Article
Chemistry, Multidisciplinary
Anil Kumar Singh, Sudipto Chakrabarti, Ayelet Vilan, Alexander Smogunov, Oren Tal
Summary: In this study, a diverse family of bimetallic atomic contacts is demonstrated to be fabricated in break-junction setups, and the structure and material composition of these contacts can be controlled by atomically precise electromigration. The versatile nature of atomic contacts in bimetallic junctions and the ability to control their structure by electromigration can be used to expand the structural variety and property range of atomic and molecular junctions.
Article
Astronomy & Astrophysics
B. Remy, F. Lanusse, N. Jeffrey, J. Liu, J. -l. Starck, K. Osato, T. Schrabback
Summary: This study introduces a novel methodology that efficiently samples the high-dimensional Bayesian posterior of weak lensing mass-mapping problem, using a non-Gaussian prior based on simulations. The results demonstrate that the proposed method outperforms previous algorithms in terms of root-mean-square error and Pearson correlation, and successfully reconstructs the highest-quality convergence map of the HST/ACS COSMOS field.
ASTRONOMY & ASTROPHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Hannah M. Johnson, Acacia M. Dasher, Madison Monahan, Soenke Seifert, Liane M. Moreau
Summary: Bimetallic nanoparticles have tunable hybrid properties. This study investigates the effect of reduction parameters on the atomic scale alloy distributions within AgAu nanoparticles. The results suggest that reduction parameters can affect the local alloy distributions and homogeneity within bimetallic nanoparticles.
Article
Chemistry, Physical
Souvik Sahoo, Olivia Licata, Baishakhi Mazumder, Shibayan Roy
Summary: This study investigates the spatial distributions of substitutional alloying elements and interstitial impurities in Ti-6Al4V and Ti-6Al-4V-0.1B alloys on a near atomic scale. The results reveal that aluminum and vanadium atoms enrich alpha and beta phases, respectively, due to partitioning effects between these phases. Oxygen atoms preferentially distribute within the alpha phase alongside other interstitial impurities, while vanadium atoms reside near impurity-rich regions in both alloys. Size differences and lattice distortions are held responsible for the observed atomic scale elemental distributions and interrelations within the alpha phase.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Engineering, Environmental
Thomas Krumpolc, D. W. Trahan, D. A. Hickman, L. T. Biegler
Summary: Applications of fixed-effects models for kinetic parameter estimation assume independence among batches, but biased residuals often exist in multiple longitudinal batch experiments with time series data. Nonlinear mixed-effects models provide an alternative approach to address the two types of random experimental variation resulting from longitudinal experiments: measurement error for each data point and random batch-to-batch variation. In our case study, implementing a mixed-effects model using nonlinear programming for a batch reactor system yields parameter estimates with less bias compared to a fixed-effects model. Additionally, the Bayesian notion of probability shares is applied to discriminate between several candidate mixed-effects models, demonstrating the ability to elucidate additional model information when fixed-effects models are inappropriate.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Computer Science, Information Systems
H. Unozkan
Summary: This paper introduces a method for improving parameter estimation in statistical models by estimating parameters from other statistical distributions, which increases the success rate of the models.
Article
Engineering, Electrical & Electronic
Xinyu Huang, Yuting Fang, Nan Yang
Summary: This survey paper focuses on estimation schemes in molecular communication systems, including parameter estimation and channel estimation. A comprehensive survey on distance estimation, as well as estimation of other parameters and channel estimation, is presented for the first time. The paper also examines noise impact and performance evaluation metrics, and provides numerical results comparing the performance of different distance estimation schemes. Future research directions in parameter estimation and channel estimation are identified and discussed.
DIGITAL SIGNAL PROCESSING
(2022)
Article
Geochemistry & Geophysics
Manuel J. Aguilar-Velazquez, Nelson Alejandro Gil-Vargas, Xyoli Perez-Campos, Marcela Baena-Rivera, Leonardo Ramirez-Guzman
Summary: This study introduces geostatistical techniques for estimating dispersion curves, using stacking and group-velocity mapping methods. By obtaining group-velocity fundamental mode dispersion curves from seismic noise correlation and comparing them with results from fast marching tomography, it is found that the proposed methodologies provide similar outcomes.
