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At least 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Flux growth in a horizontal configuration: An analog to vapor transport growth

Flux growth of single crystals is normally performed in a vertical configuration with an upright refractory container holding the flux melt. At high temperatures, flux dissolves the charge, forming a homogeneous solution before nucleation and growth of crystals takes place under proper supersaturation generated by cooling or evaporating the flux. In this paper, we report flux growth in a horizontal configuration with a temperature gradient along the horizontal axis: a liquid transport growth analogous to the vapor transport technique. In a typical liquid transport growth, the charge is kept at the hot end of the refractory container and the flux melt dissolves the charge and transfers it to the cold end. Once the concentration of charge is above the solubility limit at the cold end, the thermodynamically stable phase nucleates and grows. Compared to the vertical flux growth, the liquid transport growth can provide a large quantity of crystals in a single growth since the charge/flux ratio is not limited by the solubility limit at the growth temperature. This technique is complementary to the vertical flux growth and can be considered when a large amount of crystals is needed but the yield from the conventional vertical flux growth is limited. Finally, we applied this technique to the growth of IrSb 3 , Mo 3 Sb 7 , and MnBi from self-flux, and the growth of FeSe, CrTe 3 , NiPSe 3 , FePSe 3 , CuInP 2 S 6 , RuCl 3 , and OsCl 4 from a halide flux.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Transitions in the morphology and critical stresses of gliding dislocations in multiprincipal element alloys

Refractory multiprincipal element alloys (MPEAs) are promising material candidates for high-temperature, high-strength applications. However, their deformation mechanisms, particularly at the dislocation scale, are unusual compared to those of conventional alloys, making it challenging to understand the origin of their high strength. Here, using an atomistically informed phase-field dislocation dynamics model, we study transitions in the morphology and critical stresses of long gliding screw dislocations over extended distances in a refractory MPEA. The model MPEA crystal accounts for the atomic-scale fluctuations in chemical composition across the glide planes via spatially correlated lattice energies and for the differences in glide resistances between screw and edge dislocations of unit length. Here, we show that the dislocation moves in a stop-start motion, alternating between wavy morphology in free flight and nearly recovered straight screw orientation in full arrest. The periods of wavy glide are due to variable kink-pair formation and migration rates along the length, where portions with higher rates glide more quickly. The critical stress to initiate motion corresponds to the stress required to form and migrate a kink pair at the weakest region along the length of the dislocation. Heterogeneity in lattice energy leads to variability in the local stress-strain response and to a strain hardening-like response, in which the critical stress to reactivate glide increases with glide distance. Statistical assessment of hundreds of realizations of dislocations indicates that the amount of hardening directly scales with the dispersion in underlying lattice energy.

3-dimensional systems↗
DOE OSTI2025

Allopregnanolone as an Adjunct Therapy to Midazolam is More Effective Than Midazolam Alone in Suppressing Soman‐Induced Status Epilepticus in Male Rats

ABSTRACT Aims Humans and animals acutely intoxicated with the organophosphate soman can develop sustained status epilepticus (SE) that rapidly becomes refractory to benzodiazepines. We compared the antiseizure efficacy of midazolam, a current standard of care treatment for OP‐induced SE, versus combined therapy with midazolam and allopregnanolone (ALLO) in a rat model of soman‐induced SE. Methods Soman‐intoxicated male rats with robust seizure behavior and high‐amplitude electroencephalographic (EEG) activity were administered midazolam (0.65 mg, i.m.) 20 min after seizure initiation and 10 min later either a second dose of midazolam or ALLO (12 or 24 mg/kg, i.m.). Seizure behavior and EEG were monitored for 4 h after treatment. Brains were collected at the end of the monitoring period for histological analyses. Results Animals receiving 2 doses of midazolam exhibited persistent SE. Sequential dosing with midazolam followed by ALLO suppressed electrographic seizure activity. The combination therapy also significantly reduced soman‐induced neurodegeneration and neuroinflammation compared to 2 doses of midazolam. High but not low dose ALLO was associated with transitory and reversible respiratory compromise during the 1 h period after dosing. Conclusions Treatment with midazolam followed by ALLO was more effective than 2 doses of midazolam in suppressing benzodiazepine‐refractory, soman‐induced SE, and in mitigating its acute neuropathological consequences.

