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First Principles Based Simulation of Reaction-Induced Phase Transition in Hydrogen Storage and Other Materials

Qingfeng Ge2014-08-31OpenAlex

This major part of this proposal is simulating hydrogen interactions in the complex metal hydrides. Over the period of DOE BES support, key achievements include (i) Predicted TiAl3Hx as a precursor state for forming TiAl3 through analyzing the Ti-doped NaAlH4 and demonstrated its catalytic role for hydrogen release; (…

Hydrogen Storage and MaterialsCatalysis and Hydrodesulfurization StudiesAmmonia Synthesis and Nitrogen Reduction

Integrity Assessment on the Nuclear Transport Cask under the Ballistic Impact

Tae-Ho Yang、Young-Shin Lee、Hyun-Seung Lee2014-08-31Journal of the Korean Society of Safety

As the risk of the various external risk was increased, a study on the integrity assessment of the nuclear transport cask was needed. In this paper, an integrity assessment of the nuclear transport cask under the ballistic impact was studied. The projectile with L/D = 5 was used in simulation. The applied head shapes…

Nuclear Materials and PropertiesGraphite, nuclear technology, radiation studiesNuclear and radioactivity studies

Synthesis and Structure of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide

Kosuke Katagiri2014-08-31YAKUGAKU ZASSHI

Aromatic sulfonamides exist in a synclinal conformation with the twisted structure arising from rotation around the S-N bond in both the solid state and in solution. Simple bidentate ligands containing the sulfonamide moiety can be extended to form elongated ligands, and optically active components can be added to for…

Metal-Organic Frameworks: Synthesis and ApplicationsMetal complexes synthesis and propertiesMagnetism in coordination complexes

Bio-inspired routes for synthesizing efficient nanoscale platinum electrocatalysts

Univ. of California, San Diego, CA (United States)、Jennifer Cha、USDOE Office of Science (SC) 等 4 位作者2014-08-31OpenAlex

The overall objective of the proposed research is to use fundamental advances in bionanotechnology to design powerful platinum nanocrystal electrocatalysts for fuel cell applications. The new economically-viable, environmentally-friendly, bottom-up biochemical synthetic strategy will produce platinum nanocrystals with…

Molecular Junctions and NanostructuresDiatoms and Algae Research

Catalytic hydrogenation of CO2 on rhodium surfaces: in-situ study by field emission techniques

Sten Lambeets、Cédric Barroo、Norbert Kruse 等 4 位作者2014-08-31Dépôt institutionnel de l'Université libre de Bruxelles (Université Libre de Bruxelles)

Turning CO2 gas into useful products is a welcome means to address the issue of global warming. For instance, heterogeneous catalysis may be used to produce methanol by CO2 hydrogenation. To improve the efficiency of respective catalysts, a sound understanding of the reaction processes at the molecular level is requir…

Catalytic Processes in Materials ScienceDiamond and Carbon-based Materials ResearchElectronic and Structural Properties of Oxides

Special Analysis for the Disposal of the Idaho National Laboratory Unirradiated Light Water Breeder Reactor Rods and Pellets Waste Stream at the Area 5 Radioactive Waste Management Site, Nevada National Security Site, Nye County, Nevada

None None、USDOE National Nuclear Security Administration (NNSA)2014-08-31OpenAlex

The purpose of this special analysis (SA) is to determine if the Idaho National Laboratory (INL) Unirradiated Light Water Breeder Reactor (LWBR) Rods and Pellets waste stream (INEL103597TR2, Revision 2) is suitable for disposal by shallow land burial (SLB) at the Area 5 Radioactive Waste Management Site (RWMS). The IN…

Graphite, nuclear technology, radiation studiesNuclear and radioactivity studies

Mock Nuclear Processing Facility-Safeguards Training Requirements

Philip W. Gibbs、USDOE National Nuclear Security Administration (NNSA)、Tim Hasty 等 5 位作者2014-08-31OpenAlex

This document outlines specific training requirements in the topical areas of Material Control and Accounting (MC&A) and Physical Protection(PP) which are to be used as technical input for designing a mock Integrated Security Facility (ISF) at Sandia National Laboratories (SNL). The overall project objective for these…

Graphite, nuclear technology, radiation studiesNuclear and radioactivity studies

Techno-Economic Analysis of Scalable Coal-Based Fuel Cells

Steven S.C. Chuang2014-08-31OpenAlex

Researchers at The University of Akron (UA) have demonstrated the technical feasibility of a laboratory coal fuel cell that can economically convert high sulfur coal into electricity with near zero negative environmental impact. Scaling up this coal fuel cell technology to the megawatt scale for the nation’s electric…

