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At least 1,405 records · Page 78

Effect of early hydration temperature on hydration product and strength development of magnesium phosphate cement (MPC)

This paper investigates the effect of early hydration temperatures on hydration products and strength development of magnesium phosphate cement (MPC). MPC paste specimens with borate contents of 3%, 6%, 9% and 12% are prepared and cured in different air temperatures and in the adiabatic condition. The internal hydration temperatures are measured by pre-embedded temperature probes. MPC samples with different hydration temperatures are also obtained by using thin slice samples. The hydration products in MPC samples with different hydration temperatures are analyzed by X-ray diffractometer (XRD) and scanning electron microscope (SEM) and the strength development is also measured. The results show that NH{sub 4}MgPO{sub 4}·6H{sub 2}O is the major hydration product and beneficial to strength development of MPC at hydration temperature below 70 °C. NH{sub 4}MgPO{sub 4}·H{sub 2}O is another major product, which significantly decreases the strength, when the temperature is higher than a critical temperature between 70 °C and 75 °C. NH{sub 4}MgPO{sub 4}·H{sub 2}O can directly form in the MPC paste, and comes from the decomposition of NH{sub 4}MgPO{sub 4}·6H{sub 2}O when the temperature is above 75 °C. With temperature elevation and duration extension, NH{sub 4}MgPO{sub 4}·6H{sub 2}O decomposes rapidly, and even entirely when the temperature is above 100 °C. The borate content has no effect on the types of major hydration products and the critical temperature.

36 MATERIALS SCIENCE↗

Mass balance implies Holocene development of a low-relief karst patterned landscape

We constructed mass balances of both calcium and phosphorus for two watersheds in Big Cypress National Preserve in southwest Florida (USA) to evaluate the time scales over which its striking landscape pattern developed. This low-relief carbonate landscape is dotted with evenly spaced, evenly sized, shallow surface depressions that annually fill with surface water and thus support wetland ecosystems (e.g. cypress domes) embedded in a pine-dominated upland matrix with exposed bedrock. Local and landscape scale feedbacks between hydrology, ecological dynamics and limestone dissolution are hypothesized to explain this karst dissolution patterning. This hypothesis requires the region to be wet enough to initiate surface water storage, which constrains landscape formation to interglacial periods. The time scale therefore would be relatively recent if creation of the observed pattern occurred in the current interglacial period (i.e. Holocene), and older time scales could reflect inherited patterns from previous inter-glacial periods, or from other processes of abiotic karstification. We then determined phosphorus stocks across four landscape compartments and estimated the limestone void space (i.e., wetland depression volume) across the landscape to represent cumulative calcium export. We calculated fluxes in (e.g., atmospheric deposition) and out (i.e., solute export) of the landscape to determine landscape denudation rates through mass balance. Comparing stocks and annual fluxes yielded independent estimates of landscape age from the calcium and phosphorus budgets. Our mass balance results indicate that the landscape began to develop in the early-mid Holocene (12,000–5000 ybp). Radiocarbon dating estimates implied similar rates of dissolution (~1 m per 3000–3500 years), and were in agreement with Holocene origin. This supports the hypothesis that ecohydrologic feedbacks between hydrology and vegetation occurring during the present interglacial period are sufficient to shape this landscape into the patterns we see today, and more broadly suggests the potential importance of biota in the development of macro-scale karst features.

54 ENVIRONMENTAL SCIENCES↗

The U.S. Fusion Materials Community Roadmap: Near-term research priorities for the development of plasma-facing and structural materials for fusion power plants

In response to the needs of a rapidly growing private fusion industry, the U.S. Fusion Materials Coordinating Committee (FMCC) and the broader U.S. fusion materials research community undertook an extensive effort to create a comprehensive roadmap for fusion materials development. The result of this effort was the U.S. Fusion Materials Community Roadmap (US-FMCR), which describes the steps needed to advance the technical maturity of leading candidates for plasma-facing materials and structural materials for fusion power plants from laboratory-scale experiments to a point of sufficient technological readiness for industrial adoption and implementation. However, researchers face significant resource constraints as well as very aggressive pilot plant development timelines. Thus, the research strategies detailed in the US-FMCR require further assessment to downselect the specific tasks that must be prioritized within the next two to three years, in order to make the most efficient use of funding, human resources, and experimental facilities. This paper presents an overview of the US-FMCR and its development process. We also present the subset of research objectives that the FMCC identified as the most urgent research priorities for the U.S. fusion materials research community. The state-of-the-art of materials research is also highlighted for each class of materials considered in the US-FMCR. The recommendations presented here integrate an extensive evaluation of the current status of fusion materials research with a broad cross-section of opinion from the wider U.S. fusion community.

