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At least 1,099 records · Page 61

Volatility characterization of nanoparticles from single and dual-fuel low temperature combustion in compression ignition engines

Our work explores the volatility of particles produced from two diesel low temperature combustion (LTC) modes proposed for high-efficiency compression ignition engines. It also explores mechanisms of particulate formation and growth upon dilution in the near-tailpipe environment. Moreover, the number distribution of exhaust particles from low- and mid-load dual-fuel reactivity controlled compression ignition (RCCI) and single-fuel premixed charge compression ignition (PPCI) modes were experimentally studied over a gradient of dilution temperature. Particle volatility of select particle diameters was investigated using volatility tandem differential mobility analysis (V-TDMA). Evaporation rates for exhaust particles were compared with V-TDMA results for candidate pure n-alkanes to identify species with similar volatility characteristics. The results show that LTC particles are mostly comprised of material with volatility similar to engine oil alkanes. V-TDMA results were used as inputs to an aerosol condensation and evaporation model to support the finding that smaller particles in the distribution are comprised of lower volatility material than large particles under primary dilution conditions. Although the results show that saturation levels are high enough to drive condensation of alkanes onto existing particles under the dilution conditions investigated, they are not high We conclude that observed particles from LTC operation must grow from low concentrations of highly non-volatile compounds present in the exhaust.

33 ADVANCED PROPULSION SYSTEMS↗

Recent experience with multidisciplinary analysis and optimization in advanced aircraft design

The task of modern aircraft design has always been complicated due to the number of intertwined technical factors from the various engineering disciplines. Furthermore, this complexity has been rapidly increasing by the development of such technologies as aeroelasticity tailored materials and structures, active control systems, integrated propulsion/airframe controls, thrust vectoring, and so on. Successful designs that achieve maximum advantage from these new technologies require a thorough understanding of the physical phenomena and the interactions among these phenomena. A study commissioned by the Aeronautical Sciences and Evaluation Board of the National Research Council has gone so far as to identify technology integration as a new discipline from which many future aeronautical advancements will arise. Regardless of whether one considers integration as a new discipline or not, it is clear to all engineers involved in aircraft design and analysis that better methods are required. In the past, designers conducted parametric studies in which a relatively small number of principal characteristics were varied to determine the effect on design requirements which were themselves often diverse and contradictory. Once a design was chosen, it then passed through the various engineers' disciplines whose principal task was to make the chosen design workable. Working in a limited design space, the discipline expert sometimes improved the concept, but more often than not, the result was in the form of a penalty to make the original concept workable. If an insurmountable problem was encountered, the process began over. Most design systems that attempt to account for disciplinary interactions have large empirical elements and reliance on past experience is a poor guide in obtaining maximum utilizations of new technologies. Further compounding the difficulty of design is that as the aeronautical sciences have matured, the discipline specialist's area of research has generally narrowed as more sophisticated methods are developed in the specialist's area of expertise. The results have been a decrease in the awareness of the impact of his decisions on other disciplines. This paper will outline the progress and problems encountered in the analysis, design, optimization sensitivity analysis, mathematical modeling, and configurations control and the means by which they are being solved. The breadth versus depth dilemma in analysis and design and the means for coping with that dilemma will be discussed. Finally, the all-important human aspects and the need for a new 'culture ' for doing business in an integrated, multidisciplinary design environment are discussed.

Dollyhigh, Samuel M.↗

SOCCER: Comet Coma Sample Return Mission

Comets, being considered the most primitive bodies in the solar system, command the highest priority among solar system objects for studying solar nebula evolution and the evolution of life through biogenic elements and compounds. Sample Of Comet Coma Earth Return (SOCCER), a joint effort between NASA and the Institute of Space and Astronautical Science (ISAS) in Japan, has two primary science objectives: (1) the imaging of the comet nucleus and (2) the return to Earth of samples of volatile species and intact dust. This effort makes use of the unique strengths and capabilities of both countries in realizing this important quest for the return of samples from a comet. This paper presents an overview of SOCCER's science payloads, engineering flight system, and its mission operations.