GEOPHYSICAL JOURNAL INTERNATIONAL
(2022)
Article
Materials Science, Multidisciplinary
Y-M Kim, K. H. Lee, L. Fu, M-W Oh, S-H Yang, S. Ning, G. Han, M. Y. Kim, J-S Kim, M. Jeong, J. Jang, E. Lee, E. Okunishi, H. Sawada, S- Kim, S. J. Pennycook, Y. H. Lee, S. W. Kim
Summary: Using advanced X-ray spectroscopy, excess Cu doping behavior in ternary Bi2Te2.7Se0.3 bulk alloy is visualized with unprecedented detectability. The study sheds light on the influence of Cu dopants on the properties of materials, potentially impacting the understanding of quantum phenomena in doped nanomaterials and doped topological insulators.
MATERIALS TODAY PHYSICS
(2021)
Article
Astronomy & Astrophysics
Nicolas Chartier, Benjamin D. Wandelt
Summary: The study proposes a new method to address the challenge of estimating the covariance matrix Sigma with a large number of simulations. By combining a small number of simulations with fast surrogates, the method obtains low-noise estimates of Sigma that are unbiased by construction. The numerical examples show significant variance reductions for different elements of the matter power spectrum covariance matrix using this method.
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
(2022)
Article
Multidisciplinary Sciences
Eline M. J. Hartman, Giuseppe De Nisco, Frank J. H. Gijsen, Suze-Anne Korteland, Anton F. W. van der Steen, Joost Daemen, Jolanda J. Wentzel
Summary: Wall shear stress (WSS) plays a crucial role in atherosclerotic plaque development, with low WSS being associated with plaque growth. Previous research used different approaches to define low WSS and investigate its effect on plaque progression. This study used multiple methodologies to allocate low, mid, and high WSS in human coronary arteries, revealing challenges in using absolute thresholds to determine regions at high risk for plaque progression.
SCIENTIFIC REPORTS
(2021)
Article
Nanoscience & Nanotechnology
Somnath Mahato, Arup Ghorai, Ajoy Mondal, Sanjeev Kumar Srivastava, Mantu Modak, Shreyasi Das, Samit K. Ray
Summary: Colloidal synthesized cubic alpha-CsPbI3 perovskite nanocrystals with smaller lattice constant and their nanoscale surface mapping have shown superior photovoltaic performance. Atomic scale transmission electron microscopy has been used to probe the precise arrangement of atoms in the nanocrystals, and theoretical calculations reveal the realization of direct band to band transition with a lower band gap. Nanoscale surface mapping and conductive atomic force microscopy have been employed to study the films deposited on different layers, and the carrier transport through grain interiors and boundaries has been investigated. Inverted perovskite solar cells using alpha-CsPbI3 as an absorber layer have achieved high power conversion efficiency, showing potential for future photovoltaic devices.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Engineering, Electrical & Electronic
Yuxing Lin, Shi Jin, Michail Matthaiou, Xiaohu You
Summary: This paper discusses the problems of channel estimation and environment mapping in multiple-input multiple-output orthogonal frequency division multiplexing systems with intelligent reconfigurable surfaces (IRS). By proposing a novel three-dimensional conformal IRS architecture and utilizing tensor techniques and nonlinear system solvers, the proposed methods can accurately recover channel state information and provide high-resolution environment mapping.
IEEE TRANSACTIONS ON COMMUNICATIONS
(2022)
Article
Green & Sustainable Science & Technology
Akhilesh Prakash Gupta, A. Mohapatra, S. N. Singh
Summary: An efficient and simple DFIG-based model for wind farms is proposed, which eliminates the need for rotor measurements and uses voltage and current measurements at the PCC for dynamic parameter evaluation. Additionally, a Y-bus based reduction method for equivalent collector system impedance is suggested to improve computational efficiency.
Article
Neurosciences
Siawoosh Mohammadi, Tobias Streubel, Leonie Klock, Luke J. Edwards, Antoine Lutti, Kerrin J. Pine, Sandra Weber, Patrick Scheibe, Gabriel Ziegler, Juergen Gallinat, Simone Kuehn, Martina F. Callaghan, Nikolaus Weiskopf, Karsten Tabelow
Summary: This study introduces a new method to estimate noise and artefacts in neuroimaging, improving the accuracy of Multi-Parameter Mapping (MPM). They found that the model-based signal-to-noise ratio (mSNR) is linearly correlated with the raw image-based SNR, and that mSNR varies with MPM protocols, magnetic field strength, and MPM parameters. They also generated robust MPM parameters by accounting for measurement errors, reducing variability at the group level as compared to single-repeat or averaged counterparts.