Ferry, Sara [Massachusetts Institute of Technology↗

The need for non- or minimally-invasive biomonitoring strategies and the development of pharmacokinetic/pharmacodynamic models for quantification

Advancements in Exposure Science involving the development and deployment of biomarkers of exposure and biological response are anticipated to significantly (and positively) influence health outcomes associated with occupational, environmental and clinical exposure to chemicals/drugs. To achieve this vision, innovative strategies are needed to develop multiplex sensor platforms capable of quantifying individual and mixed exposures (i.e. systemic dose) by measuring biomarkers of dose and biological response in readily obtainable (non-invasive) biofluids. Secondly, the use of saliva (alternative to blood) for biomonitoring coupled with the ability to rapidly analyze multiple samples in real-time offers an innovative opportunity to revolutionize biomonitoring assessments. In this regard, the timing and number of samples taken for biomonitoring will not be limited as is currently the case. In addition, real-time analysis will facilitate identification of work practices or conditions that are contributing to increased exposures and will make possible a more rapid and successful intervention strategy. The initial development and application of computational models for evaluation of saliva/blood analyte concentration at anticipated exposure levels represents an important opportunity to establish the limits of quantification and robustness of multiplex sensor systems by exploiting a unique computational modeling framework. The use of these pharmacokinetic models will also enable prediction of an exposure dose based on the saliva/blood measurement. This novel strategy will result in a more accurate prediction of exposures and, once validated, can be employed to assess dosimetry to a broad range of chemicals in support of biomonitoring and epidemiology studies.

59 BASIC BIOLOGICAL SCIENCES↗

DeePKS-kit: A package for developing machine learning-based chemically accurate energy and density functional models

We introduce DeePKS-kit, an open-source software package for developing machine learning based energy and density functional models. DeePKS-kit is interfaced with PyTorch, an open-source machine learning library, and PySCF, an ab initio computational chemistry program that provides simple and customized tools for developing quantum chemistry codes. It supports the DeePHF and DeePKS methods. In addition to explaining the details in the methodology and the software, we also provide an example of developing a chemically accurate model for water clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A susceptibility gene signature for ERBB2-driven mammary tumour development and metastasis in collaborative cross mice

Background: Deeper insights into ERBB2-driven cancers are essential to develop new treatment approaches for ERBB2+ breast cancers (BCs). We employed the Collaborative Cross (CC) mouse model to unearth genetic factors underpinning Erbb2-driven mammary tumour development and metastasis. Methods: 732 F1 hybrid female mice between FVB/N MMTV-Erbb2 and 30 CC strains were monitored for mammary tumour phenotypes. GWAS pinpointed SNPs that influence various tumour phenotypes. Multivariate analyses and models were used to construct the polygenic score and to develop a mouse tumour susceptibility gene signature (mTSGS), where the corresponding human ortholog was identified and designated as hTSGS. The importance and clinical value of hTSGS in human BC was evaluated using public datasets, encompassing TCGA, METABRIC, GSE96058, and I-SPY2 cohorts. The predictive power of mTSGS for response to chemotherapy was validated in vivo using genetically diverse MMTV-Erbb2 mice. Findings: Distinct variances in tumour onset, multiplicity, and metastatic patterns were observed in F1-hybrid female mice between FVB/N MMTV-Erbb2 and 30 CC strains. Besides lung metastasis, liver and kidney metastases emerged in specific CC strains. GWAS identified specific SNPs significantly associated with tumour onset, multiplicity, lung metastasis, and liver metastasis. Multivariate analyses flagged SNPs in 20 genes (Stx6, Ramp1, Traf3ip1, Nckap5, Pfkfb2, Trmt1l, Rprd1b, Rer1, Sepsecs, Rhobtb1, Tsen15, Abcc3, Arid5b, Tnr, Dock2, Tti1, Fam81a, Oxr1, Plxna2, and Tbc1d31) independently tied to various tumour characteristics, designated as a mTSGS. hTSGS scores (hTSGSS) based on their transcriptional level showed prognostic values, superseding clinical factors and PAM50 subtype across multiple human BC cohorts, and predicted pathological complete response independent of and superior to MammaPrint score in I-SPY2 study. The power of mTSGS score for predicting chemotherapy response was further validated in an in vivo mouse MMTV-Erbb2 model, showing that, like findings in human patients, mouse tumours with low mTSGS scores were most likely to respond to treatment. Interpretation: Our investigation has unveiled many new genes predisposing individuals to ERBB2-driven cancer. Translational findings indicate that hTSGS holds promise as a biomarker for refining treatment strategies for patients with BC.

