jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Joel V. Bernier | Robert M. Suter | Anthony D. Rollett | Jonathan Almer
Source: Annual Review of Materials Research (article, 2020-07-01)
Field: Materials Science — Materials Chemistry

High-Energy X-Ray Diffraction Microscopy in Materials Science High-energy diffraction microscopy (HEDM) is an implementation of three-dimensional X-ray diffraction microscopy. HEDM yields maps of internal crystal orientation fields, strain states, grain shapes and locations as well as intragranular orientation distributions, and grain boundary character. Because it is nondestructive in hard materials, notably metals and ceramics, HEDM has been used to study responses of these materials to external fields including high temperature and mechanical loading. Currently available sources and detectors lead to a spatial resolution of ∼1 μm and an orientation resolution of &lt;0.1 ○ . With the penetration characteristic of high energies ( E ≥ 50 keV), sample cross-section dimensions of ∼1 mm can be studied in materials containing elements across much of the Periodic Table. This review describes hardware and software associated with HEDM as well as examples of applications. These applications include studies of grain growth, recrystallization, texture development, orientation gradients, deformation twinning, annealing twinning, plastic deformation, and additive manufacturing. We also describe relationships to other X-ray-based methods as well as prospects for further development. Crystal twinning ; Materials science ; Diffraction ; Recrystallization (geology) ; Microscopy ; Grain boundary ; Slip (aerodynamics) ; Crystallography ; Optics ; Composite material ; Microstructure ; Physics ; Chemistry ; Geology X-ray Diffraction in Crystallography ; Microstructure and mechanical properties ; High-pressure geophysics and materials
Authors: Chang Hu | Xianjie Wang | Bo Song
Source: Light Science & Applications (review, 2020-05-20)
Field: Materials Science — Materials Chemistry

High-performance position-sensitive detector based on the lateral photoelectrical effect of two-dimensional materials Two-dimensional (2D) materials such as graphene and transition-metal chalcogenides have been extensively studied because of their superior electronic and optical properties. Recently, 2D materials have shown great practical application in position-sensitive detectors (PSDs), originating from the lateral photoelectrical effect of the materials or junctions. The high position sensitivity and ultrafast photoresponse of PSDs based on 2D materials, especially compatibility with Si technology, may enable diverse optoelectronic applications. In this review, recent studies of PSDs based on 2D materials are summarized, providing a promising route for high-performance PSDs. Detector ; Optoelectronics ; Optics ; Position (finance) ; Materials science ; Photodetector ; Computer science ; Physics 2D Materials and Applications ; Gas Sensing Nanomaterials and Sensors ; Ga2O3 and related materials
Authors: Daniel Hauser | Dedy Septiadi | Joel G. Turner | Alke Petri‐Fink | Barbara Rothen‐Rutishauser
Source: Materials (review, 2020-04-07)
Field: Materials Science — Surfaces, Coatings and Films

From Bioinspired Glue to Medicine: Polydopamine as a Biomedical Material Biological structures have emerged through millennia of evolution, and nature has fine-tuned the material properties in order to optimise the structure-function relationship. Following this paradigm, polydopamine (PDA), which was found to be crucial for the adhesion of mussels to wet surfaces, was hence initially introduced as a coating substance to increase the chemical reactivity and surface adhesion properties. Structurally, polydopamine is very similar to melanin, which is a pigment of human skin responsible for the protection of underlying skin layers by efficiently absorbing light with potentially harmful wavelengths. Recent findings have shown the subsequent release of the energy (in the form of heat) upon light excitation, presenting it as an ideal candidate for photothermal applications. Thus, polydopamine can both be used to (i) coat nanoparticle surfaces and to (ii) form capsules and ultra-small (nano)particles/nanocomposites while retaining bulk characteristics (i.e., biocompatibility, stability under UV irradiation, heat conversion, and activity during photoacoustic imaging). Due to the aforementioned properties, polydopamine-based materials have since been tested in adhesive and in energy-related as well as in a range of medical applications such as for tumour ablation, imaging, and drug delivery. In this review, we focus upon how different forms of the material can be synthesised and the use of polydopamine in biological and biomedical applications. Materials science ; Biocompatibility ; Nanotechnology ; Photothermal therapy ; Coating ; Adhesive ; Nanoparticle ; Drug delivery ; Surface modification ; Adhesion ; Chemical engineering ; Composite material Polymer Surface Interaction Studies ; Electrospun Nanofibers in Biomedical Applications ; Surface Modification and Superhydrophobicity
Authors: Miguel Rivera‐Torrente | Laurens D. B. Mandemaker | Matthias Filez | Guusje Delen | Beatriz Seoane | Florian Meirer | Bert M. Weckhuysen
Source: Chemical Society Reviews (review, 2020-01-01)
Field: Chemistry — Inorganic Chemistry