Article
Chemistry, Multidisciplinary
Bing Ni, Mikhail Mychinko, Sergio Gomez-Grana, Jordi Morales-Vidal, Manuel Obelleiro-Liz, Wouter Heyvaert, David Vila-Liarte, Xiaolu Zhuo, Wiebke Albrecht, Guangchao Zheng, Guillermo Gonzalez-Rubio, Jose M. Taboada, Fernando Obelleiro, Nuria Lopez, Jorge Perez-Juste, Isabel Pastoriza-Santos, Helmut Coelfen, Sara Bals, Luis M. Liz-Marzan
Summary: A chiral growth method using cysteine as a dissymmetry inducer was developed to prepare gold nanorods with twisted morphology. Electron microscopy analysis suggests that the dissymmetry is caused by the development of chiral facets on the initial nanorods, resulting in a twisted shape. Cysteine plays a crucial role in assisting the enantioselective facet evolution, leading to the formation of highly chiral morphology with significant plasmonic optical activity.
ADVANCED MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Annelies De Wael, Annick De Backer, Chu-Ping Yu, Duygu Gizem Sentuerk, Ivan Lobato, Christel Faes, Sandra Van Aert
Summary: This paper introduces a statistical method to count the number of atoms in ADF STEM images and discusses how to represent the counting results together with their statistical error. Three approaches are presented and their suitability for further use is evaluated based on simulations and experimental images.
MICROSCOPY AND MICROANALYSIS
(2023)
Article
Chemistry, Multidisciplinary
Camino Martin-Sanchez, Ana Sanchez-Iglesias, Jose Antonio Barreda-Argueso, Alain Polian, Luis M. Liz-Marzan, Fernando Rodriguez
Summary: The mechanical properties and stability of metal nanoparticle colloids under high-pressure conditions are investigated using optical extinction spectroscopy and small-angle X-ray scattering (SAXS). SAXS allows in situ monitoring of the structural evolution of nanoparticles induced by pressure, including nanoparticle size, shape, and aggregation. The differences in behavior observed under hydrostatic and nonhydrostatic conditions are explained in terms of liquid solidification processes leading to nanoparticle aggregation. The impact of nanoparticle shape on the aggregation process is also discussed.
Review
Chemistry, Physical
Nadesh Fiuza-Maneiro, Kun Sun, Iago Lopez-Fernandez, Sergio Gomez-Grana, Peter Muller-Buschbaum, Lakshminarayana Polavarapu
Summary: Lead halide perovskite nanocrystals (LHP NCs) are semiconductor materials with exceptional optical and optoelectronic properties. The surface chemistry, including ligands and surface termination, plays a crucial role in determining the optical and optoelectronic performance as well as the colloidal stability of LHP NCs. Functionalization of the surface with desired molecules can induce new functionalities, such as photocatalysis and chirality. This review provides an atomic view of the surface chemistry of colloidal LHP NCs, including crystal termination, vacancies, and different types of capping ligands, and discusses the ligand-induced functionalities.
ACS ENERGY LETTERS
(2023)
Review
Chemistry, Multidisciplinary
Leonardo Scarabelli, Muhua Sun, Xiaolu Zhuo, Sungjae Yoo, Jill E. Millstone, Matthew R. Jones, Luis M. Liz-Marzan
Summary: In this review, recent progress in the solution-phase growth of colloidal plate-like metal nanoparticles, including plasmonic and other metals, is summarized. Mechanistic insights for different synthetic strategies, the crystallographic habits of different metals, and the use of nanoplates as scaffolds for the synthesis of other derivative structures are emphasized. Representative self-assembly techniques and the attractive properties and unique versatility of the 2D morphology are highlighted. Existing challenges and future perspectives for plate-like metal nanomaterials are also discussed.
Article
Chemistry, Physical
Safiyye Kavak, Ajinkya Anil Kadu, Nathalie Claes, Ana Sanchez-Iglesias, Luis M. Liz-Marzan, Kees Joost Batenburg, Sara Bals
Summary: In this study, a method for automating the volumetric segmentation process applied to three-dimensional reconstructions of nanoparticle assemblies is proposed. The performance of different automated segmentation methods in accurately extracting quantitative descriptors for morphological characterization is evaluated. The results show that the spherical Hough transform exhibits superior performance in accurately extracting quantitative descriptors, allowing for an objective, efficient, and reliable volumetric segmentation of complex nanoparticle assemblies.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Jack L. Eatson, Jacob R. Gordon, Piotr Cegielski, Anna L. Giesecke, Stephan Suckow, Anish Rao, Oscar F. Silvestre, Luis M. Liz-Marzan, Tommy S. Horozov, D. Martin A. Buzza
Summary: The unique behavior of colloids at liquid interfaces provides exciting opportunities for engineering the assembly of colloidal particles into functional materials. The deformable nature of fluid-fluid interfaces enables the utilization of interfacial curvature to direct self-assembly. The study utilizes a finite element method to investigate the self-assembly of rod-shaped particles adsorbed at a curved fluid-fluid interface. The findings demonstrate that the curved interface effectively controls the orientation of the rods and allows for the manipulation of single and multiple rod-like particles for the organization of functional materials.