Albee, A. L.↗

Enabling Staged Pressurized Oxy-Combustion: Improving Flexibility and Performance at Reduced Cost

Introduction: The staged pressurized oxy-combustion (SPOC) process, developed by Washington University in St. Louis (WUSTL), is an oxy-combustion carbon capture technology that employs a steam power cycle to generate electricity. As with atmospheric-pressure oxy-combustion processes, carbon dioxide (CO 2 ) capture rates of 90% or higher can be achieved. The staged-combustion approach of the SPOC process, when operated at elevated gas pressure, allows for near elimination of flue gas recycle (FGR) and leads to significant improvements in efficiency and reduced costs. The primary goal of this project was to investigate the potential for SPOC for flexible operation beyond the capabilities of conventional coal-fired power plants, particularly those employing carbon capture and storage (CCS). Oxy-combustion differs from conventional coal combustion in that the combustion of coal is carried out using oxygen as opposed to air. The resultant flue gas is a mixture of primarily CO 2 and water, greatly simplifying CO 2 capture. As SPOC does the oxy-combustion process under pressure, it is higher efficiency and lower cost than atmospheric oxy-combustion. The project was led by the Electric Power Research Institute, Inc., with the assistance of WUSTL, Doosan Babcock (DBL – boiler plant original equipment manufacturer), and Air Liquide (AL – air separation experts). The specific objectives of the project were to: (1) Evaluate the SPOC concept and develop a risk-based approach to the heating surface layout ensuring that performance (gas and steam side), manufacturing, transportation, and plant erection considerations were fully accounted for in the system design. (2) Improve the technology to ensure its performance and cost potential are substantially better than today’s baseline pulverized coal power plant with post-combustion capture (PCC) or atmospheric oxy-combustion, and show progress toward performance commensurate with projected commercial operation, including 90% or more CO 2 capture. (3) Address critical technology gaps and improving overall system performance for the technology. (4) Perform combustion tests at scale under commensurate pressure to the commercial operating system validate combustor and advance the SPOC combustion modeling tools that will facilitate full-scale design. Combustion Testing: Testing was initially carried out at atmospheric pressure with methane to ensure that all systems were correctly operating. Following this, the testing then proceeded to moderate pressure operation at 4 bara, where different stoichiometric conditions were used across an extended heat input range, showing that a stable flame could be maintained. Testing then proceeded at 10 and 15 bara where it was shown that the ignition system needed to be replaced at these operating conditions. When testing recommenced, a similar stable flame shape was achieved, without any methane support, and the full 100 kWth coal oxy-combustion was demonstrated. Heat flux measurements showed 400 kW/m 2 (0.126 MMBtu/hr-ft 2 ) from the flame, within the 450 kW/m 2 (0.142 MMBtu/hr-ft 2 ) preferred limit defined by DBL for the full-scale design case. Carbon monoxide and carbon-in-ash measurements showed that complete combustion was possible with ultra-low excess oxygen at 1 vol % in the product flue gas. This allowed the full-scale models to be calculated based on this level of excess oxygen, improving the performance of the system as lower feed oxygen is produced in the air separation unit (ASU), saving auxiliary power. Full-Scale Design: The full-scale design is sized to deliver 550 MWe net electrical power output to allow direct comparison with the National Energy Technology Laboratory (NETL) baseline cases using the same Montana Powder River Basin (PRB) fuel. The cases used for direct comparison are: Case S12A (supercritical [SC] coal without CO 2 capture), Case S12B (SC coal with PCC at 90% CO 2 capture, and Case S12F (atmospheric oxy-combustion SC coal with 90% CO 2 capture). The SPOC stages were configured to be identical arrangements, allowing for a more straightforward design, construction, and control strategy. Each stage consists of two PVs, the first being the combustor PV module and the second being the convective PV module. The combustor module is the tallest vessel, with local coal feeding equipment and the burner FGR and oxygen plenums at the top and ash management at the bottom. The combustor module is effectively an open cross section with membrane tubes around the circumference – this unobstructed slender profile ensures that the relatively slower burnout mechanism needed for the low-speed turbulent mixing burner can proceed unimpeded and that molten ash will not attach to any surfaces at an angle to the predominant flue gas flow. The steam turbine used in the SPOC design is essentially the same unit utilized in the atmospheric oxy-combustion case except the degree of heat recovery possible allows the low-pressure (LP) feedwater heater train to be eliminated. This is a result of being able to capture the latent heat of evaporation of the moisture produced in the combustion (normally lost to the stack). The SPOC system outperforms the NETL atmospheric oxy-combustion baseline case by 3.3% points and the PCC case by 7.5% points. This performance increase is mainly a result of the improved heat recovery possible from the product flue gas and from the reduced auxiliary power consumption from the ASU and the CO 2 compression and purification unit over the atmospheric equivalent. The combined improvement in boiler efficiency and reduction in the steam turbine heat rate resulted in a net improvement in the overall plant efficiency by 0.61%, to 35.6% on a HHV basis. This relatively small improvement