Article
Chemistry, Physical
Megha Yadav, Chamkor Vanshika, Chamkor Singh
Summary: In the absence of driving forces, suspensions of red blood cells in blood plasma often form branched networks which existing simulations fail to replicate exactly. We posit that anisotropic attractions can precisely generate such branched structures at decreased depletion range.
Article
Chemistry, Physical
Jan Hansen, Carolyn J. Moll, Leticia Lopez Flores, Ramon Castaneda-Priego, Magdaleno Medina-Noyola, Stefan U. Egelhaaf, Florian Platten
Summary: The interplay between liquid-liquid phase separation and dynamical arrest can produce gels and glasses with applications in various fields. Protein solutions exhibit interesting equilibrium and non-equilibrium behaviors, and this study investigates the effect of attractive and repulsive forces on the phase behavior of lysozyme in brine. Experimental measurements and theoretical predictions are in good qualitative agreement, shedding light on the new phenomenology observed in the system.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Ahmed Al Harraq, Aubry A. Hymel, Emily Lin, Thomas M. Truskett, Bhuvnesh Bharti
Summary: Competition between attractive and repulsive interactions between colloidal particles drives the formation of complex assemblies. In this study, the dual functionality of magnetic nanoparticle dispersions is exploited to simultaneously drive attraction and repulsion between suspended non-magnetic microspheres, allowing for precise tuning of the interaction energy landscape of colloidal particles.
COMMUNICATIONS CHEMISTRY
(2022)
Article
Physics, Condensed Matter
Chris L. Kennedy, Daphne Sayasilpi, Peter Schall, Janne-Mieke Meijer
Summary: This study investigates the self-assembly of colloidal 'superballs', which are cubes with rounded corners, and provides insights into the coupling of a cubic shape and short-range attractions. The results demonstrate that the change in contact area at faces and corners of the building blocks, combined with the increase in attraction strength and range, plays a crucial role in the formation of superstructures.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Mechanics
Edmund M. Tang, Sabitoj Singh Virk, Patrick T. Underhill
Summary: In this study, a colloidal model with both short-range sticky attractions and long-range electrostatic repulsions was analyzed. The zero-shear viscosity and second virial coefficient of a dilute colloidal suspension were computed as functions of the strength of attractions and repulsions. An analytical approximation was developed to understand the coupling of the two types of interactions. The results showed that long-range repulsions weaken the influence of short-range attractions and alter the effects of repulsions on the zero-shear viscosity. Acting independently, both attractions and repulsions increase the viscosity coefficient, but when considered together, repulsions can screen the effect of attractive interactions and reduce the viscosity.
JOURNAL OF RHEOLOGY
(2022)
Article
Engineering, Electrical & Electronic
Shao-Ming Chiang, Eng-Hock Lim, Pei-Song Chee, Yong-Hong Lee, Fwee-Leong Bong
Summary: This paper introduces the concept of an inductive channel for tuning the resonant frequency of a bowtie dipolar tag antenna. By loading the inductive channel, arbitrary tuning capability can be achieved without affecting the antenna's read performances. The proposed tag antenna has a compact physical size and can be applied on metal surfaces, achieving a large maximum reading distance.
IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
(2022)
Article
Nanoscience & Nanotechnology
Dean Thomas, Daniel J. Tetlow, Yansong Ren, Salma Kassem, Ulvi Karaca, David A. Leigh
Summary: The sorption of species from a solution into and onto solids plays a crucial role in various technologies. This study introduces a molecular pump system immobilized on polymer beads that uses an energy ratchet mechanism to directionally transport substrates from solution onto the beads. This non-equilibrium sorption enables the transduction of energy from chemical fuels for energy and information utilization, storage, and release.
NATURE NANOTECHNOLOGY
(2022)
Article
Materials Science, Multidisciplinary
Gianluca Passarelli, Procolo Lucignano, Rosario Fazio, Angelo Russomanno
Summary: This study relaxes the conditions for the formation of time crystals, showing that time-translation-symmetry-breaking collective oscillations still persist in systems without spin symmetry. By engineering a specific Lindbladian model, a rich phase diagram, including the time-crystal phase and different types of transitions, is revealed. The magnetization dynamics are also studied in the mean-field approximation.
