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Powder and Propellants: Energetic Materials at Indian Head, Maryland, 1890-1990

Description: Book describing the history of the U.S. Navy facility at Indian Head, Maryland, which researches, develops, tests, and evaluates chemical compounds used in gun and rocket propellants as well as cockpit ejection seats. "It is the story of how an institution adapted to changes in military technology, the individuals who shaped it, and the heritage they built" (front cover flap).
Date: 2002
Creator: Carlisle, Rodney P.
Item Type: Refine your search to only Book
Partner: UNT Press
open access

Re-examination of the N2O+O reaction

Description: This article is about how the reaction of N20 with O is a key step in consumption of nitrous oxide in thermal processes. In the present work ,the authors re-examined a wide range of experiments relevant for the N2O+O reaction through kinetic modeling, paying attention to the impact of artifacts such as impurities and surface reactions.
Date: July 27, 2023
Creator: Glarborg, Peter; Allingham, Johanne S.; Skov, Alexander B.; Hashemi, Hamid & Marshall, Paul
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Reactions of hydrazine with the amidogen radical and atomic hydrogen

Description: Article describes how the rate coefficient k1 for NH2 + N2H4 was measured to be (5.4 ± 0.4) × 10−14 cm3 molecule−1 s−1 at 296 K. The authors then describe how a combination of experiment and theory leads to a recommended rate coefficient for hydrogen abstraction of k1 = 6.3 × 10−23 T3.44 exp(+289 K/T) cm3 molecule−1 s−1.
Date: June 7, 2023
Creator: Gao, Yide; Alecu, I. M.; Hashemi, Hamid; Glarborg, Peter & Marshall, Paul
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Probing High-Temperature Amine Chemistry: Is the Reaction NH3 + NH2 ⇄ N2H3 + H2 Important?

Description: Article describes how the reaction NH3 + NH2 ⇄ N2H3 + H2 (R1) has been identified as a key step to explain experimental results for pyrolysis and oxidation of ammonia. In the present work, the reaction was studied by ab initio theory and by reinterpretation of experimental data.
Date: March 14, 2023
Creator: Marshall, Paul & Glarborg, Peter
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Measurement of the Intramolecular Hydrogen-Shift Rate Coefficient for the CH3SCH2OO Radical Between 314 and 433 K

Description: Article describes how the intramolecular hydrogen-shift rate coefficient of the CH3SCH2O2 (methylthiomethylperoxy, MSP) radical, a product formed in the oxidation of dimethyl sulfide (DMS), was measured using a pulsed laser photolysis flow tube reactor coupled to a high-resolution time-of-flight chemical ionization mass spectrometer that measured the formation of the DMS degradation end product HOOCH2SCHO. Measurements performed over the temperature range of 314–433 K yielded a hydrogen-shift r… more
Date: March 2, 2023
Creator: Assaf, Emmanuel; Finewax, Zachary; Marshall, Paul; Veres, Patrick R.; Neuman, Andrew & Burkholder, James B. (James Bart), 1954-
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Re-evaluation of rate constants for the reaction N2H4 (+ M) ⇄ NH2 + NH2 (+ M)

Description: Article describes how rate constants for the dissociation/recombination reaction N2H4 (+ M) ⇄ NH2 + NH2 (+ M) are determined by a combination of quantum-chemical calculations and statistical unimolecular rate theory. Implications of the present re-evaluated rate constants for the modeling of high temperature ammonia oxidation kinetics are discussed, showing an only small influence of their precise values on the overall properties of the process.
Date: October 4, 2023
Creator: Cobos, Carlos J.; Glarborg, Peter; Marshall, Paul & Troe, Jürgen
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Experimental and Modeling Study of Water Time Histories during H2S-N2O Combustion in a Shock Tube

Description: Article describes how, in the present study, the water formation was followed by laser absorption with N2O as an oxidant, instead of O2. Three H2S/N2O mixtures diluted in 98% Ar were studied to cover the following range of equivalence ratios: 0.5, 1.0, and 2.0, over a wide range of temperatures (1580–1940 K) around atmospheric pressure.
Date: June 7, 2023
Creator: Cooper, Sean P.; Marshall, Paul; Mathieu, Olivier; Pinzón, Laura T.; Mulvihill, Clayton R. & Glarborg, Peter
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Computational study of the gas-phase reactions of sulfuric acid with OH(ΠJ), O(3PJ), Cl(2P) and O(1D2) radicals