60 APPLIED LIFE SCIENCES↗

Stakeholder perceptions of Environmental Management Plans as an environmental protection tool for major developments in the UK

Insufficient implementation and the lack of legislative requirements for follow-up measures following the approval of projects are consistently highlighted as major shortcomings of Environmental Impact Assessment (EIA). Although adopted over 15 years ago by the World Bank, Environmental Management Plans (EMPs) were only semi-formalised in the UK in 2008 and arguably provide a continuous link or ‘bridge’ between the EIA process pre-consent and an Environmental Management System (EMS) post-consent. Drawing on twenty-one semi-structured interviews with stakeholders and thematic analysis of their responses, and a broad-scale practitioner survey, this study aimed to assess the effectiveness of EMPs as an environmental protection tool across the project lifecycle for major developments. The findings revealed a mixed picture of EMP effectiveness in practice, with EMPs only partially fulfilling a bridging role between EIA and EMS. There is no ‘gold standard’ terminology for EMPs, all having slightly different uses, thus presenting different focuses to different stakeholders and further enhancing variation in practice. For many stakeholders, the effectiveness was simply not known, due to the lack of communication and follow-up that still exists. EMP–EMS linkages were shown to be effective from the developer's perspective when a single organisation has involvement across all project phases, though weaknesses occur when multiple parties are involved. Among other stakeholders, knowledge varied significantly; whilst some were in agreement that the linkages worked, many were unaware of the connections and thought of them as two quite separate tools. Stakeholders advocated for the need to make EMPs a legal requirement; for improved communication between stakeholders during EMP implementation and increased documentation of project outcomes; and for EMPs to be consistently written by environmental professionals. Furthermore, weak links in the current process may be improved by providing detailed guidance for organisations on the potential for EMP–EMS linkages, with the additional aim of encouraging stakeholders to broaden their current specialist knowledge on environmental protection tools. - Highlights: • We assessed the effectiveness of Environmental Management Plans (EMPs) for major developments, focusing on delivery of mitigation and monitoring. • EIA and Environmental Management Systems (EMS) post-consent are weakly linked. • The use of EMPs varies significantly in practise, partly due to the range of terminology used. • Linkages are hampered by poor communication and follow-up • More detailed guidance on how EMPs can successfully link with EMS is required.

54 ENVIRONMENTAL SCIENCES↗

Determining significance in social impact assessments (SIA) by applying both technical and participatory approaches: Methodology development and application in a case study of the concentrated solar power plant NOOR{sub O} I in Morocco

One of the main objectives of impact assessments is to identify potentially significant impacts. However, determining this significance has received very limited attention as a procedural step in social impact assessments. Consequently, only limited research and documentation exists on approaches, survey tools and evaluation methods, especially with regard to participatory approaches and combined participatory-technical approaches. This study aims to address this research gap by developing and applying a joined participatory and technical impact significance evaluation. The approach is applied in a case study which analysed the livelihood impacts of the large-scale concentrated solar power plant NOOR{sub O} I in Ouarzazate, Morocco. The analysis shows that although different approaches and significance criteria must be applied when involving both local stakeholders and experts, the linked analysis offers more robust results and an improved basis for decision-making. Furthermore, it was observed in the case study that impacts affecting the social, cultural and political spheres were more often considered significant than impacts affecting the physical and material livelihood dimensions. Regarding sustainability assessments of large-scale renewable energy plants, these findings underline the importance (as for other large-scale infrastructure developments) of placing greater emphasis on the inclusion of social aspects in impact assessments. - Highlights: •Significance evaluation in social impact assessments lacks participatory aspects. •Combined participatory and technical impact significance evaluation developed •Application in a case study to analyse the livelihood impacts of a CSP plant •Involvement of local stakeholders and technical experts results in robust findings. •Social, cultural and political issues are often more relevant than material aspects.