Article
Chemistry, Multidisciplinary
Javier Plou, Pablo S. Valera, Isabel Garcia, David Vila-Liarte, Carlos Renero-Lecuna, Jesus Ruiz-Cabello, Arkaitz Carracedo, Luis M. Liz-Marzan
Summary: During the response to stress, damaged cells release metabolites and secretomes, which can be utilized in anticancer therapies and biomarker predictions. However, monitoring these processes is challenging, leading to the development of noninvasive secretome screening tools. Machine learning methods and microfluidic chips were used to identify secretome variations and classify cell death, allowing for faster implementation of surface-enhanced Raman scattering (SERS) into cell secretome classification.
Article
Microscopy
A. De Backer, S. Bals, S. Van Aert
Summary: This paper provides an overview of the atom-counting methodology and its applications in the past decade. The detailed procedure to count the number of atoms is discussed, along with methods to improve its performance. Furthermore, advancements in mixed element nanostructures, 3D atomic modeling based on atom-counting results, and quantification of nanoparticle dynamics are highlighted.
Article
Materials Science, Multidisciplinary
Manuel Obelleiro-Liz, Victor F. Martin, Diego M. Solis, Jose M. Taboada, Fernando Obelleiro, Luis M. Liz-Marzan
Summary: Chiral metal nanoparticles can induce and harness optical activity, but there is limited control over their morphological detail and resulting optical activity due to incomplete knowledge of growth mechanisms. This study uses computer-aided design and simulations to analyze the influence of structural changes on the plasmonic circular dichroism spectra of rod-shaped gold nanoparticles. Interesting patterns in plasmon-mediated resonant behavior are identified, which can guide the understanding and fabrication of these nanoparticles for applications such as spectroscopic detection and surface-enhanced Raman optical activity.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Evgenii Vlasov, Alexander Skorikov, Ana Sanchez-Iglesias, Luis M. Liz-Marzan, Johan Verbeeck, Sara Bals
Summary: Electron tomography (ET) is a powerful tool for determining the 3D structure of nanomaterials, but it is time-consuming. Surface-sensitive secondary electron (SE) imaging, using the SE electron beam induced current (SEEBIC) technique, is proposed as an alternative to ET for studying nanomaterial morphology. SEEBIC imaging provides valuable information with high spatial resolution and shorter throughput times compared to ET. The contrast formation mechanisms that aid in interpreting SEEBIC data are also discussed.
ACS MATERIALS LETTERS
(2023)
Editorial Material
Chemistry, Multidisciplinary
Warren C. W. Chan, Natalie Artzi, Chunying Chen, Xiaodong Chen, Dean Ho, Tony Hu, Kazunori Kataoka, Luis M. Liz-Marzan, Rahmi Oklu, Wolfgang J. Parak
Article
Chemistry, Multidisciplinary
Kyle Van Gordon, Sandra Baulde, Mikhail Mychinko, Wouter Heyvaert, Manuel Obelleiro-Liz, Alejandro Criado, Sara Bals, Luis M. Liz-Marzan, Jesus Mosquera
Summary: The concentration of the chiral inducer can control the chiral morphology and chiroptical properties of gold nanomaterials, offering potential for advancements in biosensing and nano-optics.
Article
Chemistry, Multidisciplinary
Carla Estevez-Varela, Sara Nunez-Sanchez, Paula Pineiro-Varela, Dorleta Jimenez de Aberasturi, Luis M. Liz-Marzan, Jorge Perez-Juste, Isabel Pastoriza-Santos
Summary: Plexcitonic nanoparticles, which exhibit strong light-matter interactions, have been investigated using UV-visible and SERS spectroscopies, supported by FDTD calculations in this study. The combination of plasmonic nanomaterials and J-aggregates is found to be crucial, with the refractive index contrast between water and the TDBC shell playing a significant role in the observed SERS efficiency.