Andrew, Peter M. [Department of Molecular Bioscien↗
DOE OSTI2014

In Situ Diffraction from Levitated Solids Under Extreme Conditions—Structure and Thermal Expansion in the Eu 2 O 3 –ZrO 2 System

The accurate determination of structure and thermal expansion of refractory materials at temperatures above 1500°C is challenging. Here, for the first time, we demonstrate the ability to reliably refine the structure and thermal expansion coefficient of oxides at temperatures to 2200°C using in situ synchrotron diffraction coupled with aerodynamic levitation. Solid solutions in the Eu 2 O 3 –ZrO 2 binary system were investigated, including the high‐temperature order–disorder transformation in Eu 2 Zr 2 O 7 . The disordered fluorite phase is found to be stable above 1900°C, and a reversible phase transition to the pyrochlore phase is noticed during cooling. Site occupancies in Eu 2 Zr 2 O 7 show a gradual increase in disorder on both cation and anion sublattices with increasing temperature. The thermal expansion coefficients of all cubic solid solutions are relatively similar, falling in the range 8.6–12.0 × 10 −6 C −1 . These studies open new vistas for in situ exploration of complex structural changes in high‐temperature materials.

Maram, Pardha S.↗
DOE OSTI2017

Melter feed viscosity during conversion to glass: Comparison between low-activity waste and high-level waste feeds

During nuclear waste vitrification, a melter feed (generally a slurry-like mixture of a nuclear waste and various glass forming and modifying additives) is charged into the melter where undissolved refractory constituents are suspended together with evolved gas bubbles from complex reactions. Knowledge of flow properties of various reacting melter feeds is necessary to understand their unique feed-to-glass conversion processes occurring within a floating layer of melter feed called a cold cap. The viscosity of two low-activity waste (LAW) melter feeds were studied during heating and correlated with volume fractions of undissolved solid phase and gas phase. In contrast to the high-level waste (HLW) melter feed, the effects of undissolved solid and gas phases play comparable roles and are required to represent the viscosity of LAW melter feeds. This study can help bring physical insights to feed viscosity of reacting melter feeds with different compositions and foaming behavior in nuclear waste vitrification.

Jin, Tongan↗
DOE OSTI2023

A prediction of the thermodynamic, thermophysical, and mechanical properties of CrTaO 4 from first principles

It is reported that the self-forming CrTaO 4 oxide scale can protect refractory high-entropy alloys from oxidation, superior to Cr 2 O 3 . In this paper, the phase stability, mechanical, and thermal properties of three polymorphous phases of CrTaO 4 are systematically investigated from first-principles density functional theory calculations. The mechanical properties predicted using the strain–energy methods indicated that all three phases are mechanically stable. The temperature dependence of elastic constants and polycrystalline moduli of three phases demonstrated the thermal softening as temperature increase. The Helmholtz-free energies as a function of volume and temperature are derived from phonon dispersions within the quasi-harmonic approximation at six strained volumes. The calculated apparent bulk coefficients of thermal expansion of these three phases are evaluated, the highest value approximately 13.4× 10 –6 K –1 within a temperature range of 500–2000 K for the rutile I4 1 md phase. The lattice thermal conductivity calculated by the Debye–Callaway model suggested that the rutile type I4 1 md phase has the lowest value of approximately 2.1 W/m/K at 1800 K. The other two phases, C2/m and P2/c, exhibit higher values due to relatively lower Grüneisen parameters and larger phonon velocities. The melting point of CrTaO 4 is predicted to be between 1975 and 2449 K using ab initio molecular dynamics simulations. Finally, this work provides a comprehensive theoretical understanding of the thermodynamic, mechanical, and thermal properties for the new material CrTaO 4 and serves as an example of a viable computational design strategy for improved oxidation resistance of refractory alloys at high temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-F-T-647: Linac-Based Stereotactic Radiosurgery (SRS) in the Treatment of Trigeminal Neuralgia: Detailed Description of SRS Procedural Technique and Reported Clinical Outcomes

