Article
Computer Science, Interdisciplinary Applications
Alessandro Di Pretoro, Stephane Negny, Ludovic Montastruc
Summary: Supply chain optimization is an important research area that requires both optimization and flexibility. This study proposes a comprehensive procedure for flexible supply chain design by improving flexibility assessment methods and using the Traveling Deliveryman Problem as a case study.
COMPUTERS & CHEMICAL ENGINEERING
(2022)
Article
Biochemical Research Methods
Xinxin Wang, Gaudenz Danuser
Summary: Cell membranes are flexible and often undergo large-scale morphological changes, which can be modeled using mathematical representations with discrete meshes. Current meshing methodologies have limitations in either maintaining mesh geometry or physics of free energy minimization. A new method is proposed here, where mesh geometries are regulated via a free-energy-determined remeshing process to address this gap, with robustness demonstrated through reproducing morphodynamics and adaptability shown by simulating various cellular processes. The method aims to provide a more accurate and physics-based approach for studying membrane dynamics.
PLOS COMPUTATIONAL BIOLOGY
(2022)
Article
Chemistry, Physical
Pablo Miguel Ramos, Miguel Herranz, Daniel Martinez-Fernandez, Katerina Foteinopoulou, Manuel Laso, Nikos Ch. Karayiannis
Summary: This study presents extensive Monte Carlo simulations on the crystallization of athermal polymers under full confinement, analyzing the competition between bulk crystallization and surface crystallization. The research found that confinement inside a cube favors the growth of hexagonal close-packed crystals, leading to the formation of noncompact ordered motifs that grow from the surface to the inner volume of the simulation cell. Additionally, significant differences were observed between 2D and 3D crystals formed by monomeric hard spheres under the same simulation conditions.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Engineering, Marine
Dingbang Yan, Shuangxi Guo, Yilun Li, Jixiang Song, Min Li, Weimin Chen
Summary: This study examines the dynamic characteristics and response of a flexible pipe under internal flow and axially-varying tension through FEM numerical simulations. Results show significant differences in stability and response compared to a pipe with uniform tension, with the time-spatial evolution of pipe displacement exhibiting a profound wave propagation effect.
Article
Chemistry, Physical
Ruiguo Wang, Lingyun Song, Yuanqiang Guo, Junjie Kou, Hongjian Song, Yuxiu Liu, Jingjing Zhang, Qingmin Wang
Summary: Ten new nonionic fluorinated surfactants with various hydrophilic and hydrophobic chain lengths were synthesized in this study. The main determinants of surface tension were found to be mPEG molecular weight and the number of fluorocarbon atoms, with diffusivity decreasing with increasing number of fluorocarbon atoms but increasing with increasing mPEG molecular weight. Surfactant Si showed the best performance, lowering the surface tension of water to 17.89 mN/m.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Biplab Manna, Mizuki Asami, Nobuhiko Hosono, Takashi Uemura
Summary: This study presents a method for microstructure recognition of polymers using nanopores of a flexible metal-organic framework crystal. The method enables selective adsorption and separation of polymers, as well as determination of multiple parameters of their microstructure, providing a useful tool for material chemistry and information chemistry.
Article
Plant Sciences
Raquel Benavides, Barbara Carvalho, Silvia Matesanz, Cristina C. Bastias, Stephen Cavers, Adrian Escudero, Patrick Fonti, Elisabet Martinez-Sancho, Fernando Valladares
Summary: Research reveals that functional trait covariation in plants increases under harsher conditions, indicating a potential adaptive role in responding to different environments.
JOURNAL OF ECOLOGY
(2021)
Article
Physics, Multidisciplinary
J. G. Vilhena, Remy Pawlak, Philipp D'Astolfo, Xunshan Liu, Enrico Gnecco, Marcin Kisiel, Thilo Glatzel, Ruben Perez, Robert Haener, Silvio Decurtins, Alexis Baratoff, Giacomo Prampolini, Shi-Xia Liu, Ernst Meyer
Summary: A combination of low temperature atomic force microscopy and molecular dynamics simulations showed that soft designer molecules exhibit a sidewinding motion on a gold surface. The flexibility of these molecules allows for a lowered diffusion energy barrier and results in ultralow friction.
