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This document summarizes highlights of work that was carried out during the three year grant period 2011-2014 under the grant "Fundamental Physics with Slow Neutrons" at the NIST Center for Neutron Research in Gaithersburg, MD.
The workshop “Fundamental Physics of Ferroelectrics 2019” took place in January 2019 at USF and hosted around 80 participants (from both US and overseas) 32 of whom were early career professionals (PostDocs and graduate students). This was a 2.5 day workshop with 8 invited presentations, 39 oral presentations, and 27 posters. It brought together experts in the area of ferroelectrics and related materials and allowed for interactions, collaborations and exchange of ideas and progress. The invited speakers were Jorge Iniguez (University of Luxembourg), Manila Songvilay (University of Edinburgh), James Scott (St. Andrews), David Singh (University of Missouri), Philippe Ghosez (Université de Liège), Marin Alexe (University of Warwick), Takeshi Egami (University of Tennessee), Sergey Vakhrushev (Ioffe Physical Technical Institute), and Karin Rabe (Rutgers University). The DOE funding was used (i) to provide awards for junior participants (graduate students and PostDocs): best oral presentations (1st, 2nd and 3rd places) and best poster presentations (1st, 2nd and 3rd places). First places in both categories $\$ $300, second places in both categories $\$ $250 and third places in both categories $\$ $200. Information about the awardees available at the conference website.
The objective of our effort under the DOE EPSCoR Implementation grant is to establish a comprehensive and internationally recognized research program at Brown University and University of Rhode Island in understanding degradation mechanisms and to improve the cycle and calendar life of lithium ion battery (LIB) materials. A series of basic investigations are undertaken to characterize the mechanical and chemical degradation mechanisms, which can help enable new higher capacity and longer lasting electrode designs. Controlling mechanical and chemical degradation is the primary challenge in developing the next generation of higher energy density batteries. The development of failure resistant battery microstructures will require a fundamental understanding of the evolution of stress, deformation, damage, and electrochemistry in battery materials during cyclic charging and discharging. In addition, controlling the reactions at the electrode/electrolyte interface is critical for the formation of a stable SEI layer. We address these issues through a combination of controlled experiments on model battery materials and practical composite electrodes, together with multi-scale computations. Our effort is organized into three focus areas that encompass many critical challenges in Lithium Ion Battery Technologies: (i) Mechanical properties, fracture and damage in electrode materials; (ii) Chemistry and Mechanics of Solid Electrolyte Interphase (SEI); (iii) Mechanical and Chemical Integrity of Solid-Solid Interfaces in Practical Electrodes.
The 2019 Workshop on Fundamental Needs for Dynamic and Interactive Thermal Storage Solutions for Buildings was held at Lawrence Berkeley National Laboratory (LBNL) in Berkeley, California, on November 19–20, 2019. The workshop convened 47 individuals involved in thermal, building, and materials science to present and discuss the use of thermal energy storage (TES) associated with buildings. The goals of the event were to revisit recent breakthroughs and identify future research opportunities in scientific areas.
This report covers the reporting period from 08/15/2003 to 08/31/2019. The research activities were focused on the oxidation of methane, nitric oxide, and propylene in addition to contributions on the kinetics, synthesis, theory and characterization of various catalytic systems. As described in the report, we were able to formulate hypotheses, construct specialized equipment and carry out experimental and theoretical work to test the hypotheses. Major advances were accomplished in the fundamental understanding of these systems.
Shale is characterized by the predominant presence of nanometer-scale (1-100 nm) pores. The behavior of fluids in those pores directly controls shale gas storage and release in shale matrix and ultimately the wellbore production in unconventional reservoirs. Recently, it has been recognized that a fluid confined in nanopores can behave dramatically differently from the corresponding bulk phase due to nanopore confinement. CO 2 and H 2 O, either preexisting or introduced, are two major components that coexist with shale gas (predominately CH 4 ) during hydrofracturing and gas extraction. Note that liquid or supercritical CO 2 has been suggested as an alternative fluid for subsurface fracturing such that CO 2 enhanced gas recovery can also serve as a CO 2 sequestration process. Limited data indicate that CO 2 may preferentially adsorb in nanopores (particularly those in kerogen) and therefore displace CH 4 in shale. Similarly, the presence of water moisture seems able to displace or trap CH 4 in shale matrix. Therefore, fundamental understanding of CH 4 -CO 2 -H 2 O behavior and their interactions in shale nanopores is of great importance for gas production and the related CO 2 sequestration. This project focuses on the systematic study of CH 4 -CO 2 -H 2 O interactions in shale nanopores under high-pressure and high temperature reservoir conditions. The proposed work will help develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.