Purpose: SRS is an effective non-invasive alternative treatment modality with minimal-toxicity used to treat patients with medically/surgically refractory trigeminal neuralgia root(TNR) or those who may not tolerate surgical intervention. We present our linac-based SRS procedure for TNR treatment and simultaneously report our clinical outcomes. Methods: Twenty-eight TNR-patients treated with frame-based SRS at our institution (2009–2015) with a single-fraction point-dose of 60-80Gy to TNR were included in this IRB-approved study. Experienced neurosurgeon and radiation oncologist delineated the TNR on 1.0mm thin 3D-FIESTA-MRI that was co-registered with 0.7mm thin planning-CT. Treatment plans were generated in iPlan (BrainLAB) with a 4-mm diameter cone using 79 arcs with differential-weighting for Novalis-TX 6MV-SRS(1000MU/min) beam and optimized to minimize brainstem dose. Winston-Lutz test was performed before each treatment delivery with sub-millimeter isocenter accuracy. Quality assurance of frame placement was maintained by helmet-bobble-measurement before simulation-CT and before patient setup at treatment couch. OBI-CBCT scan was performed for patient setup verification without applying shifts. On clinical follow up, treatment response was assessed using Barrow Neurological Institute Pain Intensity Score(BNI-score:I–V). Results: 26/28 TNR-patients (16-males/10-females) who were treated with following single-fraction point-dose to isocenter: 80Gy(n=22),75Gy(n=1),70Gy(n=2) and 60Gy(n=1, re-treatment) were followed up. Median follow-up interval was 8.5-months (ranged:1–48.5months). Median age was 70-yr (ranged:43–93-yr). Right/left TNR ratio was 15/11. Delivered total # of average MUs was 19034±1204. Average beam-on-time: 19.0±1.3min. Brainstem max-dose and dose to 0.5cc were 13.3±2.4Gy (ranged:8.1–16.5Gy) and 3.6±0.4Gy (ranged:3.0–4.9Gy). On average, max-dose to optic-apparatus was ≤1.2Gy. Mean value of max-dose to eyes/lens was 0.26Gy/0.11Gy. Overall, 20-patients (77%) responded to treatment: 5(19%) achieved complete pain relief without medication (BNI score: I); 5(19%) had no-pain, decreased medication (BNI-score:II); 2(7.7%) had no-pain, but, continued medication (BNI-score:IIIA), and 8(30.8%) had pain that was well controlled by medication (BNI-score: IIIB). Six-patients (23.0%) did not respond to treatment (BNI-score:IV–V). Neither cranial nerve deficit nor radio-necrosis of temporal lobe was clinically observed. Conclusion: Linac-based SRS for medically/surgically refractory TNR provided an effective treatment option for pain resolution/control with very minimal if any normal tissue toxicity. Longer follow up of these patients is anticipated/needed to confirm our observations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Outstanding radiation resistance of tungsten-based high-entropy alloys

A body-centered cubic W-based refractory high entropy alloy with outstanding radiation resistance has been developed. The alloy was grown as thin films showing a bimodal grain size distribution in the nanocrystalline and ultrafine regimes and a unique 4-nm lamella-like structure revealed by atom probe tomography (APT). Transmission electron microscopy (TEM) and x-ray diffraction show certain black spots appearing after thermal annealing at elevated temperatures. TEM and APT analysis correlated the black spots with second-phase particles rich in Cr and V. No sign of irradiation-created dislocation loops, even after 8 dpa, was observed. Furthermore, nanomechanical testing shows a large hardness of 14 GPa in the as-deposited samples, with near negligible irradiation hardening. Theoretical modeling combining ab initio and Monte Carlo techniques predicts the formation of Cr- and V-rich second-phase particles and points at equal mobilities of point defects as the origin of the exceptional radiation tolerance.