Article
Chemistry, Physical
Wendu Zhang, Chuangchuang Yang, Weiqi Liu, Huifen Wang, Shilin Wei, Jiawei Qi, Peiyao Bai, Bolin Jin, Lang Xu
Summary: Fuel cell performance relies on electrochemical reaction kinetics and mass transport, with an emphasis on the latter in this work. Using the concept of 'long-range order, short-range disorder', the study successfully enhanced both reaction kinetics and mass transport performance.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2021)
Article
Materials Science, Multidisciplinary
A. Simonov, P. Rabiller, C. Mariette, L. Guerin, A. Bosak, A. Popov, B. Toudic
Summary: Investigation of single-crystal diffuse scattering in n-alkane/urea inclusion compounds reveals the correlation between the positions of alkane molecules in neighboring channels and extracts the effective interaction potentials mediated by the relaxation of urea molecules.
Article
Materials Science, Multidisciplinary
Bo Zhu, Dan Zhao, Yihan Niu, Zhenqiao Zhang, Hongwei Zhao
Summary: High-entropy alloys (HEAs) are promising industrial materials due to their unique properties determined by short-range ordering (SRO) and atomic segregation. Molecular dynamics simulations combined with Mont Carlo calculations on FeCoNiCuAl HEA reveal that BCC phase is more competitive during homogeneous crystallization. SRO and atomic segregation are driven by mixing enthalpy, resulting in energetically favorable atomic configuration and structure distribution. In solidified FeCoNiCuAl system, Al-Fe pairs dominate in BCC phase while Co-Ni pairs dominate in FCC phase. Cu tends to segregate at the edge of FCC phase without forming intermetallic compounds. Furthermore, the optimized atomic configuration and structure distribution at 700 K and 500 K are not energy-favorable at 300 K, indicating that atomic segregation occurs throughout the crystallization process in HEAs.
MATERIALS & DESIGN
(2023)
Article
Materials Science, Multidisciplinary
L. Tang, Z. J. Yang, T. Q. Wen, K. M. Ho, M. J. Kramer, C. Z. Wang
Summary: Molecular dynamics simulations using a neural network-developed interatomic potential reveal local structural order in Al90Tb10 metallic glass, with Tb-centered clusters exhibiting short-range order and Bergman-type medium-range order. Crystal structure searches using genetic algorithm show low-energy metastable crystalline structures with different SRO configurations compared to the glassy phase.
Article
Telecommunications
Mummareddy Yogendra Sai, Suri Kavya, Sravya Reddy Bhimavarapu, Mona Mudaliar, Shruti Sharma
Summary: The paper presents the design of a coplanar waveguide microstrip patch antenna for DSRC applications in automotive safety and traffic congestion mitigation. The proposed antenna demonstrates promising performance in terms of frequency band coverage, return loss, and radiation pattern.
WIRELESS PERSONAL COMMUNICATIONS
(2022)
Article
Physics, Multidisciplinary
Hao Hu, Robert M. Ziff, Youjin Deng
Summary: We use percolation theory and Monte Carlo simulation to study the connectivity of a lattice model in two dimensions. We find that in the orientationally ordered stripe phase formed by self-assembling Janus disks, percolation is anisotropic and consistent with isotropic percolation after appropriate spatial rescaling. This rescaling procedure can be applied to understand other anisotropic systems.
PHYSICAL REVIEW LETTERS
(2022)
Article
Engineering, Chemical
Christos Tsanas, Jean-Charles de Hemptinne, Pascal Mougin
Summary: This paper presents a reactive flash algorithm based on previous works, which considers the charge/electric potential contribution to the Gibbs energy and allows application to multiple electrolyte phases. The need for the overall electroneutrality equation is discussed.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Physical
Saheli Mitra, Susana Marin-Aguilar, Srikanth Sastry, Frank Smallenburg, Giuseppe Foffi
Summary: This study investigates the correlation between local structure and propensity for structural rearrangement in glass forming liquids and glasses. The results show that in a cyclic shear deformation, particles with higher S-2 and lower n(tet) are more likely to undergo rearrangement, regardless of the average energies of the configurations and strain amplitude. Distinctive local ordering is observed outside the shear band region, with the formation of icosahedral clusters.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Physics, Condensed Matter
John Russo, Flavio Romano, Lukas Kroc, Francesco Sciortino, Lorenzo Rovigatti, Petr Sulc
Summary: This study proposes a general framework for solving inverse self-assembly problems and successfully demonstrates the design and numerical simulation of a specific cubic diamond structure. The approach uses patchy particles as building blocks and transforms the problem into a Boolean satisfiability problem to determine the interaction rules between patches.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Review
Physics, Multidisciplinary
John Russo, Fabio Leoni, Fausto Martelli, Francesco Sciortino
Summary: This study focuses on the connections between empty liquids, patchy particles, and water. It highlights the modeling principles that allow an empty liquid to behave like water, including factors such as the appearance of thermodynamic and dynamic anomalies, the possibility of liquid-liquid phase transitions, and the crystallization of open crystalline structures.