PHYSICAL REVIEW LETTERS
(2022)
Article
Chemistry, Physical
Mohd Ilyas Bhat, Prerna Sharma, T. G. Sitharam, Tejas G. Murthy
Summary: This study investigates the mechanics of standing columns formed during the repose of flexible granular chains. By simulating experiments and evaluating various parameters, it is found that the links connecting the particles provide lateral stability to the column, enabling it to stand. In addition, a self-confining radial stress near the base of the column generated by the rearrangement of contact forces also plays an important role.
Article
Chemistry, Physical
Norio Saito, Sekito Itoyama, Rieko Takahashi, Yutaka Takahashi, Yukishige Kondo
Summary: This study investigated hybrid surfactants containing alkyl and fluoroalkyl chains, finding them to be superhydrophobic and capable of switching surface activity with an external light source. Experiments showed that compositions with octyl-fluorocarbon chains exhibited higher surface tension variation, indicating promising applications.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Psychology, Multidisciplinary
Liqun Jiang, Zhiyuan Pan, Yunshi Luo, Ziyan Guo, Deqiang Kou
Summary: Flexible work arrangements (FWA) are an efficient means of coping with a dynamic and competitive business environment. This study empirically examines the influence of FWA on knowledge employees' innovation behavior, using a self-determination theory and a moderated mediation model. The findings show that FWA can activate innovation behavior, with thriving at work playing a partial mediating role and human resource policies facilitating opportunities having a positive moderating effect. These findings fill a theoretical research gap and provide insights for managers on implementing FWA to promote the innovative behavior of knowledge employees.
FRONTIERS IN PSYCHOLOGY
(2023)
Article
Polymer Science
Zhi-Chao Yan, Yanan Li, Zhenfeng Guo, Akira Shinohara, Takashi Nakanishi, Guangming Chen, Chengjun Pan, Florian J. Stadler
Summary: This study examines the linear viscoelasticity of viscoelastic conjugated polymers based on dialkyl-fluorene and dialkoxybenzene over a wide temperature range. Three dynamic transition temperatures are identified and attributed to different parts of the polymer structure. The findings suggest that the properties of different components of the polymer exhibit distinct behaviors under varying temperature conditions.
Article
Engineering, Marine
Mingxiao Xie, Shan Li, Yu Mu, Yanjie Wei, Tiaojian Xu, Zhenxiang Sun, Chunguang Yuan
Summary: The flexible trash intercept is an important barrier for coastal power plants to prevent marine trash intrusion. Experimental tests have been conducted to study the mooring dynamic response of a typical planar net under different wave-current combinations. The results showed that the total tension of mooring lines had an exponential relationship with the net Reynolds number in a current-only environment. Under wave-current combined actions, the mooring line tension responded simultaneously with the instantaneous velocity. An empirical expression for the maximum mooring line tension under wave-current combined actions was established by decomposing the combined velocity into three components. Results also indicated that the top lines and beam lines bore the majority of the total tension, and the blocking rate of the net greatly affected the mooring dynamics.
Article
Computer Science, Information Systems
Junte Ma, Sihao Xie, Jin Zhao
Summary: A high-performance and flexible SFC system called P4SFC is presented in this paper, which leverages the capability of emerging programmable switches to accelerate packet processing. By offloading proper network functions to P4-capable switches, the performance penalty introduced by software-based NFs can be reduced. P4SFC includes a dynamic P4 data plane that allows runtime reconfiguration of execution logic and a state allocator that efficiently utilizes limited memory in programmable switches for NF state offloading. Experimental results demonstrate significant performance improvement for real SFC implementations with P4SFC.
IEEE TRANSACTIONS ON SERVICES COMPUTING
(2023)
Article
Chemistry, Multidisciplinary
Hung V. -T. Nguyen, Yivan Jiang, Somesh Mohapatra, Wencong Wang, Jonathan C. Barnes, Nathan J. Oldenhuis, Kathleen K. Chen, Simon Axelrod, Zhihao Huang, Qixian Chen, Matthew R. Golder, Katherine Young, Dylan Suvlu, Yizhi Shen, Adam P. Willard, Michael J. A. Hore, Rafael Gomez-Bombarelli, Jeremiah A. Johnson
Summary: This study synthesized water-soluble chiral bottlebrush polymers using macromonomers of different rigidity, and discovered that polymers with conformationally flexible mirror image side chains exhibited significant differences in properties compared to those with comparably rigid mirror image side chains. The observations were rationalized by correlating greater conformational freedom with enhanced chiral recognition, providing insights for the design of future biomaterials.
