaudi, Susana Chauque, Fabiana Y. Oliva, Osvaldo R. Camara, Ezequiel P. M. Leiva, M. Cecilia Gimenez
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2020)
Article
Nanoscience & Nanotechnology
Luis Reinaudi, Christian F. A. Negre, M. Cecilia Gimenez
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES
(2020)
Article
Materials Science, Multidisciplinary
S. Amaya-Roncancio, L. Reinaudi, M. Cecilia Gimenez
MATERIALS TODAY COMMUNICATIONS
(2020)
Article
Physics, Condensed Matter
Maria Cecilia Gimenez, Luis Reinaudi, Ana Pamela Paz-Garcia, Paulo Marcelo Centres, Antonio Jose Ramirez-Pastor
Summary: The opinion evolution of agents arranged in a square lattice under the influence of external propaganda was studied, with analysis on the impact of different factors on the stationary state. Results showed that random distribution of propaganda was most effective in influencing agent opinions.
EUROPEAN PHYSICAL JOURNAL B
(2021)
Article
Chemistry, Physical
Elizabeth del Gomez, Sebastian Amaya-Roncancio, Lucia B. Avalle, M. Cecilia Gimenez
Summary: An extensive study of adsorption and diffusion of O, O-2, OH and H2O on Cu(100) surfaces was conducted using DFT calculations. The preferential adsorption sites were found to be hollow for O, O-2 and OH, and top for H2O. Diffusion velocity was fastest for H2O and OH, and slowest for O-2.
Article
Chemistry, Physical
Elizabeth del Gomez, Maxi A. Burgos Paci, Sebastian Amaya-Roncancio, Lucia B. Avalle, M. Cecilia Gimenez
Summary: A computational study using density functional theory was conducted to investigate the adsorption and diffusion of oxygen atoms on (100) surfaces of Au, Cu, Ag, and Pt. Results show higher adsorption energies and diffusion rates on Cu, with different preferential adsorption sites for oxygen on each metal.
COMPUTATIONAL AND THEORETICAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
M. Cecilia Gimenez, Paulo M. Centres
Summary: Adsorption and continuous phase transitions of metals on metallic surfaces were studied using Monte Carlo simulations and finite-size scaling theory. The results show that the studied systems belong to the same universality as random sequential adsorption. The percolation threshold for the systems studied is always below the value corresponding to random sequential adsorption, and it tends to that value as temperature increases. At intermediate temperatures, a particular behavior is observed for the embedded atom method interactions.
Article
Physics, Fluids & Plasmas
P. M. Centres, A. J. Ramirez-Pastor, M. C. Gimenez
Article
Physics, Fluids & Plasmas
P. M. Centres, A. J. Ramirez-Pastor, M. C. Gimenez
Article
Chemistry, Physical
Elizabeth del V. Gomez, Sebastian Amaya-Roncancio, Lucia B. Avalle, Daniel H. Linares, M. Cecilia Gimenez
APPLIED SURFACE SCIENCE
(2017)
Article
Physics, Fluids & Plasmas
M. C. Gimenez, A. J. Ramirez-Pastor