REPORTS ON PROGRESS IN PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Jieli Lyu, Wajdi Chaabani, Evgeny Modin, Andrey Chuvilin, Thomas Bizien, Frank Smallenburg, Marianne Imperor-Clerc, Doru Constantin, Cyrille Hamon
Summary: This study makes progress in nanoparticle design, obtaining colloidal supercrystals of pentagonal gold bipyramids and revealing their packing characteristics and potential applications in optical response.
ADVANCED MATERIALS
(2022)
Article
Chemistry, Physical
Riccardo Foffi, Francesco Sciortino
Summary: Multiple numerical studies have confirmed the existence of a liquid-liquid critical point and proposed various structural indicators to describe the associated phase transition. Analyzing simulations of near-critical supercooled water, it is found that most indicators are strongly correlated to density, suggesting a tight coupling between apparently distinct structural degrees of freedom near the critical point.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Chemistry, Physical
Camilla Beneduce, Diogo E. P. Pinto, Petr Sulc, Francesco Sciortino, John Russo
Summary: This study investigates the nucleation process of a binary mixture of patchy particles designed to nucleate into a diamond lattice. By combining Gibbs-ensemble simulations and direct nucleation simulations, the role of the liquid-gas metastable phase diagram on the nucleation process is revealed. The strongest enhancement of crystallization is found to occur at an azeotropic point with the same stoichiometric composition of the crystal.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Editorial Material
Chemistry, Physical
Michele Ceriotti, Lasse Jensen, David E. Manolopoulos, Todd Martinez, David R. Reichman, Francesco Sciortino, C. David Sherrill, Qiang Shi, Carlos Vega, Lai-Sheng Wang, Emily A. Weiss, Xiaoyang Zhu, Jenny Stein, Tianquan Lian
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Rinske M. Alkemade, Frank Smallenburg, Laura Filion
Summary: This study explores whether a simple linear regression algorithm combined with intelligently chosen structural order parameters can achieve the accuracy of the current advanced machine learning approaches for predicting dynamic propensity. The research finds that the structure of the cage state is highly predictive of the long-time dynamics of the system compared to the initial and inherent states. By combining the cage state information with the initial state, dynamic propensities can be predicted with unprecedented accuracy over a broad range of time scales, including the caging regime.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Francesco Guidarelli Mattioli, Francesco Sciortino, John Russo
Summary: We propose a new neural network potential that incorporates atomic fingerprints based on both two- and three-body contributions. These fingerprints probe distances and local orientational order. The training process of the proposed potential is simplified by using a small set of tunable parameters for the fingerprints. This approach improves the overall accuracy of the network representation and successfully reproduces the behavior of the mW model of water.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Francesco Guidarelli Mattioli, Francesco Sciortino, John Russo
Summary: Neural network potentials (NNPs) are increasingly used to study long time scale processes, such as crystal nucleation. It is unclear whether NN potentials trained on equilibrium liquid states can accurately describe nucleation processes. In this study, a NNP trained on a classical three-body potential for water accurately reproduces nucleation rates and free energy barriers, supporting the use of NNPs for studying nucleation events.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Multidisciplinary Sciences
Diogo E. P. Pinto, Petr Sulc, Francesco Sciortino, John Russo
Summary: The control over self-assembly of complex structures, particularly at the colloidal scale, has been a significant challenge in material science. The formation of amorphous aggregates often disrupts the desired assembly pathway. In this study, we investigate the self-assembly problem of three Archimedean shells using patchy particles as model building blocks. By recasting the assembly problem as a Boolean satisfiability problem, we find effective designs and selectively suppress unwanted structures.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Chemistry, Physical
Etienne Fayen, Marianne Imperor-Clerc, Laura Filion, Giuseppe Foffi, Frank Smallenburg
Summary: Hard spheres are a fundamental model system in soft matter physics and have been crucial in understanding classical condensed matter. Simulations show that a simple model system of two sizes of hard spheres can self-assemble into two distinct random-tiling quasicrystal phases. The formation of these quasicrystals demonstrates that entropy and geometrically compatible, densely packed tiles are sufficient for the self-assembly of colloidal quasicrystals.