Spectroscopy, microscopy, diffraction and scattering of archetypal MOFs: formation, metal sites in catalysis and thin films Metal-organic frameworks (MOFs) are a class of porous crystalline materials showing great potential for applications such as catalysis, gas storage, molecular separations, energy storage and drug delivery. The properties that render them interesting stem from their structure (e.g. morphology, porosity or metal coordination and geometry). Thus, gaining a deeper understanding strongly relies on the availability and adequate use of advanced characterization tools, which can interrogate MOFs under realistic synthesis as well as catalysis (or sorption) conditions. Herein, we present an overview of the various characterization techniques specifically suitable for the study on the underlying chemistry of the formation mechanisms and adsorption properties of three archetypal MOFs, namely MIL-100, ZIF-8 and HKUST-1. A section on using MOFs as supports for metal atoms or complexes that can be used for catalysis on the robust Zr<sub>6</sub> nodes of UiO-66 or NU-1000, and the characterization techniques used thereof, is presented as well. In addition, we discuss recent developments on the application of nano-spectroscopic characterization for MOF thin-films and explore the potential of MOFs as model systems in catalysis. The conclusions and outlook provide future research possibilities in the field of MOF characterization. Diffraction ; Spectroscopy ; Microscopy ; Materials science ; Metal ; Scattering ; Nanotechnology ; Chemical engineering ; Chemistry ; Catalysis ; Crystallography ; Optics ; Organic chemistry ; Metallurgy ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; X-ray Diffraction in Crystallography
Authors: Jing Xiao | Hualin Zhan | Xiao Wang | Zai‐Quan Xu | Zhiyuan Xiong | Ke Zhang | George P. Simon | Jefferson Zhe Liu | Dan Li
Source: Nature Nanotechnology (article, 2020-06-22)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrolyte gating in graphene-based supercapacitors and its use for probing nanoconfined charging dynamics Graphene ; Supercapacitor ; Gating ; Electrolyte ; Nanotechnology ; Materials science ; Chemistry ; Electrode ; Capacitance ; Biophysics Supercapacitor Materials and Fabrication ; Graphene research and applications ; Advancements in Battery Materials
Authors: Max Veit | David M. Wilkins | Yang Yang | Robert A. DiStasio | Michele Ceriotti
Source: The Journal of Chemical Physics (article, 2020-07-09)
Field: Materials Science — Materials Chemistry

Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles The molecular dipole moment (μ) is a central quantity in chemistry. It is essential in predicting infrared and sum-frequency generation spectra as well as induction and long-range electrostatic interactions. Furthermore, it can be extracted directly-via the ground state electron density-from high-level quantum mechanical calculations, making it an ideal target for machine learning (ML). In this work, we choose to represent this quantity with a physically inspired ML model that captures two distinct physical effects: local atomic polarization is captured within the symmetry-adapted Gaussian process regression framework which assigns a (vector) dipole moment to each atom, while the movement of charge across the entire molecule is captured by assigning a partial (scalar) charge to each atom. The resulting "MuML" models are fitted together to reproduce molecular μ computed using high-level coupled-cluster theory and density functional theory (DFT) on the QM7b dataset, achieving more accurate results due to the physics-based combination of these complementary terms. The combined model shows excellent transferability when applied to a showcase dataset of larger and more complex molecules, approaching the accuracy of DFT at a small fraction of the computational cost. We also demonstrate that the uncertainty in the predictions can be estimated reliably using a calibrated committee model. The ultimate performance of the models-and the optimal weighting of their combination-depends, however, on the details of the system at hand, with the scalar model being clearly superior when describing large molecules whose dipole is almost entirely generated by charge separation. These observations point to the importance of simultaneously accounting for the local and non-local effects that contribute to μ; furthermore, they define a challenging task to benchmark future models, particularly those aimed at the description of condensed phases. Dipole ; Moment (physics) ; Gaussian ; Partial charge ; Charge (physics) ; Weighting ; Quantum ; Electric dipole moment ; Polarization (electrochemistry) Machine Learning in Materials Science ; Advanced Chemical Physics Studies ; Gaussian Processes and Bayesian Inference
Authors: Yilv Guo | Bing Wang | Xiwen Zhang | Shijun Yuan | Liang Ma | Jinlan Wang
Source: InfoMat (article, 2020-02-25)
Field: Materials Science — Materials Chemistry