54 ENVIRONMENTAL SCIENCES↗

Development of city buildings dataset for urban building energy modeling

Urban building energy modeling (UBEM) is becoming a proven tool to support energy efficiency programs for buildings in cities. Development of a city-scale dataset of the existing building stock is a critical step of UBEM to automatically generate energy models of urban buildings and simulate their performance. This study introduces data needs, data standards, and data sources to develop city building datasets for UBEM. First, a literature review of data needs for UBEM was conducted. Then, the capabilities of the current data standards for city building datasets were reviewed. Moreover, the existing public data sources from several pioneer cites were studied to evaluate whether they are adequate to support UBEM. The results show that most cities have adequate public data to support UBEM; however, the data are represented in different formats without standardization, and there is a lack of common keys to make the data mapping easier. Finally, a case study is presented to integrate the diverse data sources from multiple city departments of San Francisco. The data mapping process is introduced and discussed. It is recommended to use the unique building identifiers as the common keys in the data sources to simplify the data mapping process. Furthermore, the integration methods and workflow are applied to other U.S. cities for developing the city-scale datasets of their existing building stock, including San Jose, Los Angeles, and Boston.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Case study on the novel permitting and authorization of PacWave South, a US grid-connected wave energy test facility: Development, challenges, and insights

Marine energy (i.e., energy from waves, tides, currents, and rivers) in the United States is a nascent industry. In particular, permitting processes—an uncertainty for industry advancement that can be costly and time consuming to navigate—have rarely been tested and used for marine energy. The novelty of the marine energy industry and utilization of open ocean permitting processes that were not originally developed for marine energy have led to extensive efforts to gain consensus amongst state and federal regulatory agencies to authorize marine energy projects. In 2021, Oregon State University successfully completed permitting of a wave energy test facility, called PacWave South, off the coast of Oregon, which is designed to advance wave energy research and development. This article documents the multi-year process that Oregon State University used to receive federal and state authorization for a pre-permitted commercial-scale grid connected facility by detailing the development of the test facility, management of uncertainty and challenges, and key decisions. The PacWave South case study provides insights for the larger marine energy community as the industry advances towards commercialization.

16 TIDAL AND WAVE POWER↗

Development of cathode-electrolyte-interphase for safer lithium batteries

Accompanied by the adoption of aggressive cathodes to continuously improve batteries energy density, enhancing their safety is becoming increasingly urgent for the electric vehicle development. In-situ controllable formation of robust cathode-electrolyte interphase (CEI) with high inorganic content seems to be the most promising strategy to address the thermal runaway concerns. Moreover, the in-situ formation strategy via suitable electrolyte replacement or electrolyte additives is extremely simple yet effective, especially for industrial manufacture of batteries. Here, this paper briefly reviews recent advanced CEIs formed by conventional carbonate-based electrolytes, fluorinated electrolytes, concentrated electrolytes, and solid state electrolytes. The focus on the thermal stability of the cathodes after CEI modification, and at the same time conduct safety tests at the material, cell, and module levels for comprehensive evaluation are encouraged. The review will provide inspiration for future developments in battery safety and push forward the practical applications of newly developed high-energy density batteries.