Advancements in Solid Oxide Fuel CellsFuel Cells and Related MaterialsChemical Looping and Thermochemical Processes

Synthesis of functional block copolymers by controled radical polymerization techniques

Marco Oliveira、Ana S. Abreu、A. V. Machado2014-08-31Portuguese National Funding Agency for Science, Research and Technology (RCAAP Project by FCT)

There is increasing interest in designing block copolymer with “smart” molecular architectures capable to carry out a variety of functions. Comprising, at least, two chemically different polymer segments, block copolymer combine the properties of the both original polymers, offering the possibility to tailoring the ph…

Advanced Polymer Synthesis and Characterizationbiodegradable polymer synthesis and propertiesRadioactive element chemistry and processing

Model Experiments Implicate a Benzoquinoneketene Intermediate in Poly-2-hydroxybenzoic Acid Synthesis

Robert B. Bates、Matthew Hettinger、H. K. Hall2014-08-31OpenAlex

To show that the polyester formation from 2-hydroxybenzoic acid (2-HBA) with base and heat proceeds partly via the ketoketene 2-oxo-3,5-cyclohexadienylideneketene, the polymer was first formed from a dimer of 2-HBA. Then a related dimer which could not form this ketoketene was shown to yield no polymer. When secondary…

Synthetic Organic Chemistry MethodsCarbon dioxide utilization in catalysisSynthesis and properties of polymers

Evaluation of thiosemicarbazones against Artemia sp and comparison with the overall result against Toxoplasma gondii

Bárbara S. Rocha、Marco Ant、Gabriela Batista Gomes 等 4 位作者2014-08-31OpenAlex

The thiosemicarbazones is a class widely used in medicinal chemistry, and several reported utilization against Toxoplasma gondii. The paper proposes to perform the toxicity test using Artemia sp, which is a cheap method, and verifying the similarity of the results.

Hepatitis C virus researchToxoplasma gondii Research StudiesDendrimers and Hyperbranched Polymers

Fabrication of mineral fiber via melt spinning method from blast furnace slag

Xiaosong Wang、Bo-Young Hur2014-08-31Journal of the Korean Crystal Growth and Crystal Technology

Mineral fiber, or be called mineral wool when it assembles in large amounts, is a kind of wide applied man-made material with excellent thermal and acoustic insulation properties. In this work, mineral fiber was produced via melt spinning method by using iron blast furnace slag as raw material. Two critical experiment…

Granular flow and fluidized bedsCellular and Composite StructuresGraphite, nuclear technology, radiation studies

The Electrochemical Studies of Non-enzymatic Glucose Sensor on the Nickel Nanoparticle-deposited ITO Electrode

In-Don Oh、Samantha Kim、Young‐Bong Choi2014-08-31Journal of the Korean Electrochemical Society

무효소 혈당센서는 높은 선택성과 민감성을 가지고 저비용으로 체내 혈당(glucose)을 검출할 수차세대 기술이다. 현재 시판되고 있는 혈당센서는 당을 산화시켜주는 당산화효소와 전극과 효소사이에 전자 전달을 원활하게 해주는 산화/환원 매개체를 이용하여 효소센서로 제작된다. 그러나 이러한 효소센서는 pH, 온도, 습도, 화학적 독성물질 등에 영향을 많이 받아 안정성이 떨어지고, 제작에 비용이 많이 드는 단점을 가지고 있다. 본 논문은 위와 같은 단점을 해결하고자 환원제인 당에 의하여 환원되는 니켈 나노입자를 전기화학적 흡착방법을 이용하여 산화 인듐 주석 전극 (ITO)…

Electrochemical sensors and biosensorsConducting polymers and applicationsAnalytical Chemistry and Sensors

Development of an Earthquake-Resistant Model for a High-Level Waste Disposal Canister

Young-Chul Choi、Chan-Hoon Yoon、Hyun-Ah Kim 等 4 位作者2014-08-31Tunnel and Underground Space