Magnetic two‐dimensional layered crystals meet with ferromagnetic semiconductors Abstract The existence of intrinsic ferromagnetic semiconductors (FMSs) in two‐dimensional (2D) materials has been a long‐term concern and pursuit. Recent breakthroughs in the 2D FMSs, such as CrGeTe 3 and CrX 3 (X = Cl, Br, I) from bulk down to monolayer, have stimulated intensive researches on new physical phenomena and creative concepts. This minireview mainly summarizes recent progress of 2D intrinsic FMSs in theoretical side, and focuses on the ongoing strategies proposed to enhance ferromagnetism, involving the mechanisms of magnetic exchange interaction and the significance of magnetic anisotropy. Meanwhile, spin‐related multifunctionality with ultrathin FMSs and their van de Waals heterostructures in magnetoelectric, valleytronic, and nondissipative electronic technology are introduced, as well as the current challenges and the prospects in this field are discussed. image Ferromagnetism ; Heterojunction ; Monolayer ; Semiconductor ; van der Waals force ; Condensed matter physics ; Anisotropy ; Spin (aerodynamics) ; Materials science ; Computer science ; Engineering physics ; Nanotechnology ; Physics ; Quantum mechanics ; Optoelectronics 2D Materials and Applications ; MXene and MAX Phase Materials ; Multiferroics and related materials
Authors: Matthew R. Arkenberg | Han Nguyen | Chien‐Chi Lin
Source: Journal of Materials Chemistry B (review, 2020-01-01)
Field: Materials Science — Biomaterials

Recent advances in bio-orthogonal and dynamic crosslinking of biomimetic hydrogels In recent years, dynamic, 'click' hydrogels have been applied in numerous biomedical applications. Owing to the mild, cytocompatible, and highly specific reaction kinetics, a multitude of orthogonal handles have been developed for fabricating dynamic hydrogels to facilitate '4D' cell culture. The high degree of tunability in crosslinking reactions of orthogonal 'click' chemistry has enabled a bottom-up approach to install specific biomimicry in an artificial extracellular matrix. In addition to click chemistry, highly specific enzymatic reactions are also increasingly used for network crosslinking and for spatiotemporal control of hydrogel properties. On the other hand, covalent adaptable chemistry has been used to recapitulate the viscoelastic component of biological tissues and for formulating self-healing and shear-thinning hydrogels. The common feature of these three classes of chemistry (i.e., orthogonal click chemistry, enzymatic reactions, and covalent adaptable chemistry) is that they can be carried out under ambient and aqueous conditions, a prerequisite for maintaining cell viability for in situ cell encapsulation and post-gelation modification of network properties. Due to their orthogonality, different chemistries can also be applied sequentially to provide additional biochemical and mechanical control to guide cell behavior. Herein, we review recent advances in the use of orthogonal click chemistry, enzymatic reactions, and covalent adaptable chemistry for the development of dynamically tunable and biomimetic hydrogels. Self-healing hydrogels ; Materials science ; Polymer science ; Nanotechnology ; Composite material ; Polymer chemistry Silk-based biomaterials and applications ; 3D Printing in Biomedical Research ; Hydrogels: synthesis, properties, applications
Authors: Jinyi Li | Ziwei Yu | Zhenhui Du | Yue Ji | Chang Liu
Source: Remote Sensing (review, 2020-08-26)
Field: Chemistry — Spectroscopy