Description: This article is about how rate coefficients for reactions of H2SO4 with OH, O(3P) and Cl radicals over 160–298 K were estimated computationally. The authors propose kOH = 8.5 × 10-14 exp(-50 K/T), kO = 1.1 × 10-12 exp(-5012 K/T) and kCl = 3.1 × 10-9 exp(-3314 K/T) cm3 molecule-1 s−1.
Date: December 27, 2021
Creator: Marshall, Paul & Burkholder, James B. (James Bart), 1954-
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

An experimental and modeling study on auto-ignition kinetics of ammonia/methanol mixtures at intermediate temperature and high pressure

Description: Article describes how a rapid compression machine has been applied to measure the ignition delay times of NH3/CH3OH mixtures covering pressures of 20 and 40 bar, equivalence ratios of 0.5, 1.0 and 2.0, and temperatures between 845 and 1100 K. Analysis of the pressure profiles shows three distinct ignition modes for NH3/CH3OH mixtures, facilitated by the pre-ignition heat release from NH3 consumption. A detailed mechanism for ignition of NH3/CH3OH fuel blends has been developed, capable of repro… more
Date: April 29, 2022
Creator: Li, Mengdi; He, Xiaoyu; Hashemi, Hamid; Glarborg, Peter; Lowe, Vincent M.; Marshall, Paul et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Comment on ‘Extremely rapid self-reactions of hydrochlorofluoromethanes and hydrochlorofluoroethanes and implications in destruction of ozone’

Description: Article comments on the claims made by the authors of the original article. The authors of the commentary note flaws in the DFT-based methodology and the commentators describe differences between their application and the original article's described application.
Date: May 26, 2022
Creator: Marshall, Paul & Burkholder, James B. (James Bart), 1954-
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Artificial Intelligence for Earth System Predictability: 2021 Workshop Report

Description: This report documents the proceedings and results from the Artificial Intelligence for Earth System Predictability (AI4ESP) workshop. The goals of this workshop were to explore more radically and aggressively advance prediction capabilities in the climate, Earth, and environmental sciences through the use of modern data analytics and artificial intelligence.
Date: September 1, 2022
Creator: Hickmon, Nicki; Varadharajan, Charuleka; Hoffman, Forrest; Wainwright, Haruko & Collis, Scott
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Advanced Research Directions on AI for Science, Energy, and Security: Report on Summer 2022 Workshops

Description: This is a report about a series of workshops sponsored by the Department of Energy (DOE) to gather input on new and rapidly emerging opportunities and challenges of scientific AI. The members of the workshops believes that AI can have a foundational impact on a broad range of DOE missions, including science, energy, and national security.
Date: May 1, 2023
Creator: Argonne National Laboratory
Item Type: Refine your search to only Report
Partner: UNT Libraries Government Documents Department
open access

Construction and characterization of superhydrophobic wood coatings using one-step technique

Description: Article describes how this study was aiming at enhancing the stain resistance and durability of varnish on wood surfaces, a super hydrophobic solution was created by blending the synthetic ZIF-8/paraffin with Hexadecyltrimethoxysilane at a specified mass ratio. This superhydrophobic mixture was then directly applied onto the wood varnish coating using a one-step method.
Date: November 22, 2023
Creator: Cao, Shuai; Cheng, Shuai; Wang, Pengyu; Ge, Shengbo; Cai, Liping & Cai, Jiabin
Item Type: Refine your search to only Article
Partner: UNT College of Engineering
open access

Neuron Navigator 1 (Nav1) regulates the response to cocaine in mice

Description: Article describes how genetic variation accounts for much of the risk for developing a substance use disorder, but the underlying genetic factors and their genetic effector mechanisms are mostly unknown. To test their genetic hypothesis, the authors generated and characterized Nav1 knockout mice.
Date: October 18, 2023
Creator: Bagley, Jared R.; Tan, Yalun; Zhu, Wan; Cheng, Zhuanfen; Takeda, Saori; Fang, Zhouqing et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

MXene/graphene oxide nanocomposites for friction and wear reduction of rough steel surfaces