36 MATERIALS SCIENCE↗
DOE OSTI2026

DLK1 is a GATA1s-driven dependency and therapeutic target in Down syndrome–associated myeloid leukemia

Children with Down syndrome have a markedly increased risk of developing myeloid leukemia. Although having an excellent prognosis, 10% to 20% develop relapsed or refractory disease with poor survival, highlighting the need for new targeted approaches. The pathogenesis of myeloid leukemia of Down syndrome (ML-DS) is tightly linked to fetal hematopoiesis and mutations in GATA1, generating the truncated GATA1 short (GATA1s) isoform. We identified Delta-like noncanonical Notch ligand 1 (DLK1) as a direct GATA1s target. DLK1, a paternally imprinted transmembrane protein, is highly expressed in fetal liver CD34 + cells but absent in adult hematopoiesis, making it an attractive immunotherapeutic target. Chromatin profiling revealed GATA1s occupancy at a distal enhancer within the DLK1-DIO3 locus, driving aberrant DLK1 upregulation in ML-DS. Functional studies demonstrated that DLK1 is a leukemia dependency, as its genetic ablation impaired proliferation and engraftment, induced apoptosis, and altered Notch and β-catenin signaling. Therapeutically, a DLK1-directed antibody-drug conjugate–induced selective cytotoxicity, abrogated colony formation, and significantly prolonged survival in refractory ML-DS patient-derived xenograft (PDX) models, achieving durable remissions at higher doses. These findings establish DLK1 as a leukemia-specific vulnerability and provide preclinical proof-of-concept for DLK1-targeted therapies in ML-DS and other leukemias with fetal-like expression programs.

Biological and medical sciences↗
DOE OSTI2016

A Slag Management Toolset for Determining Optimal Coal Gasification Temperatures

Abstract Gasifier operation is an intricate process because of the complex relationship between slag chemistry and temperature, limitations of feedstock materials, and operational preference. High gasification temperatures increase refractory degradation, while low gasification temperatures can lead to slag buildup on the gasifier sidewall or exit, either of which are problematic during operation. Maximizing refractory service life and gasifier performance require finding an optimized operating temperature range which is a function of the coal slag chemistry and viscosity. Gasifier operators typically use a slag’s viscosity-temperature relationship and/or ash-fusion fluid temperature to determine the gasification temperature range. NETL has built a slag management toolset to determine the optimal temperature range for gasification of a carbon feedstock. This toolset is based on a viscosity database containing experimental data, and a number of models used to predict slag viscosity as a function of composition and temperature. Gasifier users typically have no scientific basis for selecting an operational temperature range for gasification, instead using experience to select operational conditions. The use of the toolset presented in this paper provides a basis for estimating or modifying carbon feedstock slags generated from ash impurities in carbon feedstock.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

An engineering perspective on evaluating mechanisms governing ductility in pure molybdenum

The United States lacks a stable domestic supply of 99 mTc, a critical medical imaging isotope generated from 99 Mo. Accelerator-based production using 100 Mo targets (aMo) introduces mechanical concerns due to the ductile-to-brittle transition temperature inherent to refractory metals like Mo. This study evaluates the tensile behavior of aMo targets from 25 to 1000 °C, compared to powder-metallurgy-processed natural Mo (PMo) and cast-and-rolled Mo (RMo), both as-received and after 5 ppm O 2 exposure in flowing He. RMo showed superior ductility (7.3% at 25 °C, 48% at 1000 °C) and strength, attributed to its fine, elongated grains and high geometrically necessary dislocation density. PMo exhibited variable ductility (up to 33%), while aMo remained brittle, with a maximum elongation of 10.4% at 600 °C. EBSD analysis revealed weak texture in PMo and aMo, but high defect density in aMo limited dislocation mobility. This work links processing, microstructure, and deformation mechanisms to guide fabrication of ductile refractory targets.

Hyer, Holden C. [Oak Ridge National Laboratory (OR↗
DOE OSTI2012

In Vitro Dissolution Tests of Plutonium and Americium Containing Contamination Originating From ZPPR Fuel Plates

Assessing the extent of internal dose is of concern whenever workers are exposed to airborne radionuclides or other contaminants. Internal dose determinations depend upon a reasonable estimate of the expected biological half-life of the contaminants in the respiratory tract. One issue with refractory elements is determining the dissolution rate of the element. Actinides such as plutonium (Pu) and Americium (Am) tend to be very refractory and can have biological half-lives of tens of years. In the event of an exposure, the dissolution rates of the radionuclides of interest needs to be assessed in order to assign the proper internal dose estimates. During the November 2011 incident at the Idaho National Laboratory (INL) involving a ZPPR fuel plate, air filters in a constant air monitor (CAM) and a giraffe filter apparatus captured airborne particulate matter. These filters were used in dissolution rate experiments to determine the apparent dissolution half-life of Pu and Am in simulated biological fluids. This report describes these experiments and the results. The dissolution rates were found to follow a three term exponential decay equation. Differences were noted depending upon the nature of the biological fluid simulant. Overall, greater than 95% of the Pu and 93% of the Am were in a very slow dissolving component with dissolution half-lives of over 10 years.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2013