Standoff Chemical Detection Using Laser Absorption Spectroscopy: A Review Remote chemical detection in the atmosphere or some specific space has always been of great interest in many applications for environmental protection and safety. Laser absorption spectroscopy (LAS) is a highly desirable technology, benefiting from high measurement sensitivity, improved spectral selectivity or resolution, fast response and capability of good spatial resolution, multi-species and standoff detection with a non-cooperative target. Numerous LAS-based standoff detection techniques have seen rapid development recently and are reviewed herein, including differential absorption LiDAR, tunable laser absorption spectroscopy, laser photoacoustic spectroscopy, dual comb spectroscopy, laser heterodyne radiometry and active coherent laser absorption spectroscopy. An update of the current status of these various methods is presented, covering their principles, system compositions, features, developments and applications for standoff chemical detection over the last decade. In addition, a performance comparison together with the challenges and opportunities analysis is presented that describes the broad LAS-based techniques within the framework of remote sensing research and their directions of development for meeting potential practical use. Tunable diode laser absorption spectroscopy ; Remote sensing ; Spectroscopy ; Differential optical absorption spectroscopy ; Laser ; Photoacoustic spectroscopy ; Absorption (acoustics) ; Lidar ; Materials science ; Optics ; Absorption spectroscopy ; Heterodyne detection ; Spectral resolution ; Environmental science ; Computer science ; Tunable laser ; Spectral line ; Physics ; Geology Spectroscopy and Laser Applications ; Atmospheric and Environmental Gas Dynamics ; Spectroscopy and Chemometric Analyses
Authors: Susanne Sandell | Emigdio Chávez‐Ángel | Alexandros El Sachat | Jianying He | Clivia M. Sotomayor Torres | Jérémie Maire
Source: Journal of Applied Physics (article, 2020-10-05)
Field: Materials Science — Materials Chemistry

Thermoreflectance techniques and Raman thermometry for thermal property characterization of nanostructures The widespread use of nanostructures and nanomaterials has opened up a whole new realm of challenges in thermal management, but also leads to possibilities for energy conversion, storage, and generation, in addition to numerous other technological applications. At the microscale and below, standard thermal measurement techniques reach their limits, and several novel methods have been developed to overcome these limitations. Among the most recent, contactless photothermal methods have been widely used and have proved their advantages in terms of versatility, temporal and spatial resolution, and even sensitivity in some situations. Among them, thermoreflectance and Raman thermometry have been used to measure the thermal properties from bulk materials to thin films, multilayers, suspended structures, and nanomaterials. This Tutorial presents the principles of these two techniques and some of their most common implementations. It expands to more advanced systems for spatial mapping and for probing of non-Fourier thermal transport. Finally, this paper concludes with discussing the limitations and perspectives of these techniques and future directions in nanoscale thermometry. Microscale chemistry ; Characterization (materials science) ; Nanotechnology ; Nanomaterials ; Materials science ; Raman spectroscopy ; Nanostructure ; Photothermal therapy ; Nanoscopic scale ; Computer science ; Optics ; Physics Thermal properties of materials ; Thermal Radiation and Cooling Technologies ; Thermography and Photoacoustic Techniques
Authors: Gurshagan Kandhola | Angele Djioleu | Kalavathy Rajan | Nicole Labbé | J. Sakon | Danielle Julie Carrier | Jin-Woo Kim
Source: Bioresources and Bioprocessing (article, 2020-03-31)
Field: Materials Science — Biomaterials