in plant efficiency between sub-bituminous and bituminous coals shows the value of useful moisture latent heat recovery offered by the SPOC system when using low rank fuels. Flexibility and Turndown: The SPOC system has inherent high turndown capabilities because of a demonstrated high range of combustion stability and the ability to bypass stages, thereby reducing steam generation rates proportionally without altering firing rates in operating stages. ASU units do not generally offer significant turndown opportunities as they are limited by the performance of the compression plant. The baseline SPOC design has a 2-train ASU configuration, needed to be able to meet the 10,500 tonnes per day duty, that can deliver efficient turndown points between 85–100% load with both trains operating, and at 45–50% load with a single train operating. Outside these operating points, the flexibility and efficiency are limited and may be uncompetitive at loads below 45% as the ASU systems are unable to turndown beyond 85% for the base case and 70% for the flexible case. The ASU cold box for the flexible case was designed to operate at loads between 40-100%, below this operating range the purity of the produced oxygen cannot be guaranteed, resulting in additional load for the CPU equipment. The additional power consumption of these cases yields an uneconomic operating condition with poor efficiency when operating at low loads such as 25% and 12%. To address this flexibility constraint, AL evaluated how the ASU configuration could be altered to deliver efficient oxygen supply over the load range. This involved integrating the compressor duties across both ASU trains into a shared duty arrangement with multiple compressors, strategically sized to deliver the duty required across all load ranges between 40–100% by enabling different combinations of the main air compressors and the booster air compressors. The oxygen purity cannot be guaranteed below 40% load for each train – the power consumption at 25% and 12% loads were estimated based on the multi-compressor configuration at maximum turndown as these load cases were not considered in the flexible ASU design. With a different cold box configuration, i.e. number of trains, the entire load range could be delivered within oxygen purity specifications. Although there is a small efficiency reduction at full load, there are significant improvements in overall plant performance during low-load operation. The exact ASU configuration needed will therefore be dependent on the expected operating profile of the unit. Economic Analysis: Cost estimates for the baseline and the flexible cases were developed using NETL baseline case data for common BOP items and an Association for the Advancement of Cost Engineering International Class 5 (conceptual/screening study) assessment of key components unique to the SPOC system. The capital, operating, and maintenance costs were assessed along with the first-year power cost, levelized cost of electricity, and CO 2 captured and avoided cost for the SPOC cases were compared against the relevant NETL baseline cases in January 2019 dollars. Both SPOC cases achieve a lower cost that the alternative NETL baseline cases (with the flexible SPOC case being slightly higher than the baseline SPOC case due to the compounded impact of higher capital costs and lower efficiency at full load). The SPOC cases deliver a lower cost of CO 2 avoided than the NETL baseline cases due to greater efficiency in generating low-carbon power. However, the cost of CO 2 captured is higher because the higher efficiency of the SPOC process generates less CO 2 , hence less needs to be captured, resulting in a high capital cost being shared over a reduced CO 2 quantity. The flexible ASU adds 1.6% overall to the plant cost in comparison to the baseline case, but the efficiency improvements at loads below 50% are significant. Subsequently, depending on the plant load-profile expectation, the flexible ASU would be beneficial if the plant spends a significant portion of its operating life below 50% load. This kind of operating profile is likely to be required for all fossil plants when more renewable electricity generators are installed on the local grid, particularly solar power that can be predicted ahead of time, allowing for appropriate pricing signals to be incorporated into the diurnal cycle. R&D Recommendations: SPOC, while a promising technology, is a relatively recent concept and, as such, operability issues of combustor design and steam-side integration for such systems at a scale relevant to commercial deployment have not been evaluated. WUSTL has conducted extensive small pilot-scale (100 kWth) research to understand and advance pressurized oxy-combustion processes, including investigation of combustion and flame characteristics, radiative heat flux, burner operability, turn down, char burnout, ash characteristics, water-wash column operation, etc. for pressurized oxy-combustion systems. Nonetheless, at this stage in the development of the SPOC process, what is needed is a large-scale pilot plant that can serve to study pressurized oxy-combustion systems and components at a scale commensurate with the maturity of the technology. A scale of 10 MWth, which includes steam-side integration and two stages would yield essential information with respect to heat transfer characteristics both in the radiative and convective sections of the pressure vessels, and the ability to operate the fuel staging process. In addition, while modeling results indicate that combustion and flame characteristics improve with scale, direct studies of the combustor at this scale will ensure that the models can be relied upon for scale up to commercial scale. Furthermore, a detailed analysis must be performed to understand the scaling aspects of key components and systems.