Development of Technologies and Capabilities for Coal Energy Resources

This is the final report for the Aerojet Rocketdyne (AR) Advanced Gasification Systems Development (AGSD) project that was initiated on October 1, 2004. The project’s primary objective is to demonstrate technologies that improve the availability and efficiency of gasification-based power plants and to reduce plant capital and operational costs. The objective will be accomplished by (1) development and testing of cooled refractory liners, (2) feed system development and demonstration, (3) pilot plant definition and planning, (4) transport gasifier feed analysis, (5) coal-biomass mixture feed analysis, and (6) coal-biomass mixture pilot scale tests. Task 1, development and testing of cooled refractory liners, was conducted at CANMET Energy Technology Centre in Ottawa, Canada. The test objectives were to screen high conductivity CMC materials with alternate manufacturing methods and a variety of surface treatments for cooled metal tubes in a slagging gasifier environment. During the CMC testing, it was found that a constantly cooled CMC will survive in good conditions and that high porosity CMC resulted in high material erosion and corrosion. During cooled tube testing, it was found that hard metal spray coat and bare Haynes 188 performed the best. Task 2, feed system development and demonstration, was conducted at at the Energy and Environmental Research Center (EERC) at the University of North Dakota (UND). For tasks 2.1-2.6, the test objective was to demonstrate 400-tons/day coal feed system operation (to 1,000 psia gasifier pressures) in ultra-dense phase flow without plugging and to achieve multi-element injector flow-split non-uniformities below 2 %RSD. Testing was successfully completed with no feed system plugging of the feed system. The majority of the other Task 2 activities were associated with the Dry Solids Pump design (Task 2.8 and 2.11), development (Task 2.10), fabrication (Task 2.12), amd testing (Task 2.13-2.15). A variety of tests were performed that verified the capability of the Dry Solids Pump to consolidate various pulverized feedstocks to a state capable of sealing and sustaining downstream outlet pressures during mechanical operation of the pump as well as during periods when the pump was turned off. However, the final operating goals were not achieved. Task 3, pilot plant definition and planning, was to define requirements for an advanced commercial gasifier with a cooled liner and to establish a preferred commercial gasifier system configuration to serve as the reference point for an advanced gasifier pilot plant concept definition. A pilot plant concept was successfully defined that is scalable and traceable to the commercial gasifier configuration. The schedule and cost for design, installation, and long-duration test operation of a pilot plant were estimated at 33 months and $\$$25.6M. Taks 4, transport gasifier feed analysis, was to determine the effects of larger sized transport gasifier low rank coals within the AR dry solids pump. It was found for the two low-rank +100 mesh size transport gasifier coals that the cohesion of these larger materials was significantly less than the coals ground to minus 200 mesh. Also, the gas permeability of the MSL transport coal was found to be significantly higher than the permeability of the PRB transport coal. Task 5, coal-biomass mixture feed analysis, was to determine the effects of coal biomass blends within the AR ultra-dense phase feed system and dry solids pump, and to determine the cost of electricity increase of an integrated gasification combined cycle (IGCC) operating on coal/biomass blends with the AR dry solids pump and ultra-dense phase feed system. In summary, it was found that 75/25 wt% coal/corn stover blends produce reasonable economic results for IGCC operation with minimal dry solids pump modifications – especially if the coal is a low rank coal and the corn stover biomass is pelletized. The increase in electricity cost was found to be 1.1 cents/kWh. Task 6, coal-biomass mixture pilot scale tests, was to determine which coal/biomass blends could be tested in the current dry solids pump without major modifications. As reported in detail in the reports by Sprouse (2010) and Sprouse and Darby (2013), the coal/biomass blend having the least impact on pump configuration and operation is the 90/10 wt% Illinois #6 to corn stover ratio blend. The AGSD program was initiated on October 1, 2004. The interim final report was submitted on October 21, 2010 and covered Task 1, Task 2.1-2.9, and Task 3, performed during budget period 1. This final report covers Task 2.10-2.16, 4, 5, and 6, performed during budget period 2. The interim final report is attached as part of the appendix to this report.

