Showing papers by "United States Department of Energy published in 2022"

Application of Ionic Liquids for the Recycling and Recovery of Technologically Critical and Valuable Metals

Abstract: Population growth has led to an increased demand for raw minerals and energy resources; however, their supply cannot easily be provided in the same proportions. Modern technologies contain materials that are becoming more finely intermixed because of the broadening palette of elements used, and this outcome creates certain limitations for recycling. The recovery and separation of individual elements, critical materials and valuable metals from complex systems requires complex energy-consuming solutions with many hazardous chemicals used. Significant pressure is brought to bear on the improvement of separation and recycling approaches by the need to balance sustainability, efficiency, and environmental impacts. Due to the increase in environmental consciousness in chemical research and industry, the challenge for a sustainable environment calls for clean procedures that avoid the use of harmful organic solvents. Ionic liquids, also known as molten salts and future solvents, are endowed with unique features that have already had a promising impact on cutting-edge science and technologies. This review aims to address the current challenges associated with the energy-efficient design, recovery, recycling, and separation of valuable metals employing ionic liquids.

Uncovering Hidden Members and Functions of the Soil Microbiome Using <i>De Novo</i> Metaproteomics

Abstract: Metaproteomics has been increasingly utilized for high-throughput characterization of proteins in complex environments and has been demonstrated to provide insights into microbial composition and functional roles. However, significant challenges remain in metaproteomic data analysis, including creation of a sample-specific protein sequence database. A well-matched database is a requirement for successful metaproteomics analysis, and the accuracy and sensitivity of PSM identification algorithms suffer when the database is incomplete or contains extraneous sequences. When matched DNA sequencing data of the sample is unavailable or incomplete, creating the proteome database that accurately represents the organisms in the sample is a challenge. Here, we leverage a de novo peptide sequencing approach to identify the sample composition directly from metaproteomic data. First, we created a deep learning model, Kaiko, to predict the peptide sequences from mass spectrometry data and trained it on 5 million peptide–spectrum matches from 55 phylogenetically diverse bacteria. After training, Kaiko successfully identified organisms from soil isolates and synthetic communities directly from proteomics data. Finally, we created a pipeline for metaproteome database generation using Kaiko. We tested the pipeline on native soils collected in Kansas, showing that the de novo sequencing model can be employed as an alternative and complementary method to construct the sample-specific protein database instead of relying on (un)matched metagenomes. Our pipeline identified all highly abundant taxa from 16S rRNA sequencing of the soil samples and uncovered several additional species which were strongly represented only in proteomic data.

Neural network potential for Zr-Rh system by machine learning.

Abstract: Zr-Rh metallic glass has enabled its many applications in vehicle parts, sports equipment and so on due to its outstanding performance in mechanical property, but the knowledge of the microstructure determining the superb mechanical property remains yet insufficient. Here, we develop a deep neural network potential of Zr-Rh system by using machine learning, which breaks the dilemma between the accuracy and efficiency in molecular dynamics simulations, and greatly improves the simulation scale in both space and time. The results show that the structural features obtained from the neural network method are in good agreement with the cases inab initiomolecular dynamics simulations. Furthermore, we build a large model of 5400 atoms to explore the influences of simulated size and cooling rate on the melt-quenching process of Zr77Rh23. Our study lays a foundation for exploring the complex structures in amorphous Zr77Rh23, which is of great significance for the design and practical application.