Article
Chemistry, Multidisciplinary
Jan-Michael Y. Carrillo, Zhan Chen, Uvinduni I. Premadasa, Christian Steinmetz, E. Bryan Coughlin, Benjamin Doughty, Thomas P. Russell, Bobby G. Sumpter
Summary: By conducting experimental and simulation studies, this research addresses the issues of assembly, reconfiguration, and equilibrium conformation of charged star block copolymers at the oil-water interface, with implications for the development of novel surfactants or amphiphiles.
Article
Physics, Multidisciplinary
Maxim O. Lavrentovich, Dima Bolmatov, Jan-Michael Y. Carrillo
Summary: Using molecular dynamics simulations, the researchers studied a driven, nonadditive binary mixture of spherical particles in a two-dimensional explicit solvent. They found that without a drive, the mixture phase separates and coarsens with an Ising-like conserved dynamics. However, when a drive is applied, coarsening is arrested and large density fluctuations occur, with domains of characteristic size forming. The researchers also discovered that these domains are anisotropic and can be oriented parallel or perpendicular to the drive direction. They emphasize the importance of introducing explicit solvent particles to break the Galilean invariance of the system.
NEW JOURNAL OF PHYSICS
(2023)
Article
Chemistry, Physical
Abash Sharma, Yu Zhu, Eric J. Spangler, Jan-Michael Y. Carrillo, Mohamed Laradji
Summary: This study investigates the adhesion and endocytosis modes of two spherocylindrical nanoparticles (SCNPs) on planar and tensionless lipid membranes through systematic molecular dynamics simulations. The results show that under weak adhesion energy, the SCNPs adhere to the membrane individually in a parallel mode. As the adhesion energy increases, the SCNPs form wedged dimers with an obtuse angle between their major axes. The final adhesion state and endocytosis mode of the SCNPs are strongly influenced by their initial distance and the value of adhesion energy.
Article
Polymer Science
Michael Jacobs, Yuan Tian, Andrey V. Dobrynin
Summary: We investigated the equilibrium swelling of brush gels experiencing large uniaxial deformations in contact with solvent. Our study revealed that the swelling ratio of the brush gels, Qeq(A), which describes the change in volume upon swelling, is a nonmonotonic function of the gel uniaxial deformation ratio A. The behavior of Qeq(A) is a result of the optimization of polymer/solvent interactions and conformational entropy of brush strands in the nonlinear deformation regime. The location of the maximum in the Qeq(A) function is directly related to the value of the strain-stiffening parameter fi.
Article
Polymer Science
Anish Gulati, Michael Jacobs, Carlos G. Lopez, Andrey V. Dobrynin
Summary: We studied the viscosity of semidilute aqueous solutions of sodium polystyrenesulfonate as a function of polymer and salt concentrations. The viscosity data were quantified by applying a scaling relationship between solution correlation length and number of monomers for chains with monomer projection length. The specific values of the B-parameter were determined by various factors such as the fraction of charged monomers, the effective solvent quality, the chain Kuhn length, and the monomer-solvent interactions. The values of the B-parameters were obtained from the plateaus of normalized specific viscosity as a function of monomer concentration.
Article
Polymer Science
Andrey V. Dobrynin, Ryan Sayko, Ralph H. Colby
Summary: Viscosity analysis is a valuable technique for polymer characterization. This study proposes a new method to determine the molecular weight of polymers by representing the solution-specific viscosity as a generalized universal function of chain overlap concentration.
Article
Materials Science, Multidisciplinary
Chi-Huan Tung, Shou-Yi Chang, Ming-Ching Chang, Jan-Michael Carrillo, Bobby Sumpter, Changwoo Do, Wei-Ren Chen
Summary: A machine learning solution is proposed to solve the potential inversion problem in elastic scattering. The proposed solution consists of a generative network using a variational autoencoder to extract the targeted static two-point correlation functions from experimentally measured scattering cross sections, and a Gaussian process framework for probabilistically inferring the relevant structural parameters. A case study on charged colloidal suspensions is used to critically evaluate the feasibility of this approach for quantitative study of molecular interaction and demonstrate its advantages over existing deterministic approaches in terms of numerical accuracy and computational efficiency.