고준위 방사성 폐기물 처분시스템은 지하 500 m 심도에서 암반에 터널을 뚫어 고준위폐기물 처분용기를 넣고 주위를 완충재로 매우는 형태이다. 많은 통계 자료에 의하면 한반도에서 매년 지진이 증가하는 추세이며, 지진이 발생할 경우 지하에서 발생된 전단력에 의해 처분용기가 손상될 수 있다. 더 나아가 방사성 유해물질이 유출되어 큰 환경 문제가 유발될 수 있다. 이에 본 논문에서는 지진에 대해 안전하게 보호할 수 있는 방법으로 내진형 완충재를 개발하였다. 내진 성능에 영향을 미치는 주요인자를 분석하여 내진형 완충재를 설계하였고, ABAQUS를 이용하여 전단해석모델을 개발…

Geophysical Methods and ApplicationsGraphite, nuclear technology, radiation studiesNuclear and radioactivity studies

The study on the protection method from corrosion by the sealant injection on the unpainted weathering steel top flange outer surface of box girder

Chang-Young Song2014-08-31Corrosion Science and Technology

In corrosion-sensitive area of exsisting unpainted weathering steel bridge with closed box girder structure. there are some serious local corrosion problems because of rain water or dew water which can not be solved by conventional maintenance method. These problems must be technically controled because of the influen…

Corrosion Behavior and InhibitionMechanical stress and fatigue analysisEngineering Applied Research

Analytical Approximation of the Relaxation Time Spectrum of Monodisperse Linear Polymer Melts

Joong Hwan Choi2014-08-31Textile Science and Engineering

The relaxation time spectrum is a versatile parameter to calculate various polymer viscoelastic properties, such as the relaxation modulus (G(t)), dynamic modulus (G'( ${\omega}$ )) and loss modulus (G"( ${\omega}$ )). However, it cannot be measured experimentally. This study calculated the relaxation time spectrum us…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesRheology and Fluid Dynamics Studies

Understanding ASTM Turbine Fuel Standard Specifications

Ronald F. Brender、Gözdem Kılaz2014-08-31International Review of Aerospace Engineering (IREASE)

An overview is presented of the three primary ASTM International standards regarding aviation turbine fuels: D1655 Standard Specification for Aviation Turbine Fuels, D4054 Standard Practice for Qualification and Approval of New Aviation Turbine Fuels and Fuel Additives, and D7566 Standard Specification for Aviation Tu…

Nuclear Materials and PropertiesRocket and propulsion systems researchNuclear and radioactivity studies

Comparison of Standards for a 1ϕ 2 W MCCB and Study on the Evaluation of Heat Resistance Characteristics

Chung-Seog Choi、Jaehyuk Lee2014-08-31Fire science and engineering

단상 2선식 MCCB의 관련 기준을 분석하고, 내열 특성을 평가하여 다음과 같은 결과를 얻었다. KS C 8321은 IEC 60947-2의 규격을 부합화되어 관련 규정 대부분이 유사하다. NFPA는 사용자 중심의 안전 규정을 제시한 것으로 시험 또는 검사 등의 세부 사항은 없으나 안전에 직접 관련이 있는 규정이 구체적으로 명시되어 있다. KS C 8321은 시험과 검사에 대한 항목이 세부적으로 분류되어 있는 것을 알 수 있다. 그러나 IEC 60947-2와 IEEE C37.51의 경우 시험 및 검사 항목을 간소화하거나 일부 생략되어 있다. 내열 실험 장치를 이용하여…

Advanced ceramic materials synthesisRadiative Heat Transfer StudiesEngineering Applied Research

Numerical Study on Steam-Methane Reaction Process in a Single Tube Considering Porous Catalyst

Joo Hyun Moon、Seong Hyuk Lee、Kee Bong Yoon 等 4 位作者2014-08-31Journal of the Korean Institute of Gas

본 연구에서는 촉매가 들어있는 고정층 반응로의 단일 개질관에 대하여 전산 유체 해석(Fluent ver. 13.0)을 수행하여 열/유동 특성을 파악하고, 주입 가스에 따른 추출 가스의 종류를 다공성에 따라 예측하였다. 촉매 형상을 모델링하기 위하여, 개질관 내부에 있는 촉매를 모두 다공성 물질이라고 가정하고, 수정된 Eugun 식을 해석에 적용하였다. 유체의 공극률을 기준으로 0.545, 0.409, 그리고 0.403로 설정하고, 결과를 비 다공성인 경우와 비교하였다. 수치해석 결과, 개질관 벽면의 온도는 흡열반응과 주변 열전달로 인하여 개질관의 온도보다 높게 나타…

Catalytic Processes in Materials ScienceCatalysts for Methane ReformingCatalysis and Hydrodesulfurization Studies