Article
Chemistry, Physical
Daniel Sucerquia, Cristian Parra, Pilar Cossio, Olga Lopez-Acevedo
Summary: Ab initio metadynamics allows for accurate extraction of free-energy landscapes and an interface for computing these landscapes and enhanced-sampling algorithms is introduced. The interface is used to estimate the free-energy landscapes of Ag-5 and Ag-6 clusters, with maximum errors of tens of meV.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Chemistry, Analytical
Martyna Jankowska, Karolina Sulowska, Kamil Wiwatowski, Joanna Niedziolka-Jonsson, Sebastian Mackowski
Summary: In this study, fluorescence microscopy was used to image protein conjugation to Ni-NTA modified silver nanowires in real time. The results showed that silver nanowires can enhance the fluorescence emission of single proteins, and real-time imaging experiments successfully observed the specific attachment of proteins to the nanowires. This study contributes to the design of a universal and efficient real-time sensing platform.
Article
Chemistry, Physical
Hengrui Ma, Zhiping Zheng, Hongsheng Zhao, Cong Shen, Hanming Chen, Huiqi Li, Zhenming Cao, Qin Kuang, Haixin Lin, Zhaoxiong Xie
Summary: By constructing trimetallic PtNiCo branched nanocages, the activity and durability of Pt-based alloy electrocatalysts in ORR and MOR have been significantly enhanced, with a 13.8- and 5.6-times improvement in specific activity compared to Pt/C. The alloying effect optimizes the electronic structure of the catalyst, leading to improved performance and CO-tolerance.
JOURNAL OF MATERIALS CHEMISTRY A
(2021)
Article
Multidisciplinary Sciences
Burak Guzelturk, Benjamin L. Cotts, Dipti Jasrasaria, John P. Philbin, David A. Hanifi, Brent A. Koscher, Arunima D. Balan, Ethan Curling, Marc Zajac, Suji Park, Nuri Yazdani, Clara Nyby, Vladislav Kamysbayev, Stefan Fischer, Zach Nett, Xiaozhe Shen, Michael E. Kozina, Ming-Fu Lin, Alexander H. Reid, Stephen P. Weathersby, Richard D. Schaller, Vanessa Wood, Xijie Wang, Jennifer A. Dionne, Dmitri Talapin, A. Paul Alivisatos, Alberto Salleo, Eran Rabani, Aaron M. Lindenberg
Summary: A study reveals that transient lattice deformations are observed in photoexcited nanocrystals, with surface deformations induced by localized charges at trap sites. The structural distortions are influenced by the excitation energy, showing different behaviors when the photon energy is above or close to the bandgap.
NATURE COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Mirko Maturi, Erica Locatelli, Letizia Sambri, Silvia Tortorella, Saso Sturm, Nina Kostevsek, Mauro Comes Franchini
Summary: Nanoparticles, particularly the AuAgNTrs, show promising potential in cancer therapy due to their ability to absorb near-infrared radiation and efficient light-to-heat conversion. The excellent photothermal performance of AuAgNTrs on cancer cells proves their viability as nanostructures for hyperthermia cancer therapy.
Article
Chemistry, Multidisciplinary
Amelia C. Y. Liu, Timothy J. Davis, Toon Coenen, Sangeetha Hari, Lenard M. Voortman, Zhou Xu, Gangcheng Yuan, Patrycja M. Ballard, Alison M. Funston, Joanne Etheridge
Summary: Waveguide modes in chemically-grown silver nanowires on silicon nitride substrates are observed using cathodoluminescence excited by high-energy electrons. The presence of a long-range, travelling surface plasmon mode modulates the coupling efficiency of incident electron energy into the nanowires, causing oscillations in the measured cathodoluminescence. The experimental data are modeled using the theory of surface plasmon polariton modes, allowing for extraction of complex mode wavenumbers and excitation strength of the long-range surface plasmon mode.
Article
Materials Science, Multidisciplinary
Siu-Wai Chan, Wenxuan Wang
Summary: Surface stress is rarely discussed in chemistry, but it is closely related to size-dependent lattice changes in nanocrystals. Different materials exhibit different surface stress behaviors with changes in crystal size, with some materials showing tensile surface stress and others showing compressive surface stress. The coordination of surface atoms and lattice-matching between surface and interior play key roles in determining surface stress in nanostructures.