20 FOSSIL-FUELED POWER PLANTS↗

Composition-Dependent Functionality of Copper Vanadate Photoanodes

To understand functional roles of constituent elements in ternary metal oxide photoanodes, essential photoelectrochemical (PEC) properties are systematically analyzed on a series of copper vanadate compounds with different Cu:V elemental ratios. Here, homogeneous and highly continuous thin films of β-Cu 2 V 2 O 7 , γ-Cu 3 V 2 O 8 , Cu 11 V 6 O 26 , and Cu 5 V 2 O 10 are grown via reactive co-sputtering and their performance characteristics for the light-driven oxygen evolution reaction are evaluated. All four compounds have similar bandgaps in the range of 1.83-2.03 eV, though Cu-rich phases exhibit stronger optical absorption and higher charge separation efficiencies. Transient photocurrent analysis reveals a reduction of surface catalytic activity with increasing Cu:V elemental ratio due to competitive charge recombination at Cu-related surface states. This comprehensive analysis of PEC functionalities - including photon absorption, carrier separation, and heterogeneous charge transfer - informs strategies for improving PEC activity in the copper vanadate materials system and reveals insights that may aid discovery, design, and engineering of new photoelectrode materials.

36 MATERIALS SCIENCE↗

Quantum Dots on Silicon-on-Insulator (QD/SOI): Nanoscale Strain and Band Structure Engineering (Final Report)

As the project titles indicate, the work focused on Group IV nanomembranes (NMs), thin functional layers, and interfaces, all with one or more dimensions at the nanoscale. The primary focus was discovery driven fundamental science. This approach led to surprising new, unexpected results that ended up being patentable and creating commercial value, but that were also high-impact science. Our effort divided into several overlapping thrusts: 1) strain engineering of NMs, via both lattice strain and externally applied strain, 2) interfaces between crystalline semiconductor NMs and other 2D sheets that are stacked or grown on each other, and 3) charge transport (electronics and optoelectronics) in thin layers, sheets, and surfaces. We accomplish these goals via 1) fabrication of new or higher-quality materials using NM approaches, 2) growth of new combinations, or 3) transfer and stacking to create new composites. The range of materials included combinations of Si, Ge, graphene, and several III-V compounds. The work has foundations in both nano- and mesoscale science.