25 ENERGY STORAGE↗

Development and application of a machine learning based multi-objective optimization workflow for CO 2 -EOR projects

Carbon dioxide-Enhanced Oil Recovery (CO 2 -EOR) is known as one of techniques for hydrocarbon production improvement as wells as an important candidate to reduce greenhouse gas emissions. Thus, an ideal development strategy for a CO 2 -EOR project would consider multiple objectives including to maximize oil recovery, CO 2 storage volume and project economic outcomes. This work proposes a robust computational framework that couples artificial neural network (ANN) and multi-objective optimizers to optimize the aforementioned objectives in CO 2 -EOR processes simultaneously. Expert ANN systems are trained and employed as surrogate models of the high-fidelity compositional simulator in the optimization workflow. The robustness of the development optimization protocol is confirmed via a synthetic injection-pattern-base case study. Afterward a field implementation to Morrow-B formation to optimize the tertiary recovery stage of the field development is discussed. This work compares the optimum solution found using an aggregate objective function and the solution repository (Pareto front) generated by the multi-objective optimization process. The comparison indicates the existence of potential multi-solutions satisfying certain criteria in a CO 2 -EOR project designing, which cannot be found using traditional weighted sum method. The optimization results provide significant insight into the decision-making process of CO 2 -EOR project when multiple objective functions are considered.

02 PETROLEUM↗

Development of intelligent control module for the J-TEXT electron cyclotron emission imaging system

An Electron Cyclotron Emission Imaging (ECEI) system has been developed on the J-TEXT tokamak and employed for the multi-dimensional electron temperature fluctuation imaging measurement in 2019 campaign. The intelligent control module has been developed and been used to flexibly setup the 256-channel ECEI system configurations for different plasma scenarios. The adjustments of key parameters are merged in this module including size and position of the geometric observation window, and the dynamic range of the signal and image resolution. The user-friendly interface is also developed for the tokamak operator to set the ECEI system focusing on physics interested region. Furthermore, this module is installed close to the diagnostic system around the J-TEXT tokamak, which can be remotely controlled by authorized operators in the control room. It significantly improves ECEI flexibility and stability, and also keeps the operation technician away from the harsh radiation environment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Architectural development of an ST fusion device

A recent U.S. National Academy study recommended the development of a next step Sustained High Power Density (SHPD) facility within the U.S. as an intermediate step in designing and building a Pilot Plant device. Several papers have been written describing the physics, design and engineering scoping analysis performed in developing this machine design. This paper places emphasis on the continued evolution of the architectural development of past activities to meet the requirements of an ST fusion pilot plant and power plant. The current effort centers on meeting basic physics and component requirements in a machine design that improves the chance of achieving fission level availability (95%) within an arrangement that promotes design simplicity, offsite construction with on-site modular assembly. As a prelude to both the SHPD and Pilot Plant, a scoping design of a 500MWe Spherical Tokamak Advanced Reactor (STAR) has been defined to investigate design options and physics scenarios that can successfully meet physics performance, engineering requirements and economic conditions of an ST power plant. Following a successful physics/engineering assessment, the STAR Power Plant design will be downsized to meet the specifications established in the design of a near term ST Pilot Plant

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Chemical thermodynamic data. 1. The concept of links to the chemical elements and the historical development of key thermodynamic data [plus Supplementary Electronic Annex 2]

Chemical thermodynamic data remain a keystone for geochemical modeling and reactive transport simulation as applied to an increasing number of applications in the earth sciences, as well as applications in other areas including metallurgy, material science, and industrial process design. The last century has seen the development of a large body of thermodynamic data and a number of major compilations. The past several decades have seen the development of thermodynamic databases in digital form designed to support computer calculations. However, problems with thermodynamic data appear to be persistent. One problem pertains to the use of inconsistent primary key reference data. Such data pertain to elemental reference forms and key, stoichiometrically simple chemical species including metal oxides, CO 2 , water, and aqueous species such as Na + and Cl - . A consistent set of primary key data (standard Gibbs energies, standard enthalpies, and standard entropies for key chemical species) for 298.15K and 1 bar pressure is essential. Thermochemical convention is to define the standard Gibbs energy and the standard enthalpy of an individual chemical species in terms of formation from reference forms of the constituent chemical elements. We propose a formal concept of “links” to the elemental reference forms. This concept involves a documented understanding of all reactions and calculations leading to values for a formation property (standard Gibbs energy or enthalpy). A valid link consists of two parts: (a) the path of reactions and corrections and (b) the associated data, which are key data. Such a link differs from a bare “key” or “reference” datum in that it requires additional information. Some or all of its associated data may also be key data. In evaluating a reported thermodynamic datum, one should identify the links to the chemical elements, a process which can be time-consuming and which may lead to a dead end (an incomplete link). The use of two or more inconsistent links to the same elemental reference form in a thermodynamic database will result in an inconsistency in the database. Thus, in constructing a database, it is important to establish a set of reliable links (generally resulting in a set of primary reference data) and then correct all data adopted subsequently for consistency with that set. Recommended values of key data have not been constant through history. We review some of this history through the lens of major compilations and other influential reports, and note a number of problem areas. Finally, we illustrate the concepts developed in this paper by applying them to some key species of geochemical interest, including liquid water; quartz and aqueous silica; and gibbsite, corundum, and the aqueous aluminum ion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fossil-fueled development (SSP5): An energy and resource intensive scenario for the 21st century