MATERIALS CHEMISTRY AND PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Zhun Qiao, Hao Yang, Qikui Fan, Zhaojun Liu, Kai Liu, Zhibin Wen, Zhengyan Wang, Tao Cheng, Chuanbo Gao
Summary: A novel lattice mismatch-involved shape-control mechanism for Cu nanocrystals is reported, which can produce high-yield Cu nanoplates with tailored sizes and great potential applications. The lattice mismatch between Cu and the seed induces crystallographic defects and enables the formation of anisotropic nanocrystals. This mechanism opens up a new way for shape-controlled synthesis of Cu and other metal nanocrystals.
Article
Physics, Condensed Matter
W. Zhao, R. M. Jones, R. D'Agosta, F. Baletto
Summary: This study demonstrates that the optical properties of Au-32, Cu-32, and Ag-32 change when their fullerene structures inflate and deflate. The extinction spectra show significant differences, with a red-shift in the optical spectrum observed as the fullerenes inflate. The changes in the optical spectra cannot be solely attributed to variations in the HOMO-LUMO gap.
JOURNAL OF PHYSICS-CONDENSED MATTER
(2022)
Article
Chemistry, Multidisciplinary
Jin Kim, Sung Min Lee, Jin Seon You, Na Yeon Kim, Sanghyuk Wooh, Suk Tai Chang
Summary: Silver nanowire (AgNW) networked films with high transparency and excellent conductivity were successfully fabricated via the dewetting-driven self-assembly method. The obtained AgNW networked electrodes showed significantly lower percolation threshold and outstanding combination of sheet resistance and optical transparency, which could advance the development of next-generation transparent conducting electrodes.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2022)
Article
Chemistry, Physical
Qiwen Zhang, Haofei Wu, Senhe Huang, Xiaoran Zhao, Chen Hou, Xiaodong Zhuang, Mingliang Wang, Jiuhui Han, Qing Chen, Pan Liu
Summary: Developing cost-effective, active, and robust oxygen evolution reaction (OER) electrocatalysts in alkaline electrolytes is crucial for the efficient conversion of renewable energy resources. In this study, 3D bicontinuous Mo-doped nanoporous NiFe oxide nanowires exhibited an efficient electro-catalytic OER performance. The catalyst demonstrated exceptional activity with a low overpotential and a small Tafel slope, outperforming most of the benchmark materials.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Mechanics
Ivan Colorado Cervantes, Michele Curatolo, Paola Nardinocchi, Luciano Teresi
Summary: This study highlights the differences between growth-by-diffusion, which is based on elastic stretch, and growth-by-activity, which involves network remodeling, in polymer gels. Using a multiphysics continuum model, the study examines the interactions between mechanics, diffusion, and growth through a system of nonlinear partial differential equations. The researchers discuss the distinctions between growth-by-diffusion and growth-by-activity and demonstrate how controlling the distribution of activation sources can create a wide variety of three-dimensional shapes.
INTERNATIONAL JOURNAL OF NON-LINEAR MECHANICS
(2022)
Article
Nanoscience & Nanotechnology
Elias Z. Stutz, Simon Escobar Steinvall, Alexander P. Litvinchuk, Jean-Baptiste Leran, Mahdi Zamani, Rajrupa Paul, Anna Fontcuberta i Morral, Mirjana Dimitrievska
Summary: By analyzing the vibrational properties of tetragonally-structured Zn3P2 nanowires from experimental and theoretical perspectives, a comprehensive Raman spectrum reference for Zn3P2 has been provided. The experimental results show good agreement with first-principles calculations, indicating the potential for using vibrational patterns as a detailed reference for building Raman-based methodologies.
Article
Chemistry, Physical
Yunzhuo Zhang, Xin Li, Yue Cheng, Wenhu Tan, Xintang Huang
Summary: The silver-zinc battery shows great potential in aqueous rechargeable batteries due to its superior performance and environmental friendliness. By using Cu-supported Ag Nanowires as binder-free cathodes, high-performance rechargeable aqueous silver-zinc batteries with high areal capacity are achieved. The synergistic effect of Ag and Cu contributes to excellent Ag utilization and cycling stability, making the Cu@AgNAs1-5 cathodes attractive for large-scale energy-storage applications.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Ni Xiao, Yinan Chen, Wei Weng, Xiaopeng Chi, Hang Chen, Ding Tang, Shuiping Zhong
Summary: In this study, the regulation of aspect ratio of silver nanowires (AgNWs) in the ethylene glycol system by halogen ions was investigated. The co-addition of Br- and Cl- resulted in AgNWs with the highest aspect ratio of 1031. Surface analysis and density functional theory calculations indicated that the co-addition of Br- and Cl- enhanced the preferential growth of Ag(111) crystal plane. The results provide new insights into the morphology and size evolution during the preparation of AgNWs in the ethylene glycol system.
