Physical Measurement Laboratory

Abstract The Joint Automated Repository for Various Integrated Simulations (JARVIS) is an integrated infrastructure to accelerate materials discovery and design using density functional theory (DFT), classical force-fields (FF), and machine learning (ML) techniques. JARVIS is motivated by the Materials Genome Initiative (MGI) principles of developing open-access databases and tools to reduce the cost and development time of materials discovery, optimization, and deployment. The major features of JARVIS are: JARVIS-DFT, JARVIS-FF, JARVIS-ML, and JARVIS-tools. To date, JARVIS consists of ≈40,000 materials and ≈1 million calculated properties in JARVIS-DFT, ≈500 materials and ≈110 force-fields in JARVIS-FF, and ≈25 ML models for material-property predictions in JARVIS-ML, all of which are continuously expanding. JARVIS-tools provides scripts and workflows for running and analyzing various simulations. We compare our computational data to experiments or high-fidelity computational methods wherever applicable to evaluate error/uncertainty in predictions. In addition to the existing workflows, the infrastructure can support a wide variety of other technologically important applications as part of the data-driven materials design paradigm. The JARVIS datasets and tools are publicly available at the website: https://jarvis.nist.gov .

Monochromatic light can be characterized by its three fundamental properties: amplitude, phase, and polarization. In this work, we propose a versatile, transmission-mode all-dielectric metasurface platform that can independently manipulate the phase and amplitude for two orthogonal states of polarization in the visible frequency range. For proof-of-concept experimental demonstration, various single-layer metasurfaces composed of subwavelength-spaced titanium-dioxide nanopillars are designed, fabricated, and characterized to exhibit the ability of polarization-switchable multidimensional light-field manipulation, including polarization-switchable grayscale nanoprinting, nonuniform cylindrical lensing, and complex-amplitude holography. We envision the metasurface platform demonstrated here to open new possibilities toward creating compact multifunctional optical devices for applications in polarization optics, information encoding, optical data storage, and security.

As the two most representative operation modes in an optical imaging system, bright-field imaging and phase contrast imaging can extract different morphological information on an object. Developing a miniature and low-cost system capable of switching between these two imaging modes is thus very attractive for a number of applications, such as biomedical imaging. Here, we propose and demonstrate that a Fourier transform setup incorporating an all-dielectric metasurface can perform a two-dimensional spatial differentiation operation and thus achieve isotropic edge detection. In addition, the metasurface can provide two spin-dependent, uncorrelated phase profiles across the entire visible spectrum. Therefore, based on the spin-state of incident light, the system can be used for either diffraction-limited bright-field imaging or isotropic edge-enhanced phase contrast imaging. Combined with the advantages of planar architecture and ultrathin thickness of the metasurface, we envision this approach may open new vistas in the very interdisciplinary field of imaging and microscopy.

This acoustofluidics tutorial focuses on continuous flow-based half wavelength resonator systems operated in the transversal mode, where the direction of the primary acoustic force acts in plane with the microchip. The transversal actuation mode facilitates integration with up- and downstream microchannel networks as well as visual control of the acoustic focusing experiment. Applications of particle enrichment in an acoustic half wavelength resonator are discussed as well as clarification of the carrier fluid from undesired particles. Binary separation of particle/vesicle/cell mixtures into two subpopulations is outlined based on the different polarities of the acoustic contrast factor. Furthermore, continuous flow separation of different particle/cell types is described where both Free Flow Acoustophoresis (FFA) and binary acoustophoresis are utilized. By capitalizing on the laminar flow regime, acoustophoresis has proven especially successful in performing bead/cell translations between different buffer systems. Likewise, the ability to controllably translate particulate matter across streamlines has opened a route to valving of cells/particles without any moving parts, where event triggered cell sorting is becoming an increasing area of activity. Recent developments now also enable measurements of fundamental cell properties such as density and compressibility by means of acoustophoresis. General aspects on working with live cells in acoustophoresis systems are discussed as well as available means to quantify the outcome of cell and particle separation experiments performed by acoustophoresis.

We determined the electromechanical properties of a suspended graphene layer by scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) measurements, as well as computational simulations of the graphene-membrane mechanics and morphology. A graphene membrane was continuously deformed by controlling the competing interactions with a STM probe tip and the electric field from a back-gate electrode. The probe tip-induced deformation created a localized strain field in the graphene lattice. STS measurements on the deformed suspended graphene display an electronic spectrum completely different from that of graphene supported by a substrate. The spectrum indicates the formation of a spatially confined quantum dot, in agreement with recent predictions of confinement by strain-induced pseudomagnetic fields.