Shale is characterized by the predominant presence of nanometer-scale (1-100 nm) pores. The behavior of fluids in those pores directly controls shale gas storage and release in shale matrix and ultimately the wellbore production in unconventional reservoirs. Recently, it has been recognized that a fluid confined in nanopores can behave dramatically differently from the corresponding bulk phase due to nanopore confinement (Wang, 2014). CO2 and H20, either preexisting or introduced, are two major components that coexist with shale gas (predominately CH4) during hydrofracturing and gas extraction. Note that liquid or supercritical CO2 has been suggested as an alternative fluid for subsurface fracturing such that CO2 enhanced gas recovery can also serve as a CO2 sequestration process. Limited data indicate that CO2 may preferentially adsorb in nanopores (particularly those in kerogen) and therefore displace CH4 in shale. Similarly, the presence of water moisture seems able to displace or trap CH4 in shale matrix. Therefore, fundamental understanding of CH4-0O2-H20 behavior and their interactions in shale nanopores is of great importance for gas production and the related CO 2 sequestration. This project focuses on the systematic study of CH 4 -CO 2 -H 2 0 interactions in shale nanopores under high-pressure and high temperature reservoir conditions. The proposed work will help to develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.
NNSA policy requires that personnel working in the Nuclear Security Enterprise (NSE) receive comprehensive training to be fully capable before they begin their work and that personnel receive ongoing training to maintain their capability and competence. However, the loss of experienced NSE staff through retirements and the influx of personnel who are inexperienced and untrained in nuclear weapons technology make these training requirements difficult to achieve. This paper presents an approach for developing and delivering a nuclear deterrent (ND) fundamentals curriculum to respond to these challenges. The training approach leverages existing material already used by Sandia National Laboratories in the ND training arena and proposes to deliver the material in an e-learning format as much as possible. The approach also seeks to maximize the amount of material to be delivered in an unclassified setting.
This reports the outcomes of the project supporting travel to the 13th INternational COnference on Fundamentals of Adsorption
The current project mainly focused on the fundamental creep cracking mechanism of the Grade 91 system during the operation conditions in the advanced technologies FE power plants and build the link among Composition-Processing Parameters-Phase Stability-Microstructure-Creep Resistance. A model based on computational thermodynamics and diffusion kinetics will be developed to provide guidance on how to improve the creep resistance of the alloy system. The PI mainly investigate the Gr.91 base alloy and weldment with the Integrated Computational Materials Engineering (ICME) approach. The long-term goal of the proposed program is to develop a model for creep and fatigue resistant alloys with different elemental systems, compositions, and processing parameters of weldment and heat-treatment. In addition, new creep and fatigue resistant alloys are to be designed based on the predictions from the model. The computational as well as experimental results include three sections: 1) The compositional optimization and secondary phases evaluation regarding the creep resistance in Grade 91 steel through the CALPHAD approach. In this section, the formation of the critical secondary phases, M23C6, MX and Z-phase were well predicted based on many conditions like the temperature as well as compositions. Meanwhile, the role of different alloying elements was also considered as they will directly affect the formation of the secondary phases mentioned above based on the compositional evolution of the alloying elements. 2) An investigation of Creep Resistance in Grade 91 Steel through Computational Thermodynamics. We systematically considered the evolution of the four critical temperatures, Ac3, Ac1, the threshold of M23C6 and Z-phase, on basis of the computational approach. Meanwhile, the equilibrium cooling as well as Scheil simulations were also considered to perform further predictions based on the different cooling rates. 3) Creep lifetime and microstructural evolution of the Grade 91 steel. In this part, mainly experimental approach was performed on the real creep test from the beginning of the commercial Gr.91 alloys. The alloys were normalized, tempered, welded (Gleeble) and PWHT and finally subjected to the creep lifetime analyses. Finally, all the samples after each process were further characterized based on the OM, XRD and SEM technique to draw final conclusions.
The purpose of this section of this document is to provide a brief summary of the physics aspects of high energy density welding (HEDW). One reason for this is to help elucidate some of the differences between EBW and LBW. A fundamental understanding of these differences can help guide an appropriate choice of process for a particular application.
The phenomenon identification and ranking table (PIRT) process was employed to evaluate the current capability to assess the ability of liquid-salt–fueled molten salt reactors to achieve their fundamental safety functions (FSFs). The PIRT process provides a structured mechanism to elicit and document expert opinions on the most important phenomena and the corresponding level of knowledge with regard to achieving the FSFs. The PIRT panel included reactor developers, accident progression evaluation tool developers, US Department of Energy (DOE) national laboratory technical staff, university researchers, and US Nuclear Regulatory Commission (NRC) staff. The information-gathering process concentrated on phenomena related to accidents in which the fuel salt—including any in the cover gas—has been released from the first barrier layer. This information-gathering process included identifying all potential accidents that could result in the release of a substantial amount of radionuclides that could breach or bypass the first barrier. The PIRT did not identify any previously unrecognized systemic vulnerabilities. However, the elicitation process identified several areas with low levels of knowledge and significant potential impact on accident progression. These areas either require additional research to improve the state of knowledge or additional design conservatism to accommodate the remaining unknowns.