Article
Physics, Applied
X. Chen, J. Yvonnet, H. S. Park, S. Yao
Summary: By numerical simulations and topology optimization, it is demonstrated that piezoelectric composites have the potential for significantly large apparent converse flexoelectric properties. Both converse and higher order electromechanical coupling effects contribute strongly to the flexoelectric response and properties of these composites.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Physics, Applied
Brahmanandam Javvaji, Ranran Zhang, Xiaoying Zhuang, Harold S. Park
Summary: Atomistic simulations demonstrate that flexoelectricity can generate electricity from crumpled graphene sheets. By creating localized developable (d)-cones through indentation of circular graphene sheets, it is found that the voltage generated from crumpling graphene exceeds the expected generation by about an order of magnitude.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Physics, Multidisciplinary
Jeong-Ho Lee, Harold S. Park, Douglas P. Holmes
Summary: The study reveals that elastic instabilities play a crucial role in the morphogenesis of the eye during development, especially in the formation of the optic cup. If the optic vesicle is too slender, it may cause buckling and break axisymmetry, thus hindering normal development.
PHYSICAL REVIEW LETTERS
(2021)
Article
Chemistry, Physical
Lucia Stein-Montalvo, Jeong-Ho Lee, Yi Yang, Melanie Landesberg, Harold S. Park, Douglas P. Holmes
Summary: In this study, we demonstrate that by restricting the active area to the shell boundary, the size of the shell can be significantly reduced, resulting in a decrease in energy input required for actuation. Through theoretical simulations and experimental validation, we elucidate the underlying mechanics of snap-through and provide an intuitive route to efficient design.
EUROPEAN PHYSICAL JOURNAL E
(2022)
Review
Computer Science, Interdisciplinary Applications
Wing Kam Liu, Shaofan Li, Harold S. Park
Summary: This article presents a comprehensive historical account of the development of finite element methods, with a specific focus on developments related to solid mechanics. It provides a historical overview starting from the theoretical formulations and origins of the FEM, discussing important developments that have made the FEM the preferred numerical method for solid mechanics problems.
ARCHIVES OF COMPUTATIONAL METHODS IN ENGINEERING
(2022)
Correction
Computer Science, Interdisciplinary Applications
Wing Kam Liu, Shaofan Li, Harold S. Park
ARCHIVES OF COMPUTATIONAL METHODS IN ENGINEERING
(2023)
Article
Engineering, Multidisciplinary
N. Vu-Bac, T. Rabczuk, H. S. Park, X. Fu, X. Zhuang
Summary: In this study, a novel formulation using nonlinear kinematics and material models is proposed to couple elasticity and solvent transport in stimuli-responsive gels. The identification of external stimuli to generate specific target shapes is achieved through an inverse methodology that chemomechanically couples large deformation and mass transport. Numerical examples demonstrate the capability of identifying the required external stimuli and accurately reconstructing target shapes, including those involving elastic instabilities or softening.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2022)
Article
Engineering, Multidisciplinary
Lingxiao Yuan, Harold S. Park, Emma Lejeune
Summary: There has been an increased interest in applying data driven methods to mechanics problems, with a focus on predictive modeling and design of materials. However, traditional machine learning methods can be sensitive to data distribution shifts and violate the assumption of independent and identically distributed data. Out-of-distribution (OOD) generalization methods have been proposed to address this issue, but their performance on regression problems in mechanics is yet to be explored. This study investigates OOD generalization methods for mechanics-specific regression problems and suggests the need for more robust methods that can handle multiple OOD scenarios.