Stalker: Sculpting in Time

Abstract: <p><b>In his 1979 film Stalker, Russian filmmaker Andrei Tarkovsky challenges normative notions of space and temporality. He refers to this as “sculpting in time”, arguing that a filmmaker—like a sculptor—redacts, excavates and curates material to reveal a final product. In relation to architecture, time is typically considered as the linear trajectory of continued existence, and temporality is the perception of experienced time by an individual. Tarkovsky, however, proposes that ‘polyscreen’ cinema - showing multiple perspectives of the same scene simultaneously on several screens - provides a filmic opportunity for experiencing multiple temporal realities all at once.</b></p> <p>The way we look at architecture is typically through a single temporal and spatial lens, which by default masks the multiplicity of temporal conditions that an architecture may represent and a visitor to architecture may experience.</p> <p>This thesis examines how speculative architecture can challenge architecture’s normative notions of space and temporality and simultaneously engender a multiplicity of temporal conditions. Using Tarkovsky’s film Stalker as a generative framework for an allegorical architectural proposition, the principle aim of this design-led research investigation is to investigate ways in which architecture can challenge normative notions of space and temporality by “sculpting in time”. Building upon and translating Tarkovsky’s filmic methods to architectural experiment, the principal research objectives are 1) to explore how excavation can redefine place identity through spatial and temporal relationships; 2) to explore how redaction can simultaneously establish multiple spatial and temporal conditions; and 3) to explore how curation can be used to re-present the allegorical implications of multiple spatial and temporal conditions.</p>

Produced Water Overview

Abstract: Oil and gas deposits are generally colocated with water, which is coproduced with oil and gas during production. Produced water does not have a market as do oil and gas, so it is considered a waste. The cost of its disposal is very low compared to the potential cost of treating the produced water for reuse. The initial character of produced water will include those elements dissolved by the water during the centuries that it lay buried in the unique geologic setting. It will also include any chemicals added during oil and gas exploration and production operations plus any nascent bacteria in the original geologic setting. Also affecting the character of the produced water are any bones, plant residues, shells, and other materials that were deposited and buried in these geologic deposits. Treatment technologies that can change the character of the produced water depend on the initial produced water constituent profile and the profile needed for reuse and cost. Potential areas of reuse for treated produced water include oilfield, agriculture, and manufacturing. However, reuse of produced water is primarily associated with oilfield reuse. This is because there are few policies and regulations in place or being put in place for the use of treated produced water outside the oilfield. This is a topic of interest to various stakeholders in the over 30 oil- and gas-producing states in the USA. This chapter provides an overview of characteristics, treatment, and beneficial reuse of produced water plus some policy and regulatory considerations and stakeholder viewpoints.

Multiphase Flow Phenomena (Gas/Solid and Gas/Liquid Systems)

Abstract: The basic properties of gas/solid and gas/liquid two-phase flows are examined. In the gas/solid flow section, fluidization concepts, flow regimes, and Geldart particle classifications are discussed. In the gas/liquid flow section, an overview is provided and fundamental relations of gas/liquid two-phase flows and some differences between gas/liquid flows and single-phase flow are explained. Furthermore, classical gas/liquid flow regimes maps and co-current gas/liquid flow patterns are discussed.

Validation of a Semi-empirical Procedure for Estimating Steady-State, Groundwater Inflows in Shallow Rock Tunnels Through Case Study Analyses

Abstract: The construction of tunnels in rock terrain has increased in importance around the world as the need for new transportation routes and water and wastewater conveyances has grown. Large cities and nearby suburbs have limited space for extensive, above-ground thoroughfares; therefore, underground systems may be the only viable means for developing new infrastructure. Excessive groundwater inflow into rock tunnels under construction can injury personnel and terminate the construction of the tunnel project. Therefore, it is important to accurately estimate groundwater inflow into rock tunnels. A semi-empirical procedure for estimating steady-state, groundwater inflow in shallow rock tunnels is presented and discussed in this paper. In addition, this paper presents two case study analyses which include the Elizabethtown tunnel in New Jersey and the Toledo tunnel in Ohio. Packer test (i.e., pressure test) data was analyzed for both case studies utilizing this semi-empirical procedure. This paper reviews the basic theory behind the procedure and validates the procedure through case study analyses. It also describes previous proposed modifications and clarifies the need for any such modifications. In general, good groundwater inflow estimates were derived for shallow rock tunnels utilizing this semi-empirical procedure. This research will benefit large and small municipalities (e.g., owners of major infrastructure tunnels projects) who need to install underground conveyances for water supply lines, sewer lines, railway, and roadways. By knowing the amount of water that might flow into the rock tunnel during its construction, the owners will save money, but more importantly lives if groundwater inflow are estimated accurately.