Here, this paper presents a set of energy and resource intensive scenarios based on the concept of Shared Socio-Economic Pathways (SSPs). The scenario family is characterized by rapid and fossil-fueled development with high socio-economic challenges to mitigation and low socio-economic challenges to adaptation (SSP5). A special focus is placed on the SSP5 marker scenario developed by the REMIND-MAgPIE integrated assessment modeling framework. The SSP5 scenarios exhibit very high levels of fossil fuel use, up to a doubling of global food demand, and up to a tripling of energy demand and greenhouse gas emissions over the course of the century, marking the upper end of the scenario literature in several dimensions. The SSP5 marker scenario results in a radiative forcing pathway close to the highest Representative Concentration Pathway (RCP8.5), and represents currently the only socio-economic scenario family that can be combined with climate model projections based on RCP8.5. This paper further investigates the direct impact of mitigation policies on the energy, land and emissions dynamics confirming high socio-economic challenges to mitigation in SSP5. Nonetheless, mitigation policies reaching climate forcing levels as low as in the lowest Representative Concentration Pathway (RCP2.6) are accessible in SSP5. Finally, the SSP5 scenarios presented in this paper aim to provide useful reference points for future climate change, climate impact, adaption and mitigation analysis, and broader questions of sustainable development.

02 PETROLEUM↗

Thermal model development and validation for rapid filling of high pressure hydrogen tanks

This paper describes the development of thermal models for the filling of high pressure hydrogen tanks with experimental validation. Two models are presented; the first uses a one-dimensional, transient, network flow analysis code developed at Sandia National Labs, and the second uses the commercially available CFD analysis tool Fluent. These models were developed to help assess the safety of Type IV high pressure hydrogen tanks during the filling process. The primary concern for these tanks is due to the increased susceptibility to fatigue failure of the liner caused by the fill process. Thus, a thorough understanding of temperature changes of the hydrogen gas and the heat transfer to the tank walls is essential. The effects of initial pressure, filling time, and fill procedure were investigated to quantify the temperature change and verify the accuracy of the models. In this paper we show that the predictions of mass averaged gas temperature for the one and three-dimensional models compare well with the experiment and both can be used to make predictions for final mass delivery. Furthermore, due to buoyancy and other three-dimensional effects, however, the maximum wall temperature cannot be predicted using one-dimensional tools alone which means that a three-dimensional analysis is required for a safety assessment of the system.

42 ENGINEERING↗

Development and testing of a PEM SO 2 -depolarized electrolyzer and an operating method that prevents sulfur accumulation

The hybrid sulfur (HyS) cycle is being developed as a technology to generate hydrogen by splitting water, using heat and electrical power from a nuclear or solar power plant. A key component is the SO 2 -depolarized electrolysis (SDE) cell, which reacts SO 2 and water to form hydrogen and sulfuric acid. SDE could also be used in once-through operation to consume SO 2 and generate hydrogen and sulfuric acid for sale. A proton exchange membrane (PEM) SDE cell based on a PEM fuel cell design was fabricated and tested. Measured cell potential as a function of anolyte pressure and flow rate, sulfuric acid concentration, and cell temperature are presented for this cell. Sulfur accumulation was observed inside the cell, which could have been a serious impediment to further development. A method to prevent sulfur formation was subsequently developed. As a result, this was made possible by a testing facility that allowed unattended operation for extended periods.

08 HYDROGEN↗