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
(2022)
Article
Multidisciplinary Sciences
Jong-Hyun Seo, Sung-Gyu Kang, Yigil Cho, Harold S. Park, Youngdong Yoo, Bongsoo Kim, In-Suk Choi, Jae-Pyoung Ahn
Summary: Buckling is a loss of structural stability, particularly in long slender structures or thin plate structures subjected to compressive forces. This study utilizes the buckling instability of Au nanowires for electrical measurement and confirms that high-strength single crystalline Au nanowires can exhibit classical Euler buckling under constant compressive force without failure. The study suggests the use of Au nanowire probes with structural instability for stable and precise electrical measurements at the nanoscale.
Article
Physics, Applied
Li-Kai Wan, Yi-Xuan Xue, Jin-Wu Jiang, Harold S. S. Park
Summary: Lateral heterostructures of graphene/hexagonal boron nitride exhibit unique electronic and optical properties, and the mechanical properties of the interface play a crucial role in their stability. Through molecular dynamics simulations and machine learning, a study on the fracture properties of the interface in these heterostructures was conducted. It was found that the shape of the interface significantly affects the fracture stress and strain, and a machine learning model was able to identify the strongest interfaces. The findings also revealed the importance of interface roughness and chemical bond strength in determining interface strength, and the correlation between fracture properties and thermal conductivity.
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Materials Science, Multidisciplinary
Mohamed Shaat, Harold S. Park
Summary: There is significant interest in studying the functionality of odd elastic solids, which are a specific class of active matter that cannot be described by a free energy function. This paper proposes the coupling of non-symmetric elasticity with chiral, nonreciprocal elasticity as a means to achieve isotropic elastic solids exhibiting non-symmetric elasticity.
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS
(2023)
Article
Materials Science, Multidisciplinary
Jeong-Ho Lee, Harold S. Park, Douglas P. Holmes
Summary: Soft matter mechanics involves finite deformations and instabilities of structures in response to mechanical and non-mechanical stimuli. Modeling plates and shells is challenging due to their nonlinear response to loads, and non-mechanical loads further complicate matters by modifying the shell's energy functional. This work demonstrates a mechanical interpretation of non-mechanical stimuli, transforming their effects into effective external loadings and enabling the use of standard analytical and computational tools. The theory is validated by benchmark problems and applied to examples such as the snapping of the Venus flytrap and leaf growth.
MATHEMATICS AND MECHANICS OF SOLIDS
(2023)
Article
Chemistry, Multidisciplinary
Lijie He, Guangming Cheng, Yong Zhu, Harold S. Park
Summary: We use a hybrid diffusion- and nucleation-based kinetic Monte Carlo model to explain the significant influence of adatom diffusion on incipient surface dislocation nucleation in metal nanowires. We discover a stress-regulated diffusion mechanism that promotes the accumulation of diffusing adatoms near nucleation sites, explaining the experimental observations of temperature-dependent nucleation strength but weak strain-rate dependence. Additionally, our model shows that a decreasing rate of adatom diffusion with increasing strain rate leads to stress-controlled nucleation becoming the dominant mechanism at higher strain rates. Overall, our model provides new mechanistic insights into how surface adatom diffusion directly affects the nucleation process and mechanical properties of metal nanowires.
Article
Engineering, Mechanical
Hai D. Huynh, Xiaoying Zhuang, Harold S. Park, S. S. Nanthakumar, Yabin Jin, Timon Rabczuk
Summary: The Willis coupling, which couples momentum to strain in elastic metamaterials, has been extensively studied for its potential in enabling novel wave propagation phenomena. Recent work has shown that the momentum can also be coupled to electrical stimulus in piezoelectric composites, resulting in a new form of electro-momentum coupling. In this study, a topology optimization approach is presented to maximize the electro-momentum coupling in piezoelectric composites, allowing for the design of composites that support novel wave phenomena excited through non-mechanical means.
EXTREME MECHANICS LETTERS
(2023)
Article
Thermodynamics
Yixuan Xue, Harold S. Park, Jin-Wu Jiang
Summary: In this study, we demonstrate that the interfacial thermal resistance in graphene/fullerene/graphene sandwiches can be switchable and show a step-like change by varying the number of fullerenes. This switchable phenomenon is achieved by a structural transition between the graphene layers. The study also shows that mechanical strain or temperature variation can achieve the same switchable effect. This work highlights the potential application of sandwich-like nanoscale heterostructures in switchable thermal devices.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)