Article
Nanoscience & Nanotechnology
Haden L. Scott, Dima Bolmatov, Uvinduni I. Premadasa, Benjamin Doughty, Jan-Michael Y. Carrillo, Robert L. Sacci, Maxim Lavrentovich, John Katsaras, Charles P. Collier
Summary: Phospholipid bilayers can act as voltage-dependent memory capacitors, storing energy in the form of long-term potentiation (LTP) during training. LTP is caused by membrane restructuring and asymmetric ion distribution. Different salts have varying effects on LTP.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Nanoscience & Nanotechnology
Mitchell R. Maw, Alexander K. Tanas, Erfan Dashtimoghadam, Evgeniia A. Nikitina, Dimitri A. Ivanov, Andrey V. Dobrynin, Mohammad Vatankhah-Varnosfaderani, Sergei S. Sheiko
Summary: Hot-melt pressure-sensitive adhesives (HMPSAs) are widely used in various applications and often contain large quantities of plasticizers and tackifiers to enhance adhesive performance. This study introduces an alternative additive-free approach to HMPSA design using self-assembled bottlebrush graft-copolymers, which maintain the moldability of traditional thermoplastic elastomers while providing benefits such as extreme softness for substrate wetting, low melt viscosity for molding and 3D-printing, and a wide range of viscoelastic responses. The graft-copolymers have five independently controlled architectural parameters that regulate the adhesive properties.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Polymer Science
Zilu Wang, Yuan Tian, Andrey V. Dobrynin
Summary: This research focuses on the swelling and deformation of polyelectrolyte gels. It is found that the swelling ratio of polyelectrolyte gels first increases and then decreases with increasing deformation ratio. The location of the maximum swelling ratio shifts towards larger deformations with increasing salt concentration and decreasing fraction of charged groups.
Article
Chemistry, Physical
Andrey V. Dobrynin, Yuan Tian, Michael Jacobs, Evgeniia A. Nikitina, Dimitri A. Ivanov, Mitchell Maw, Foad Vashahi, Sergei S. Sheiko
Summary: Our lives rely heavily on polymer networks, from synthetic rubber to biological tissues. However, the internal structure of these networks has remained a mystery since the discovery of rubber vulcanization in 1839. In this study, the authors developed a forensic approach to decode the network structure by analyzing its nonlinear mechanics, allowing for quality control in network synthesis and classification based on stress distribution effectiveness. This is a crucial step towards implementing artificial intelligence principles for soft matter design.
Article
Nanoscience & Nanotechnology
Mitchell R. Maw, Alexander K. Tanas, Erfan Dashtimoghadam, Evgeniia A. Nikitina, Dimitri A. Ivanov, Andrey V. Dobrynin, Mohammad Vatankhah-Varnosfaderani, Sergei S. Sheiko
Summary: Hot-melt pressure-sensitive adhesives (HMPSAs) are widely used materials in various applications. The traditional formulation of HMPSAs involves the use of thermoplastic elastomers with added plasticizers and tackifiers. However, this study presents an alternative additive-free approach using bottlebrush graft-copolymers that exhibit self-assembly properties and can regulate the adhesive performance through five architectural parameters.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Mitchell Maw, Erfan Dashtimoghadam, Andrew N. Keith, Benjamin J. Morgan, Alexander K. Tanas, Evgeniia Nikitina, Dimitri A. Ivanov, Mohammad Vatankhah-Varnosfaderani, Andrey V. Dobrynin, Sergei S. Sheiko
Summary: In this study, a precise additive-free platform for pressure sensitive adhesive (PSA) design was developed. By utilizing the unique properties of brush-like elastomers, a wide range of adhesion force was achieved with a single polymer chemistry. This approach will be essential for the future implementation of AI technology in molecular engineering of PSAs.
ACS CENTRAL SCIENCE
(2023)
Article
Chemistry, Physical
Yu Zhu, Abash Sharma, Eric J. Spangler, Jan-Michael Y. Carrillo, P. B. Sunil Kumar, Mohamed Laradji
Summary: Highly ordered self-assemblies of nanoparticles can be obtained through their adhesion to lipid vesicles, forming polyhedra structures including deltahedra and Platonic solids. This self-assembly is mediated by curvature-mediated repulsion between nanoparticles and the number of nanoparticles adhering to the lipid vesicles.
Article
Multidisciplinary Sciences
Samantha M. Mcdonald, Quansan Yang, Yen-Hao Hsu, Shantanu P. Nikam, Ziying Hu, Zilu Wang, Darya Asheghali, Tiffany Yen, Andrey V. Dobrynin, John A. Rogers, Matthew L. Becker
Summary: The authors report succinate-based copolyesters with barrier properties that can extend the functional lifetime of resorbable bioelectronic devices.
NATURE COMMUNICATIONS
(2023)