Darby, Alan K.↗
DOE OSTI2016

Characterization of Black Carbon Mixing State Field Campaign Report

Interpreting the temporal relationship between the scattering and incandescence signals recorded by the Single Particle Soot Photometer (SP2), Sedlacek et al. (2012) reported that 60% of the refractory black carbon containing particles in a plume containing biomass burning tracers exhibited non-core-shell structure. Because the relationship between the rBC (refractory black carbon) incandescence and the scattering signals had not been reported in the peer-reviewed literature, and to further evaluate the initial interpretation by Sedlacek et al., a series of experiments was undertaken to investigate black carbon-containing particles of known morphology using Regal black (RB), a proxy for collapsed soot, as the light-absorbing substance to characterize this signal relationship. Particles were formed by coagulation of RB with either a solid substance (sodium chloride or ammonium sulfate) or a liquid substance (dioctyl sebacate), and by condensation with dioctyl sebacate, the latter experiment forming particles in a core-shell configuration. Each particle type experienced fragmentation (observed as negative lagtimes), and each yielded similar lagtime responses in some instances, confounding attempts to differentiate particle morphology using current SP2 lagtime analysis. SP2 operating conditions, specifically laser power and sample flow rate, which in turn affect the particle heating and dissipation rates, play an important role in the behavior of particles in the SP2, including probability of fragmentation. This behavior also depended on the morphology of the particles and on the thermochemical properties of the non-RB substance. Although these influences cannot currently be unambiguously separated, the SP2 analysis may still provide useful information on particle mixing states and black carbon particle sources. This work was communicated in a 2015 publication (Sedlacek et al. 2015)

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Paired Straight Hearth Furnace - Transformational Ironmaking Process

The U. S. steel industry has reduced its energy intensity per ton of steel shipped by 33% since 1990. However, further significant gains in energy efficiency will require the development of new, transformational iron and steelmaking processes. The Paired Straight Hearth Furnace (PSH) process is an emerging alternative high productivity, direct reduced iron (DRI) technology that may achieve very low fuel rates and has the potential to replace blast furnace ironmaking. The PSH furnace can operate independently or may be coupled with other melting technologies to produce liquid hot metal that is both similar to blast furnace iron and suitable as a feedstock for basic oxygen steelmaking furnaces. The PSH process uses non-metallurgical coal as a reductant to convert iron oxides such as iron ore and steelmaking by-product oxides to DRI pellets. In this process, a multi-layer, nominally 120mm tall bed of composite “green balls” made from oxide, coal and binder is built up and contained within a moving refractory hearth. The pellet bed absorbs radiant heat energy during exposure to the high temperature interior refractory surfaces of the PSH while generating a strongly reducing gas atmosphere in the bed that yields a highly metalized DRI product. The PSH concept has been well tested in static hearth experiments. A moving bed design is being developed. The process developers believe that if successful, the PSH process has the potential to replace blast furnaces and coke ovens at a fraction of the operating and capital cost while using about 30% less energy relative to current blast furnace technology. DRI output could also feed electric arc furnaces (EAFs) by displacing a portion of the scrap charge.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Single-Particle Soot Photometer (SP2) Instrument Handbook

The SP2 is an instrument that measures, in situ, the time-dependent scattering and incandescence signals produced by individual BC-containing particles as they travel through a continuous-wave laser beam. Any particle traversing the laser beam will scatter light, and the BC component of a BC-containing particle will absorb some of the laser energy until its temperature is raised to the point at which it incandesces (hereafter we adopt the standard terminology of the SP2 community and denote any substance determined by the SP2 to be BC as refractory black carbon (rBC)). The amplitude of the rBC incandescence signal is related to the amount of refractory material contained in the illuminated particle. By binning the individual incandescence signals per unit sample volume, the mass concentration [ng/m3] of rBC can be derived. By binning the individual signals by volume equivalent diameter the size distribution (dN/dlogDVED) per unit time can be derived. The rBC mass loading per unit time and the rBC size distribution unit time are the core data products produced by the SP2. Additionally, the scattering channel can be used to provide information on the rBC particle population-based mixing states within ambient aerosols. However, this data product is produced on a requested-basis since additional detailed analysis and QC/QA must be conducted.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