The advent of nanotechnology, and the need to understand the chemical composition at the nanoscale, has stimulated the convergence of IR and Raman spectroscopy with scanning probe methods, resulting in new nanospectroscopy paradigms. Here we review two such methods, namely photothermal induced resonance (PTIR), also known as AFM-IR and tip-enhanced Raman spectroscopy (TERS). AFM-IR and TERS fundamentals will be reviewed in detail together with their recent crucial advances. The most recent applications, now spanning across materials science, nanotechnology, biology, medicine, geology, optics, catalysis, art conservation and other fields are also discussed. Even though AFM-IR and TERS have developed independently and have initially targeted different applications, rapid innovation in the last 5 years has pushed the performance of these, in principle spectroscopically complimentary, techniques well beyond initial expectations, thus opening new opportunities for their convergence. Therefore, subtle differences and complementarity will be highlighted together with emerging trends and opportunities.

Exquisite polarization control using optical metasurfaces has attracted considerable attention thanks to their ability to manipulate multichannel independent wavefronts with subwavelength resolution. Here we present a new class of metasurface polarization optics, which enables imposition of two arbitrary and independent amplitude profiles on any pair of orthogonal states of polarization. The implementation method involves a polarization-dependent interference mechanism achieved by constructing a metasurface composed of an array of nanoscale birefringent waveplates. Based on this principle, we experimentally demonstrate chiral grayscale metasurface and chiral shadow rendering of structured light. These results illustrate a general approach interlinking amplitude profiles and orthogonal states of polarization and expands the scope of metasurface polarization shaping optics.

Engineering electronic structure of atomically thin two-dimensional (2D) materials is of great importance to their potential applications. In comparison to numerous other approaches, such as strain and chemical functionization, alloying can continuously tune the band gaps in a wide energy range. Atomically thin 2D alloys have been prepared and studied recently due to their potential use in electronic and optoelectronic applications. In this review, we first summarize the preparation methods of 2D alloys (mainly on transition metal dichalcogenide (TMD) monolayer alloys), including mechanical exfoliation, physical vapor deposition (PVD), chemical vapor deposition (CVD) and chalcogen exchange. Then, atomic-resolution imaging, Raman and photoluminescence (PL) spectroscopy characterization of 2D alloys are reviewed, in which band gap tuning is discussed in detail based on the PL experiments and theoretical calculations. Finally, applications of 2D alloys in field-effect transistors (FETs), photocurrent generation and hydrogen evolution catalysis are reviewed.

The relationship between ECM mechanics and cell behavior is dynamic, as cells remodel and respond to changes in their local environment. Most in vitro substrates are static and supraphysiologically stiff; thus, platforms with dynamic and reversible mechanical changes are needed. Herein, we developed hyaluronic acid-based substrates capable of sequential photodegradation and photoinitiated crosslinking reactions to soften and then stiffen the hydrogels over a physiologically relevant range of moduli. Reversible mechanical signaling to adhered cells was demonstrated with human mesenchymal stem cells. In situ hydrogel softening (from ca. 14 to 3.5 kPa) led to a decrease in the cell area and nuclear localization of YAP/TAZ, and subsequent stiffening (from ca. 3.5 to 28 kPa) increased the cell area and nuclear localization of YAP/TAZ. Each photoreaction was cytocompatible and tunable, rendering this platform amenable to studies of dynamic mechanics on cell behavior across many cell types and contexts.

The term Poincaré beam, which describes the space-variant polarization of a light beam carrying spin angular momentum (SAM) and orbital angular momentum (OAM), plays an important role in various optical applications. Since the radius of a Poincaré beam conventionally depends on the topological charge number, it is difficult to generate a stable and high-quality Poincaré beam by two optical vortices with different topological charge numbers, as the Poincaré beam formed in this way collapses upon propagation. Here, based on an all-dielectric metasurface platform, we experimentally demonstrate broadband generation of a generalized perfect Poincaré beam (PPB), whose radius is independent of the topological charge number. By utilizing a phase-only modulation approach, a single-layer spin-multiplexed metasurface is shown to achieve all the states of PPBs on the hybrid-order Poincaré Sphere for visible light. Furthermore, as a proof-of-concept demonstration, a metasurface encoding multidimensional SAM and OAM states in the parallel channels of elliptical and circular PPBs is implemented for optical information encryption. We envision that this work will provide a compact and efficient platform for generation of PPBs for visible light, and may promote their applications in optical communications, information encryption, optical data storage and quantum information sciences.

