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The 2019 materials by design roadmap

Description: This roadmap article presents an overview of the current state of computational materials prediction, synthesis and characterization approaches, materials design needs for various technologies, and future challenges and opportunities that must be addressed.
Date: October 24, 2018
Creator: Alberi, Kirstin; Buongiorno Nardelli, Marco; Zakutayev, Andriy; Mitas, Lubos; Curtarolo, Stefano; Jain, Anubhav et al.
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open access

Absolute band alignment at semiconductor-water interfaces using explicit and implicit descriptions for liquid water

Description: Article presents a rigorous and systematic study of the band alignment of semiconductors in aqueous solutions by contrasting a range of hybrid explicit/implicit models against explicit atomistic simulations based on density-functional theory.
Date: October 11, 2019
Creator: Hörmann, Nicolas; Guo, Zhendong; Ambrosio, Francesco; Andreussi, Oliviero; Pasquarello, Alfredo & Marzari, Nicola
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open access

Absorption and emission modulation in a MoS2–GaN (0001) heterostructure by interface phonon–exciton coupling

Description: Article reporting the change in the transient absorption characteristics of monolayer MoS2 and the modified PL emission characteristics in a monolayer MoS2–GaN (0001) heterostructure due to the coupling of carriers with the phonon modes and the energy exchange at the interface. The results demonstrate the relevance of interface coupling between the semiconductors for the development of optical and electronic applications.
Date: December 1, 2019
Creator: Poudel, Yuba; Sławińska, Jagoda; Gopal, Priya; Seetharaman, Sairaman; Hennighausen, Zachariah; Kar, Swastik et al.
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open access

Acoustic Metasurface-Aided Broadband Noise Reduction in Automobile Induced by Tire-Pavement Interaction

Description: Article demonstrating a technique utilizing acoustic metasurfaces (AMSes) with high reflective characteristics using relatively lightweight materials for noise reduction without any change in mechanical strength or weight of the tire. The proposed design can significantly reduce the noise arising from tire–pavement interaction over a broadband of acoustic frequencies under 1000 Hz and over a wide range of vehicle speeds using a negative effective dynamic mass density approach.
Date: July 30, 2021
Creator: Heo, Hyeonu; Sofield, Matthew; Ju, Jaehyung & Neogi, Arup
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open access

Advanced modeling of materials with PAOFLOW 2.0: New features and software design

Description: This article describes the recent re-design of the code and the new features and improvements in performance of PAOFLOW, a software tool that constructs tight-binding Hamiltonians from self-consistent electronic wavefunctions by projecting onto a set of atomic orbitals.
Date: September 2, 2021
Creator: Cesaroli, Frank T.; Supka, Andrew; Jayaraj, Anooja; Costa, Marcio; Siloi, Ilaria; Sławińska, Jagoda et al.
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open access

AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids

Description: Article introducing the quasiharmonic approximation three-phonon method to calculate the thermodynamic properties of both nonmetallic and metallic compounds. This study demonstrates that QHA3P is an ideal framework for the high-throughput prediction of finite-temperature material properties, combining the accuracy of QHA with the computational efficiency of SC-QHA.
Date: July 8, 2019
Creator: Nath, Pinku; Usanmaz, Demet; Hicks, David; Oses, Corey; Fornari, Marco; Buongiorno Nardelli, Marco et al.
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open access

All-acoustic signal modulation and logic operation via defect induced cavity effects in phononic crystal coupled-resonator acoustic waveguides

Description: Article describes experiment where a coupled resonant acoustic waveguide (CRAW) in a phononic crystal (PnC) was engineered to manipulate the propagation of ultrasonic waves within a conventional phononic bandgap for wavelength division multiplexing.
Date: November 6, 2019
Creator: Reyes, Delfino; Walker, Ezekiel; Zubov, Yurii; Heo, Hyeonu; Krokhin, Arkadii A. & Neogi, Arup
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open access

ALMA Observations of Quasar Host Galaxies at z ≃ 4.8

Description: Article presents ALMA Band 7 data of the [C ıı] 𝜆157.74 𝜇m emission line and underlying far-IR (FIR) continuum for 12 luminous quasars at 𝓏 ≃ 4.8 powered by fast-growing supermassive black holes (SMBHs).
Date: May 27, 2020
Creator: Shemmer, Ohad; Nguyen, Nathen H.; Lira, Paulina; Trakhtenbrot, Benny; Netzer, Hagai; Cicone, Claudia et al.
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open access

Amplification of photoacoustic effect in bimodal polymer particles by self-quenching of indocyanine green

Description: This article presents a new type of bimodal contrast agent that is based on the self-quenching of indocyanine green (ICG) encapsulated in a biocompatible and biodegradable polymer shell.
Date: August 23, 2019
Creator: Mokrousov, Maksim D.; Novoselova, Marina V.; Nolan, Jackie; Harrington, Walter; Rudakovskaya, Polina; Bratashov, Daniil N. et al.
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open access

Analyzing the Bolometric Performance of Vanadium Oxide Thin Films Modified by Carbon Nanotube Dispersions

Description: Article investigates the influence of carbon nanotube (CNT) dispersions on the electrical properties and noise signal amplitude of 𝑉𝑂𝑥 films. The results presented in this work provide a better understanding of 𝑉𝑂𝑥-based composites, thereby enabling the development of new, versatile and functional materials for device applications.
Date: February 12, 2023
Creator: Philipose, Usha; Littler, Chris; Jiang, Yan; Naciri, Alia; Harcrow, Michael & Syllaios, A. J.
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open access