36 MATERIALS SCIENCE↗

Symposium /International/ on Combustion, 18th, University of Waterloo, Waterloo, Ontario, Canada, August 17-22, 1980, Proceedings

Problems related to combustion generated pollution are explored, taking into account the mechanism of NO formation from nitrogen compounds in hydrogen flames studied by laser fluorescence, the structure and similarity of nitric oxide production in turbulent diffusion flames, the effect of steam addition on NO formation, and the formation of NO2 by laminar flames. Other topics considered are concerned with propellant combustion, fluidized bed combustion, the combustion of droplets and sprays, premixed flame studies, fire studies, and flame stabilization. Attention is also given to coal flammability, chemical kinetics, turbulent combustion, soot, coal combustion, the modeling of combustion processes, combustion diagnostics, detonations and explosions, ignition, internal combustion engines, combustion studies, and furnaces.

Source record↗

Measured and Predicted Vapor Liquid Equilibrium of Ethanol-Gasoline Fuels with Insight on the Influence of Azeotrope Interactions on Aromatic Species Enrichment and Particulate Matter Formation in Spark Ignition Engines

A relationship has been observed between increasing ethanol content in gasoline and increased particulate matter (PM) emissions from direct injection spark ignition (DISI) vehicles. The fundamental cause of this observation is not well understood. One potential explanation is that increased evaporative cooling as a result of ethanol's high HOV may slow evaporation and prevent sufficient reactant mixing resulting in the combustion of localized fuel rich regions within the cylinder. In addition, it is well known that ethanol when blended in gasoline forms positive azeotropes which can alter the liquid/vapor composition during the vaporization process. In fact, it was shown recently through a numerical study that these interactions can retain the aromatic species within the liquid phase impeding the in-cylinder mixing of these compounds, which would accentuate PM formation upon combustion. To better understand the role of the azeotrope interactions on the vapor/liquid composition evolution of the fuel, distillations were performed using the Advanced Distillation Curve apparatus on carefully selected samples consisting of gasoline blended with ethanol and heavy aromatic and oxygenated compounds with varying vapor pressures, including cumene, p-cymene, 4-tertbutyl toluene, anisole, and 4-methyl anisole. Samples collected during the distillation indicate an enrichment of the heavy aromatic or oxygenated additive with an increase in initial ethanol concentration from E0 to E30. A recently developed distillation and droplet evaporation model is used to explore the influence of dilution effects versus azeotrope interactions on the aromatic species enrichment. The results suggest that HOV-cooling effects as well as aromatic species enrichment behaviors should be considered in future development of predictive indices to forecast the PM potential of fuels containing oxygenated compounds with comparatively high HOV.

33 ADVANCED PROPULSION SYSTEMS↗

High energy density redox flow device

Redox flow devices are described including a positive electrode current collector, a negative electrode current collector, and an ion-permeable membrane separating said positive and negative current collectors, positioned and arranged to define a positive electroactive zone and a negative electroactive zone; wherein at least one of said positive and negative electroactive zone comprises a flowable semi-solid composition comprising ion storage compound particles capable of taking up or releasing said ions during operation of the cell, and wherein the ion storage compound particles have a polydisperse size distribution in which the finest particles present in at least 5 vol % of the total volume, is at least a factor of 5 smaller than the largest particles present in at least 5 vol % of the total volume.

25 ENERGY STORAGE↗

High energy density redox flow device

Redox flow devices are described including a positive electrode current collector, a negative electrode current collector, and an ion-permeable membrane separating said positive and negative current collectors, positioned and arranged to define a positive electroactive zone and a negative electroactive zone; wherein at least one of said positive and negative electroactive zone comprises a flowable semi-solid composition comprising ion storage compound particles capable of taking up or releasing said ions during operation of the cell, and wherein the ion storage compound particles have a polydisperse size distribution in which the finest particles present in at least 5 vol % of the total volume, is at least a factor of 5 smaller than the largest particles present in at least 5 vol % of the total volume.