Aqueous two-phase extraction is demonstrated to enable isolation of single semiconducting and metallic single-wall carbon nanotube species from a synthetic mixture. The separation is rapid and robust, with remarkable tunability via modification of the surfactant environment set for the separation.

Complementary in situ X-ray photoelectron spectroscopy (XPS), X-ray diffractometry, and environmental scanning electron microscopy are used to fingerprint the entire graphene chemical vapor deposition process on technologically important polycrystalline Cu catalysts to address the current lack of understanding of the underlying fundamental growth mechanisms and catalyst interactions. Graphene forms directly on metallic Cu during the high-temperature hydrocarbon exposure, whereby an upshift in the binding energies of the corresponding C1s XPS core level signatures is indicative of coupling between the Cu catalyst and the growing graphene. Minor carbon uptake into Cu can under certain conditions manifest itself as carbon precipitation upon cooling. Postgrowth, ambient air exposure even at room temperature decouples the graphene from Cu by (reversible) oxygen intercalation. The importance of these dynamic interactions is discussed for graphene growth, processing, and device integration.

Polystyrene (PS) has brought in vitro cell culture from its humble beginnings to the modern era, propelling dozens of research fields along the way. This review discusses the development of the material, fabrication, and treatment approaches to create the culture material. However, native PS surfaces poorly facilitate cell adhesion and growth in vitro. To overcome this, liquid surface deposition, energetic plasma activation, and emerging functionalization methods transform the surface chemistry. This review seeks to highlight the many potential applications of the first widely accepted polymer growth surface. Although the majority of in vitro research occurs on two-dimensional surfaces, the importance of three-dimensional (3D) culture models cannot be overlooked. The methods to transition PS to specialized 3D culture surfaces are also reviewed. Specifically, casting, electrospinning, 3D printing, and microcarrier approaches to shift PS to a 3D culture surface are highlighted. The breadth of applications of the material makes it impossible to highlight every use, but the aim remains to demonstrate the versatility and potential as both a general and custom cell culture surface. The review concludes with emerging scaffolding approaches and, based on the findings, presents our insights on the future steps for PS as a tissue culture platform.

Shrinking conventional optical systems to chip-scale dimensions will benefit custom applications in imaging, displaying, sensing, spectroscopy, and metrology. Towards this goal, metasurfaces-planar arrays of subwavelength electromagnetic structures that collectively mimic the functionality of thicker conventional optical elements-have been exploited at frequencies ranging from the microwave range up to the visible range. Here, we demonstrate high-performance metasurface optical components that operate at ultraviolet wavelengths, including wavelengths down to the record-short deep ultraviolet range, and perform representative wavefront shaping functions, namely, high-numerical-aperture lensing, accelerating beam generation, and hologram projection. The constituent nanostructured elements of the metasurfaces are formed of hafnium oxide-a loss-less, high-refractive-index dielectric material deposited using low-temperature atomic layer deposition and patterned using high-aspect-ratio Damascene lithography. This study opens the way towards low-form factor, multifunctional ultraviolet nanophotonic platforms based on flat optical components, enabling diverse applications including lithography, imaging, spectroscopy, and quantum information processing.

ADVERTISEMENT RETURN TO ISSUEPREVReviewDisease Detection and Management via Single Nanopore-Based SensorsJoseph E. Reiner*†, Arvind Balijepalli‡§, Joseph W. F. Robertson‡, Jason Campbell‡, John Suehle‡, and John J. Kasianowicz‡View Author Information† Department of Physics, Virginia Commonwealth University, 701 W. Grace Street, Richmond, Virginia 23284, United States‡ Physical Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8120, United States§ Laboratory of Computational Biology, National Heart Lung and Blood Institute, Rockville, Maryland 20852, United States*E-mail: [email protected]Cite this: Chem. Rev. 2012, 112, 12, 6431–6451Publication Date (Web):November 16, 2012Publication History Received13 September 2012Published online16 November 2012Published inissue 12 December 2012https://doi.org/10.1021/cr300381mCopyright © 2012 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views4621Altmetric-Citations190LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit Read OnlinePDF (14 MB) Get e-AlertsSUBJECTS:Electrical conductivity,Genetics,Ions,Molecules,Nanopores Get e-Alerts