TA [B] Predicting Microstructure-Creep Resistance Correlation in High Temperature Alloys over Multiple Time Scales

DoE-NETL partnered with Purdue University to predict the creep and associated microstructure evolution of tungsten-based refractory alloys. Researchers use grain boundary (GB) diagrams, a new concept, to establish time-dependent creep resistance and associated microstructure evolution of grain boundaries/intergranular films GB/IGF controlled creep as a function of load, environment, and temperature. The goal was to conduct a systematic study that includes the development of a theoretical framework, multiscale modeling, and experimental validation using W-based body-centered-cubic alloys, doped/alloyed with one or two of the following elements: nickel, palladium, cobalt, iron, and copper—typical refractory alloys. Prior work has already established and validated a basic theory for W-based binary and ternary alloys; the study conducted under this project extended this proven work. Based on interface diagrams phase field models were developed to predict long term microstructural evolution. In order to validate the models nanoindentation creep data was used to elucidate the role played by the interface properties in predicting long term creep strength and microstructure evolution.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Slag Management of Carbon Feedstock Used in Gasification FY17 TCF between Eastman Chemical and NETL (Final Report)

NETL, in collaboration with Eastman Chemical Corp (Kingsport, TN), targeted the joint evaluation and refinement of a slag management program developed by NETL (NETL IP, patent applied for) to control gasifier slag properties formed from ash in individual or combinations of different coal-based carbon feedstock materials and specific slag modifiers used in gasification. Slag forms from mineral or organic-metallic impurities in the carbon feedstock that melt at the high temperatures of gasification, coalescing to form a liquid (slag) that must flow from the gasifier. Slag additives, also known as slag modifiers, are often added to the carbon feedstock to modify the ash chemistry and achieve desired slag flow properties at target temperatures used in gasification. If slag does not flow from a gasifier, its buildup within the gasification chamber will cause either gasifier shutdown to physically remove the slag (consuming time and damaging the protective refractory lining), or the gasification temperature must be increased to lower slag viscosity so it can flow from the gasifier, leading to greater refractory wear/corrosion, along with increased fouling and downstream component wear. Because of these issues, gasification is typically targeted at the lowest temperature possible where slag will flow in a controlled manner (a temperature range called T100 for the lowest temperature, with T250 being the highest temperature where the slag has achieved the desired fluidity). That temperature range also needs to yield a desired syngas composition, highlighting the importance of knowing and being able to control carbon feedstock slag viscosity and the temperature of thermal breakdown of the carbon feedstock. Slag viscosity varies with changes in the gasification chamber temperature, oxygen partial pressure, and slag chemistry. The slag model work with Eastman Chemical targeted predicting and controlling molten coal ash slag behavior at specific gasification conditions. The final goal of the refined model was to develop/refine the NETL slag model so a gasifier operator would be able to predict slag behavior prior to purchasing or using a carbon feedstock and control slag properties once a carbon feedstock is being gasified, allowing a gasifier user to determine what mineral additives or blends of different carbon materials would be needed to achieve desired slag properties at targeted gasification conditions. For a given carbon feedstock and desired gasification condition, the actual gasification cost and slag behavior would be able to be predicted using the slag management program in advance of purchasing or using the carbon feedstock – allowing accurate control of slag ash behavior in real time. As part of the TCF project work with Eastman Chemical, the viscosity of several ash compositions of interest to them would be measured and used to populate the slag model, along with a large database of historical slag temperature, chemistry, and viscosity information they possess – information that would in-crease the predictive accuracy of the slag management model with slag ash chemistry of interest to them. As part of the model evaluation and refinement, the predictive model and its database will be installed on computers at Eastman Chemical and used to manage slag properties in a gasifier during real-time operation of their gasifier. In summary, success of the slag management program at Eastman Chemical would support its use by other gasifier operators to manage slag chemistry and properties over other desired gasification temperature ranges, allowing greater process control and efficiency of their carbon feedstock conversion during gasification.

01 COAL, LIGNITE, AND PEAT↗