Article
Chemistry, Physical
Gianmarco Munao, Dino Costa, Gianpietro Malescio, Jean-Marc Bomont, Santi Prestipino
Summary: In this study, a novel mechanism for the formation of striped structures has been proposed. By introducing a long-range attraction between like particles in a binary mixture of hard spheres, stripes can be formed. This finding opens up new possibilities for synthesizing colloidal particles with stripe-modulated structures.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Santi Prestipino, Davide Pini, Dino Costa, Gianpietro Malescio, Gianmarco Munao
Summary: This article studies a simple binary mixture model with stripe order. By numerical calculations and simulations, it is found that stripes exist in both liquid and solid phases. Density functional theory is used to study the phase behavior of the model, and good results are obtained under certain conditions.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Gianmarco Munao, Dino Costa, Gianpietro Malescio, Jean-Marc Bomont, Santi Prestipino
Summary: In this study, Monte Carlo simulations were used to investigate a mixture of particles with competing interactions and hard spheres. The role of the range of cross attraction in determining the equilibrium structure of the mixture was examined. It was found that clustering occurs when the width of the well exceeds a certain value, resulting in aggregates characterized by various sizes and shapes. A single big cluster appears only for low concentrations of one component, indicating a stable structure at equilibrium. Furthermore, a solid phase with a wafer structure consisting of alternating bilayers of different species was observed at higher densities.
Article
Chemistry, Physical
Yiping Yin, Zhe Wang, Hua Zou
Summary: This study presents a novel method for preparing dimpled polymer-silica nanocomposite particles using interfacial swelling-based seeded polymerization. The optimized conditions allow for a relatively high percentage of dimpled particles to be achieved.
Article
Chemistry, Physical
Brenden D. Hoehn, Elizabeth A. Kellstedt, Marc A. Hillmyer
Summary: Porous materials with nanometer-scale pores have important applications as nanoporous membranes. In this study, ABA triblock copolymers were used as precursors to produce nanoporous polymeric membranes (NPMs) in thin film form by degrading the end blocks. Polycyclooctene (PCOE) NPMs with tunable pore sizes were successfully prepared using solvent casting technique. Oxygen plasma etching was employed to improve the surface porosity and hydrophilicity of the membranes. This study provides a straightforward method to produce tough NPMs with high porosity and hydrophilic surface properties.
Article
Chemistry, Physical
Vladislav S. Petrovskii, Stepan I. Zholudev, Igor I. Potemkin
Summary: This article investigates the behavior of linear and ring polypeptide chains in aqueous solution and explores the properties of the complexes formed by these chains with oppositely charged surfactants. The results demonstrate that the complexes of linear supercharged unfolded polypeptides and the corresponding surfactants exhibit impressive adhesive properties.
Article
Chemistry, Physical
Merve Cevik, Serkan Dikici
Summary: Cardiovascular diseases are a leading cause of death globally, and vascular grafts are a promising treatment option. This study focuses on tissue-engineered vascular grafts (TEVGs) using decellularized parsley stems as a potential biomaterial. The decellularized parsley stems showed suitable properties for TEVGs, providing a suitable environment for human endothelial cells to form a pseudo endothelium. This study showcases the potential of using parsley stems for TEVGs.
Article
Chemistry, Physical
Gustavo A. Vasquez-Montoya, Tadej Emersic, Noe Atzin, Antonio Tavera-Vazquez, Ali Mozaffari, Rui Zhang, Orlando Guzman, Alexey Snezhko, Paul F. Nealey, Juan J. de Pablo
Summary: The optical properties of liquid crystals are typically controlled by electric fields. In this study, we investigate the effects of microfluidic flows and acoustic fields on the molecular orientation and optical response of nematic liquid crystals. We identify several previously unknown structures and explain them through calculations and simulations. These findings hold promise for the development of new systems combining sound, flow, and confinement.
Article
Chemistry, Physical
Xinjun Wu, Xin Guan, Shushu Chen, Jiangpeng Jia, Chongyi Chen, Jiawei Zhang, Chuanzhuang Zhao
Summary: This research presents a novel shape memory hydrogel with a remodelable permanent shape and programmable cold-induced shape recovery behavior. The hydrogel is prepared using specific treatment methods to achieve shape fixation by heating and shape recovery by cooling. Additionally, deformable devices can be obtained by assembling hydrogel blocks with different concentrations.
Article
Chemistry, Physical
Rebecca Hengsbach, Gerhard Fink, Ulrich Simon
Summary: This study examines the properties of DNA functionalized pNipmam microgels and pure pNipmam microgels at different concentrations of sodium chloride and in PBS solutions using temperature dependent H-1-NMR measurements. The results show that DNA modification affects the volume phase transition temperature and the addition of salt and PBS further enhances this effect.
Article
Chemistry, Physical
Ningyi Li, Junhong Li, Lijingting Qing, Shicheng Ma, Yao Li, Baohui Li
Summary: This paper investigates the self-assembly behavior of colloids with competing interactions under spherical confinement and finds that different ordered structures can be formed under different sized spherical confinements. Moreover, more perforated structures are formed in smaller spheres.