Description: Article describes how development of solid lubricant materials that render reliable performance in ambient conditions, are amenable to industrial size and design complexities, and work on engineered surfaces is reported. This report presents the holistic exploration and correlation of structure-property-processing pertaining to the advancement of solid lubrication science.
Date: July 8, 2023
Creator: Macknojia, Ali Zayaan; Ayyagari, Aditya; Shevchenko, Elena V. & Berman, Diana
Item Type: Refine your search to only Article
Partner: UNT College of Engineering
open access

Reconstructing aerosol optical depth using spatiotemporal Long Short-Term Memory convolutional autoencoder

Description: Article describes how Aerosol Optical Depth (AOD)is a crucial atmospheric parameter in comprehending climate change, air quality, and its impacts on human health. This study presents a new solution to this challenge by providing a long-term, gapless satellite-derived AOD dataset for Texas from 2010 to 2022, utilizing Moderate Resolution Imaging Spectroradiometer (MODIS) multi-angle implementation of atmospheric correction (MAIAC) products.
Date: November 30, 2023
Creator: Liang, Lu; Daniels, Jacob; Biancardi, Micahel & Zhou, Yuye
Item Type: Refine your search to only Article
Partner: UNT College of Engineering
open access

Shared metadata for data-centric materials science

Description: Article describes how the expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. The authors mainly focus on computational materials-science data and propose a constructive approach for the FAIRification of the (meta)data related to ground-state and excited-states calculations, potential-energy sampling, and generalized workflows.
Date: September 14, 2023
Creator: Ghiringhelli, Luca M.; Baldauf, Carsten; Bereau, Tristan; Brockhauser, Sandor; Carbogno, Chistian; Chamanara, Javad et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

A general large-scale synthesis approach for crystalline porous materials

Description: Article describes how crystalline porous materials such as covalent organic frameworks (COFs) metal-organic frameworks (MOFs) and porous organic changes (POCs) have been widely applied in various fields with outstanding performances. In this work, the authors developed a general approach comprising high pressure homogenization (HPH), which can realize large-scale synthesis of crystalline porous materials including COFs, MOFs, and POCs under benign conditions.
Date: November 2, 2023
Creator: Liu, Xiongli; Wang, An; Wang, Chunping; Li, Jinli; Zhang, Zhiyuan; Al-Enizi, Abdullah M. et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

An unconventional proanthocyanidin pathway in maize

Description: Article describes that proanthocyanidins (PAs), flavonoid polymers involved in plant defense, are also beneficial to human health and ruminant nutrition. The authors explore whether there is a functional PA biosynthesis pathway in maize using a combination of analytical chemistry and genetic approaches.
Date: July 19, 2023
Creator: Lu, Nan; Jun, Ji Hyung; Li, Ying & Dixon, R. A.
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Manipulating microRNA miR408 enhances both biomass yield and saccharification efficiency in poplar

Description: Article describes how the conversion of lignocellulosic feedstocks to fermentable sugar for biofuel production is inefficient, and most strategies to enhance efficiency directly target lignin biosynthesis, with associated negative growth impacts. The authors demonstrate, for both laboratory-and field-grown plants, that expression of Pag-miR408 in poplar significantly enhances saccharification, with no requirement for acid-pretreatment, while promoting plant growth.
Date: July 18, 2023
Creator: Guo, Yayu; Wang, Shufang; Yu, Keji; Wang, Hou-Ling; Xu, Huimin; Song, Chengwei et al.
Item Type: Refine your search to only Article
Partner: UNT College of Science
open access

Multifaceted Shape Memory Polymer Technology for Biomedical Application: Combining Self-Softening and Stretchability Properties

Description: Article describes how thiol-ene polymers are a promising class of biomaterials with a wide range of potential applications, including organs-on-a-chip, microfluidics, drug delivery, and wound healing. This study investigated the incorporation of di-acrylate chain extenders to improve the stretchability and conformability of those flexible thiol-ene polymers.
Date: October 25, 2023
Creator: Chitrakar, Chandani; Torres, Marc Anthony; Rocha-Flores, Pedro Emanuel; Hu, Qichan & Ecker, Melanie
Item Type: Refine your search to only Article
Partner: UNT College of Engineering
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