25 ENERGY STORAGE↗

High reactivity of deep biota under anthropogenic CO 2 injection into basalt

Basalts are recognized as one of the major habitats on Earth, harboring diverse and active microbial populations. Inconsistently, this living component is rarely considered in engineering operations carried out in these environments. This includes carbon capture and storage (CCS) technologies that seek to offset anthropogenic CO 2 emissions into the atmosphere by burying this greenhouse gas in the subsurface. Here, we show that deep ecosystems respond quickly to field operations associated with CO 2 injections based on a microbiological survey of a basaltic CCS site. Acidic CO 2 -charged groundwater results in a marked decrease (by ~ 2.5–4) in microbial richness despite observable blooms of lithoautotrophic iron-oxidizing Betaproteobacteria and degraders of aromatic compounds, which hence impact the aquifer redox state and the carbon fate. Host-basalt dissolution releases nutrients and energy sources, which sustain the growth of autotrophic and heterotrophic species whose activities may have consequences on mineral storage.

58 GEOSCIENCES↗

Accelerating pathway evolution by increasing the gene dosage of chromosomal segments

Experimental evolution is a critical tool in many disciplines, including metabolic engineering and synthetic biology. However, current methods rely on the chance occurrence of a key step that can dramatically accelerate evolution in natural systems, namely increased gene dosage. Our studies sought to induce the targeted amplification of chromosomal segments to facilitate rapid evolution. Since increased gene dosage confers novel phenotypes and genetic redundancy, we developed a method, Evolution by Amplification and Synthetic Biology (EASy), to create tandem arrays of chromosomal regions. In Acinetobacter baylyi , EASy was demonstrated on an important bioenergy problem, the catabolism of lignin-derived aromatic compounds. The initial focus on guaiacol (2-methoxyphenol), a common lignin degradation product, led to the discovery of Amycolatopsis genes ( gcoAB ) encoding a cytochrome P450 enzyme that converts guaiacol to catechol. However, chromosomal integration of gcoAB in Pseudomonas putida or A. baylyi did not enable guaiacol to be used as the sole carbon source despite catechol being a growth substrate. We report in ~1,000 generations, EASy yielded alleles that in single chromosomal copy confer growth on guaiacol. Different variants emerged, including fusions between GcoA and CatA (catechol 1,2-dioxygenase). This study illustrates the power of harnessing chromosomal gene amplification to accelerate the evolution of desirable traits.

09 BIOMASS FUELS↗

Heterostructure engineering for wurtzite LaN

Wurtzite LaN (wz-LaN) is a semiconducting nitride with favorable piezoelectric and ferroelectric properties, making it promising for applications in electronics. Here, we use first-principles density functional theory with a hybrid functional to investigate several features that are key for its use in heterostructures. First, for the purposes of growing wz-LaN on a substrate or designing a heterostructure, we show that it can be lattice-matched with a number of cubic materials along their [111] axes. We also evaluate the bound charge at such interfaces, taking into account both the polarization discontinuity and the piezoelectric polarization due to pseudomorphic strain. Second, we investigate band alignments and assess the results for interfaces with zincblende-, rocksalt-, and perovskite-structure compounds, along with chemically similar wurtzite and rocksalt nitrides. Our results provide guidance for the development of electronic devices based on wz-LaN.