Maximizing production of cellulose nanocrystals and nanofibers from pre-extracted loblolly pine kraft pulp: a response surface approach Abstract This study aims to optimize strong acid hydrolysis-based production of cellulose nanocrystals (CNCs) and cellulose nanofibers (CNFs) from pre-extracted and fully bleached kraft pulp of loblolly pinewood, the most abundant and commercially significant softwood species in southeastern United States. The effect of four parameters, including acid concentration, temperature, duration and pulp particle size, on the yield and properties of CNCs was investigated using the central composite design (CCD) of response surface methodology (RSM) for process optimization. While CNC yield was significantly affected by acid concentration and hydrolysis temperature and was adequately explained by an empirical model, none of the characteristic properties of CNCs, including crystallinity index, surface charge and particle size, displayed any strong correlation to the process parameters within the experimental ranges tested. At different hydrolysis severities, we not only analyzed the waste streams to determine the extent of holocellulose degradation, but also evaluated the properties of leftover partially hydrolyzed pulp, called cellulosic solid residues (CSR), to gauge its potential for CNF production via mechanical fibrillation. Conditions that maximized CNC yields (60% w/w) were 60% acid concentration, 58 °C, 60 min and 40 mesh particle size. Twenty percent (w/w) of the pulp was degraded under these conditions. On the other hand, conditions that maximized CSR yields (60% w/w) were 54% acid, 45 °C, 90 min and 20 mesh particle size, which also produced 15% CNCs, caused minimal pulp degradation (&lt; 5%) and imparted sufficient surface charge such that CSR was easily microfluidized into CNFs. Therefore, the strong acid hydrolysis process could be tuned to maximize the production of cellulose nanocrystals and nanofibers and obtain two products with different properties and applications through the process optimization. Response surface methodology ; Kraft process ; Pulp (tooth) ; Cellulose ; Central composite design ; Materials science ; Hydrolysis ; Cellulosic ethanol ; Particle size ; Acid hydrolysis ; Nanofiber ; Pulp and paper industry ; Loblolly pine ; Chemical engineering ; Crystallinity ; Kraft paper ; Cellulase ; Specific surface area ; Composite material ; Chemistry ; Chromatography ; Organic chemistry ; Catalysis ; Botany ; Pinus <genus> Advanced Cellulose Research Studies ; Lignin and Wood Chemistry ; Biofuel production and bioconversion
Authors: Yixin Chen | Bin Ai | Zi Jing Wong
Source: Nano Convergence (review, 2020-05-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Soft optical metamaterials Optical metamaterials consist of artificially engineered structures exhibiting unprecedented optical properties beyond natural materials. Optical metamaterials offer many novel functionalities, such as super-resolution imaging, negative refraction and invisibility cloaking. However, most optical metamaterials are comprised of rigid materials that lack tunability and flexibility, which hinder their practical applications. This limitation can be overcome by integrating soft matters within the metamaterials or designing responsive metamaterial structures. In addition, soft metamaterials can be reconfigured via optical, electrical, thermal and mechanical stimuli, thus enabling new optical properties and functionalities. This paper reviews different types of soft and reconfigurable optical metamaterials and their fabrication methods, highlighting their exotic properties. Future directions to employ soft optical metamaterials in next-generation metamaterial devices are identified. Metamaterial ; Cloaking ; Photonic metamaterial ; Negative refraction ; Flexibility (engineering) ; Materials science ; Transformation optics ; Invisibility ; Optoelectronics ; Optics ; Computer science ; Nanotechnology ; Physics Metamaterials and Metasurfaces Applications ; Advanced Materials and Mechanics ; Advanced Antenna and Metasurface Technologies
Authors: Leonhard H. Urner | Idlir Liko | Hsin‐Yung Yen | Kin Kuan Hoi | Jani Reddy Bolla | Joseph Gault | Fernando Almeida | Marc‐Philip Schweder | Denis Shutin | Svenja Ehrmann | Rainer Haag | Carol V. Robinson | Kevin Pagel
Source: Nature Communications (article, 2020-01-28)
Field: Chemistry — Spectroscopy

Modular detergents tailor the purification and structural analysis of membrane proteins including G-protein coupled receptors Detergents enable the purification of membrane proteins and are indispensable reagents in structural biology. Even though a large variety of detergents have been developed in the last century, the challenge remains to identify guidelines that allow fine-tuning of detergents for individual applications in membrane protein research. Addressing this challenge, here we introduce the family of oligoglycerol detergents (OGDs). Native mass spectrometry (MS) reveals that the modular OGD architecture offers the ability to control protein purification and to preserve interactions with native membrane lipids during purification. In addition to a broad range of bacterial membrane proteins, OGDs also enable the purification and analysis of a functional G-protein coupled receptor (GPCR). Moreover, given the modular design of these detergents, we anticipate fine-tuning of their properties for specific applications in structural biology. Seen from a broader perspective, this represents a significant advance for the investigation of membrane proteins and their interactions with lipids. Membrane protein ; Modular design ; G protein-coupled receptor ; Membrane ; Structural biology ; Computational biology ; Chemistry ; Biology ; Biochemistry ; Receptor ; Computer science Mass Spectrometry Techniques and Applications ; Receptor Mechanisms and Signaling ; Influenza Virus Research Studies