Antihydrogen Beam Formation by Transporting an Antiproton Beam Through an Electron-Positron Plasma That Produces Magnetobound Positronium

Description: This paper from the 2016 Conference on Application of Accelerators in Research and Industry conference proceedings describes the use of a classical trajectory simulation to study the formation of an antihydrogen beam by transporting an antiproton beam through an electron-positron plasma that produces magnetobound positronium.
Date: October 26, 2017
Creator: Hermosillo, M.; Thornton, E. A. & Ordonez, Carlos A.
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open access

ARKENSTONE – I. A novel method for robustly capturing high specific energy outflows in cosmological simulations

Description: Article describes how ARKENSTONE is a new model for multiphase, stellar feedback-driven galactic winds designed for inclusion in coarse resolution cosmological simulations. In this first paper of a series, the authors describe the features that allow ARKENSTONE to properly treat high specific energy wind components and demonstrate them using idealized non-cosmological simulations of a galaxy with a realistic circumgalactic medium (CGM) using the AREPO code.
Date: October 17, 2023
Creator: Smith, Matthew C.; Fielding, Drummond B.; Bryan, Greg L.; Kim, Chang-Goo; Ostriker, Eve C.; Somerville, Rachel S. et al.
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open access

Artificially structured boundary for confinement of effectively unmagnetized cryogenic antimatter plasmas

Description: The article is from conference proceedings that discuss an artificially structured boundary (ABS) considered to consist of a spatially periodic arrangement of electrostatically plugged magnetic cusps. As envisioned, a non-neutral positron plasma could be confined by an ASB along its edge, and the space charge of the positron plasma would serve to confine an antiproton plasma. If the conditions of the two-species plasma are suitable, production of antihydrogen via three-body recombination for an… more
Date: January 23, 2018
Creator: Hedlof, R. M. & Ordonez, Carlos A.
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Artificially structured boundary plasma trap

Description: This article presents a computer simulation of single-species non-neutral plasma confinement using an artificially structured boundary. The results support the prospect of developing plasma space-charge based confinement, with an unmagnetized plasma of one species of charged particles confined by an electric field produced by an edge-confined plasma of a second species of charged particles.
Date: September 20, 2019
Creator: Hedlof, R. M. & Ordonez, Carlos A.
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open access

Automated Approach to In Vitro Image-Guided Photothermal Therapy with Top-Down and Bottom-Up-Synthesized Graphene Quantum Dots

Description: Article discusses how, based on recent studies, graphene quantum dots (GQDs) are expected to possess advantageous photothermal properties and facilitate fluorescence image-tracking in the visible and near-infrared (NIR), while surpassing other graphene-based materials in their biocompatibility. The combination of the photothermal and imaging modalities tested in vitro makes the GQDs developed in this work prospective agents for cancer theragnostics.
Date: February 22, 2023
Creator: Lee, Bong; Stokes, Gretel A.; Valimukhametova, Alina; Nguyen, Steven; Gonzalez-Rodriguez, Roberto; Bhaloo, Adam et al.
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open access

Biophotons: New Experimental Data and Analysis

Description: Article describes how biophotons are an ultra-weak emission of photons in the visible energy range from living matter. The authors study the emission from germinating seeds using an experimental technique designed to detect light of extremely small intensity.
Date: October 10, 2023
Creator: Benfatto, Maurizio; Pace, Elisabetta; Davoli, Ivan; Francini, Roberto; Matteis, Fabio De; Scordo, Alessandro et al.
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open access

Black Hole Growth Is Mainly Linked to Host-galaxy Stellar Mass Rather Than Star Formation Rate

Description: This article investigates the dependence of black hole accretion rate (BHAR) on host-galaxy star formation rate (SFR) and stellar mass in the CANDELS/GOODS-South field in the redshift range of 0.5 ⩽ z < 2.0.
Date: June 15, 2017
Creator: Yang, G.; Chen, C. -T. J.; Vito, F.; Brandt, William Nielsen; Alexander, David M.; Luo, Bin et al.
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open access

A brief guide to polymer characterization: structure (IUPAC Technical Report)

Description: Article states that to bolster the series of Brief Guides released by International Union of Pure and Applied Chemistry, the authors introduce the first Brief Guide to Polymer Characterization. This article provides a concise overview of characterization methods for teachers, students, non-specialists, and newcomers to polymer science as well as being a useful manual for researchers and technicians.
Date: August 16, 2023
Creator: Topham, Paul D.; Boucher, Raymond J.; Chang, Taihyun; Smrčková, Miroslava D.; Farrell, Wesley S.; He, Jiasong et al.
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open access

Building a Team for EXtragalactic AStrophysics (TEXAS) in the Dallas-Fort Worth Metroplex

Description: Data management plan for the grant, "Building a Team for EXtragalactic AStrophysics (TEXAS) in the Dallas-Fort Worth Metroplex". The project will build a new partnership between the University of North Texas (UNT), an R1 Minority-Serving Institution (MSI)/ Hispanic-Serving Institution (HSI), and the University of Texas at Dallas (UTD). During the pilot phase, the team will establish a post-baccalaureate bridge program and organize monthly colloquia and annual symposia to broaden the participati… more
Date: 2022-09-01/2024-08-31
Creator: Li, Yuan
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