36 MATERIALS SCIENCE↗

Altermagnetism, kagome flat band, and Weyl fermion states in magnetically intercalated transition metal dichalcogenides

Altermagnetic (AM) compounds have recently emerged as a promising platform for realizing unconventional quantum phases, enabled by their unique spin-split band structure at zero net magnetization. Here, we present a first-principles investigation of magnetically intercalated transition metal dichalcogenides (TMDs) of the form XY 4 Z 8 (X = Mn, Fe, Co, Ni, Cr, or V; Y = Nb or Ta; and Z = Se or S), identifying a subset of new versatile AM candidates. Our results establish a systematic correlation between interatomic geometry, quantified by the ratio of interlayer to intralayer spacing, and the magnetic ground states. Systems with A-type antiferromagnetic order exhibit momentum-dependent spin splitting consistent with AM behavior. The combination of the AM spin-splitting and the spin-orbit coupling leads to the emergence of Weyl nodes together with the corresponding topological Fermi arc surface states. Moreover, we identify flat bands near the Fermi level that originate from the intercalant-induced formation of an effective kagome-like sublattice in the TMD layer. These results collectively establish magnetically intercalated TMDs as a promising platform for engineering altermagnetism, flat bands, and Weyl fermions within a single material family, facilitating the development of topological and spintronic applications.

36 MATERIALS SCIENCE↗

Mechanically interlocked pyrene-based photocatalysts

Triplet excited-state organic chromophores present countless opportunities for applications in photocatalysis. Here we describe an approach to the engineering of the triplet excited states of aromatic chromophores, which involves incorporating pyrene into pyridinium-containing mechanically interlocked molecules (MIMs). The π-extended nature of the pyrenes enforces [π···π] stacking, affording an efficient synthesis of tetrachromophoric octacationic homo[2]catenanes. These MIMs generate triplet populations and efficient intersystem crossing on account of the formation of a mixed charge-transfer/exciplex electronic state and a nanoconfinement effect, which leads to a high level of protection of the triplet state and extends the triplet lifetimes and yields. These compounds display excellent catalytic activity in photo-oxidation, as demonstrated by the aerobic oxidation of a sulfur-mustard simulant. Furthermore this research highlights the benefits of using the mechanical bond to fine-tune the triplet photophysics of existing aromatic chromophores, providing an avenue for the development of unexplored MIM-based photosensitizers and photocatalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Uniaxial strain-induced magnetic order transition from E-type to A-type in orthorhombic YMnO{sub 3} from first-principles

The spin ordering magnetic structures of orthorhombic YMnO{sub 3} subjected to uniaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive uniaxial strain of −0.8% along the b orientation, the spin ordering magnetic structure is predicted to change from E-type to A-type antiferromagnetic orderings. The structure analysis also reveals that the uniaxial strain has a dramatic influence on the Mn-O bond lengths and Mn-O-Mn bond angles, allowing the gradual suppression of the alternation of the long and short Mn-O-Mn bonds in the ab plane. These changes present very interesting possibilities for engineering the spin ordering along with ferroelectric property in orthorhombic YMnO{sub 3}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Epitaxial growth of (1 1 1)-oriented spinel CoCr 2 O 4 /Al 2 O 3 heterostructures

High quality (1 1 1)-oriented CoCr 2 O 4 /Al 2 O 3 heterostructures were synthesized on the sapphire (0 0 0 1) single crystal substrates by pulsed laser deposition. The structural properties are demonstrated by in-situ reflection high energy electron diffraction, atomic force microscopy, X-ray reflectivity, and X-ray diffraction. X-ray photoemission spectroscopy confirms that the films possess the proper chemical stoichiometry. In conclusion, this work offers a pathway to fabricating spinel type artificial quasi-two-dimensional frustrated lattices by means of geometrical engineering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

RGA Analysis of Plasma Cleaned Vacuum Systems [Slides]

The goal of this project was to qualitatively evaluate the efficacy of using plasma cleaning to remove PDMS from vacuum systems. Silicon containing compounds are notorious for interfering with vacuum system techniques such as x-ray photoelectron spectroscopy (XPS), Auger Electron Spectroscopy (AES) and Secondary lon Mass Spectrometry (SIMS). Finding a way to remotely and rapidly remove contaminants from a system saves time and money for analysts using vacuum analytical techniques.

42 ENGINEERING↗