Convolutional Neural Networks (CNNs) are powerful and highly ubiquitous tools for extracting features from large datasets for applications such as computer vision and natural language processing. However, a convolution is a computationally expensive operation in digital electronics. In contrast, neuromorphic photonic systems, which have experienced a recent surge of interest over the last few years, propose higher bandwidth and energy efficiencies for neural network training and inference. Neuromorphic photonics exploits the advantages of optical electronics, including the ease of analog processing, and busing multiple signals on a single waveguide at the speed of light. Here, we propose a Digital Electronic and Analog Photonic (DEAP) CNN hardware architecture that has potential to be 2.8 to 14 times faster while using almost 25% less energy than current state-of-the-art graphical processing units (GPUs).

Going with the grain Changes in surface structure can make metal nanoparticles supported on oxides more active for certain catalytic reactions. Huang et al . show that steam pretreatment of palladium nanoparticles on alumina led to a high density of twin boundaries, unlike other oxidation and reduction pretreatments. The density of these stable grain boundaries at the surface correlated with higher methane oxidation rates and lower temperatures for the initiation of the reaction. The introduction of additional defect sites through laser ablation created even more active catalysts. —PDS

Abstract Oxide-supported noble metal catalysts have been extensively studied for decades for the water gas shift (WGS) reaction, a catalytic transformation central to a host of large volume processes that variously utilize or produce hydrogen. There remains considerable uncertainty as to how the specific features of the active metal-support interfacial bonding—perhaps most importantly the temporal dynamic changes occurring therein—serve to enable high activity and selectivity. Here we report the dynamic characteristics of a Pt/CeO 2 system at the atomic level for the WGS reaction and specifically reveal the synergistic effects of metal-support bonding at the perimeter region. We find that the perimeter Pt 0 − O vacancy−Ce 3+ sites are formed in the active structure, transformed at working temperatures and their appearance regulates the adsorbate behaviors. We find that the dynamic nature of this site is a key mechanistic step for the WGS reaction.

Abstract Automated microscopy can image specimens larger than the microscope’s field of view (FOV) by stitching overlapping image tiles. It also enables time-lapse studies of entire cell cultures in multiple imaging modalities. We created MIST (Microscopy Image Stitching Tool) for rapid and accurate stitching of large 2D time-lapse mosaics. MIST estimates the mechanical stage model parameters (actuator backlash, and stage repeatability ‘ r ’) from computed pairwise translations and then minimizes stitching errors by optimizing the translations within a (4 r ) 2 square area. MIST has a performance-oriented implementation utilizing multicore hybrid CPU/GPU computing resources, which can process terabytes of time-lapse multi-channel mosaics 15 to 100 times faster than existing tools. We created 15 reference datasets to quantify MIST’s stitching accuracy. The datasets consist of three preparations of stem cell colonies seeded at low density and imaged with varying overlap (10 to 50%). The location and size of 1150 colonies are measured to quantify stitching accuracy. MIST generated stitched images with an average centroid distance error that is less than 2% of a FOV. The sources of these errors include mechanical uncertainties, specimen photobleaching, segmentation, and stitching inaccuracies. MIST produced higher stitching accuracy than three open-source tools. MIST is available in ImageJ at isg.nist.gov.

We study the Fe-catalyzed chemical vapor deposition of carbon nanotubes by complementary in situ grazing-incidence X-ray diffraction, in situ X-ray reflectivity, and environmental transmission electron microscopy. We find that typical oxide supported Fe catalyst films form widely varying mixtures of bcc and fcc phased Fe nanoparticles upon reduction, which we ascribe to variations in minor commonly present carbon contamination levels. Depending on the as-formed phase composition, different growth modes occur upon hydrocarbon exposure: For γ-rich Fe nanoparticle distributions, metallic Fe is the active catalyst phase, implying that carbide formation is not a prerequisite for nanotube growth. For α-rich catalyst mixtures, Fe3C formation more readily occurs and constitutes part of the nanotube growth process. We propose that this behavior can be rationalized in terms of kinetically accessible pathways, which we discuss in the context of the bulk iron-carbon phase diagram with the inclusion of phase equilibrium lines for metastable Fe3C. Our results indicate that kinetic effects dominate the complex catalyst phase evolution during realistic CNT growth recipes. © 2012 American Chemical Society.