One of the important components of tritium-producing burnable absorber rods (TPBAR) is the γLiAlO 2 layer used in the form of an annular ceramic pellet enriched with the 6 Li isotope. Within TPBAR architecture, this oxide is located between the zircaloy-4 liner and nickel-plated zircaloy-4 tritium getter. When irradiated in a pressurized water reactor (PWR), the 6 Li pellets absorb neutrons, simulating the nuclear characteristics of a burnable absorber rod, and produce tritium ( 3 H, T). The 3 H specie chemically reacts with the metal getter, leading to the formation of a metal hydride. Accurate analysis of the 3 H transport through the ceramic pellets and the barrier/cladding system is hampered by the lack of fundamental data about the hydrogen isotope solubility and diffusivity. In TPBAR architecture, between the γ-LiAlO 2 pellet and the Ni-plated Zircaloy-4 getter (or liner), there is a gas gap. After 3 H diffuses from bulk γ-LiAlO 2 to its surface, it is possible that different 3 H species (such as T, T 2 , T 2 O, and OT, etc.) are formed on this surface which can then get into the gas gap region. Furthermore, upon recombination and desorption molecular tritium can be formed on the γ-LiAlO 2 surface. Therefore, exploring the formation of 3 H-related species on γ-LiAlO 2 surface becomes very important as an integral part of the study of 3H solubility and diffusivity in the pellets.
Due to its excellent irradiation behavior at elevated temperatures, lithium aluminate (LiAlO 2 ) is used in the form of annular ceramic pellets enriched with the 6Li isotope in tritium producing burnable absorber rod (TPBAR). To simulate the nuclear characteristics and produce tritium (T), TPBAR is irradiated by a neutron flux in a pressurized water reactor (PWR). The T diffuses through the pellets and is captured by the metal getter where it chemically reacts and leads to formation of metal hydride. The transport of T in radiation damaged pellets that contain defects and impurities is not clearly understood due to the lack of fundamental studies of T solubility and diffusivity. The other candidate material possessing a similar physical and chemical properties and can be potentially useful as a tritium breading blanket in the future is Lithium Zirconates (Li 2 ZrO 3 ). In FY2017, we investigated the diffusion and solubility properties in irradiation defective LiAlO 2 and Li 2 ZrO 3 crystals with different level of tritium concentration. In FY2018 we continued to explore the diffusivity and solubility properties extensively in those candidate materials.
This is a final close-out report for DOE contract DE-FG02-00ER45818 entitled “Fundamental Studies of Complex Oxides and their Interfaces” at the University of Missouri, Columbia, Missouri. It funded research in Condensed Matter Physics Basic Energy Science from July 1, 2000 through Nov 30, 2022. Presented below are: (i) An overview of the research accomplishments during the entire grant period with highlights of research results from the last funding period, (ii) A list of postdocs and graduate students that received support from this grant, and (iii) A list of original papers published through the duration of the grant with impact factor metrics.
Enriched uranium (U-235) is ubiquitous in the nuclear industry yet many of its fundamental properties have never been studied using magnetic resonance. To remedy this we built a high frequency nuclear quadrupole resonance spectrometer that is capable of measuring the very high quadruple resonance signals of U-235.
This slide deck was developed for and presented at an Energy Fundamentals Course hosted by the Bangladesh University of Engineering and Technology (BUET) in October 2022. The National Renewable Energy Laboratory (NREL) helped organize this course in partnership with the United States Agency for International Development (USAID). The students in this four-day course were postgraduates and working professionals in the energy sector or related industries in Bangladesh. While some of the content in the slide deck is tailored to Bangladesh specifically, this presentation is intended to be a general primer on wind energy that can be utilized for similar purposes by other universities or organizations throughout the world. The content of this slide deck is not intended to be fully comprehensive of all wind energy concepts.
This slide deck was developed for and presented at an Energy Fundamentals Course hosted by the Bangladesh University of Engineering and Technology (BUET) in October 2022. The National Renewable Energy Laboratory (NREL) helped organize this course in partnership with the United States Agency for International Development (USAID). The students in this four-day course were postgraduates and working professionals in the energy sector or related industries in Bangladesh. While some of the content in the slide deck is tailored to Bangladesh specifically, this presentation is intended to be a general primer on electric vehicles that can be utilized for similar purposes by other universities or organizations throughout the world. The content of this slide deck is not intended to be fully comprehensive of all electric vehicle concepts.