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DOE OSTI2014

Diffractive intermediate layer enables broadband light trapping for high efficiency ultrathin c-Si tandem cells

Light management through the intermediate reflector in the tandem cell configuration is of great practical importance for achieving high stable efficiency and also low cost production. So far, however, the intermediate reflectors employed currently are mainly focused on the light absorption enhancement of the top cell. Here, we present a diffractive intermediate layer that allows for light trapping over a broadband wavelength for the ultrathin c-Si tandem solar cell. Compared with the standard intermediate reflector, this nanoscale architectural intermediate layer results in a 35% and 21% remarkable enhancement of the light absorption in the top (400–800 nm) and bottom (800–1100 nm) cells simultaneously, and ultrathin c-Si tandem cells with impressive conversion efficiency of 13.3% are made on the glass substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Retention of intermediate polarization states in ferroelectric materials enabling memories for multi-bit data storage

A homogeneous ferroelectric single crystal exhibits only two remanent polarization states that are stable over time, whereas intermediate, or unsaturated, polarization states are thermodynamically instable. Commonly used ferroelectric materials however, are inhomogeneous polycrystalline thin films or ceramics. To investigate the stability of intermediate polarization states, formed upon incomplete, or partial, switching, we have systematically studied their retention in capacitors comprising two classic ferroelectric materials, viz. random copolymer of vinylidene fluoride with trifluoroethylene, P(VDF-TrFE), and Pb(Zr,Ti)O{sub 3}. Each experiment started from a discharged and electrically depolarized ferroelectric capacitor. Voltage pulses were applied to set the given polarization states. The retention was measured as a function of time at various temperatures. The intermediate polarization states are stable over time, up to the Curie temperature. We argue that the remarkable stability originates from the coexistence of effectively independent domains, with different values of polarization and coercive field. A domain growth model is derived quantitatively describing deterministic switching between the intermediate polarization states. We show that by using well-defined voltage pulses, the polarization can be set to any arbitrary value, allowing arithmetic programming. The feasibility of arithmetic programming along with the inherent stability of intermediate polarization states makes ferroelectric materials ideal candidates for multibit data storage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate

Time-resolved crystallography is a powerful technique to elucidate molecular mechanisms at both spatial (angstroms) and temporal (picoseconds to seconds) resolutions. We recently discovered an unusually slow reaction at room temperature that occurs on the order of days: the in crystalline reverse oxidative decay of the chemically labile (6S)-5,6,7,8-tetrahydrofolate in complex with its producing enzyme Escherichia coli dihydrofolate reductase. Here, we report the critical analysis of a representative dataset at an intermediate reaction time point. A quinonoid-like intermediate state lying between tetrahydrofolate and dihydrofolate features a near coplanar geometry of the bicyclic pterin moiety, and a tetrahedral sp 3 C6 geometry is proposed based on the apparent mFo-DFc omit electron densities of the ligand. The presence of this intermediate is strongly supported by Bayesian difference refinement. Isomorphous Fo-Fo difference map and multi-state refinement analyses suggest the presence of end-state ligand populations as well, although the putative intermediate state is likely the most populated. A similar quinonoid intermediate previously proposed to transiently exist during the oxidation of tetrahydrofolate was confirmed by polarography and UV-vis spectroscopy to be relatively stable in the oxidation of its close analog tetrahydropterin. We postulate that the constraints on the ligand imposed by the interactions with the protein environment might be the origin of the slow reaction observed by time-resolved crystallography.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Carrier dynamics of intermediate sub-bandgap transitions in ZnTeO

The incorporation of electronic states in the bandgap, with high radiative efficiency, provides a means for optical up/down conversion and for tuning the carrier lifetime of a material. Such intermediate states in highly mismatched alloys have recently received much attention due to their potential for an efficient solar energy conversion. Understanding the carrier dynamics and pathways for the charge transfer of sub-bandgap transitions is critical for understanding energy conversion processes. In this work, time-resolved photoluminescence of ZnTeO is reported, revealing electron relaxation from the conduction band to the intermediate band and the carrier transfer between intermediate states and the conduction band utilizing two time-delayed optical excitations. Furthermore, this work demonstrates the utility of time-resolved techniques for characterizing energy conversion mechanisms in intermediate band materials, and the ability to use intermediate states to intentionally alter carrier lifetimes in materials for applications such as ultrafast scintillation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

Beyond y and μ: the shape of the CMB spectral distortions in the intermediate epoch, 1.5 × 10{sup 4}∼<z∼<2 × 10{sup 5}

We calculate numerical solutions and analytic approximations for the intermediate-type spectral distortions. Detection of a μ-type distortion (saturated comptonization) in the CMB will constrain the time of energy injection to be at a redshift 2 × 10{sup 6}∼>z∼>2 × 10{sup 5}, while a detection of a y-type distortion (minimal comptonization) will mean that there was heating of CMB at redshift z∼<1.5 × 10{sup 4}. We point out that the partially comptonized spectral distortions, generated in the redshift range 1.5 × 10{sup 4}∼<z∼<2 × 10{sup 5}, are much richer in information than the pure y and μ-type distortions. The spectrum created during this period is intermediate between y and μ-type distortions and depends sensitively on the redshift of energy injection. These intermediate-type distortions cannot be mimicked by a mixture of y and μ-type distortions at all frequencies and vice versa. The measurement of these intermediate-type CMB spectral distortions has the possibility to constrain precisely not only the amount of energy release in the early Universe but also the mechanism, for example, particle annihilation and Silk damping can be distinguished from particle decay. The intermediate-type distortion templates and software code using these templates to calculate the CMB spectral distortions for user-defined energy injection rate is made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Intermediate accelerated solutions as generic late-time attractors in a modified Jordan-Brans-Dicke theory

In this paper we investigate the evolution of a Jordan-Brans-Dicke scalar field, Φ, with a power-law potential in the presence of a second scalar field, φ, with an exponential potential, in both the Jordan and the Einstein frames. We present the relation of our model with the induced gravity model with power-law potential and the integrability of this kind of models is discussed when the quintessence field φ is massless, and has a small velocity. The fact that for some fine-tuned values of the parameters we may get some integrable cosmological models, makes our choice of potentials very interesting. We prove that in Jordan-Brans-Dicke theory, the de Sitter solution is not a natural attractor. Instead, we show that the attractor in the Jordan frame corresponds to an ''intermediate accelerated'' solution of the form a(t) ≅ e{sup α{sub 1} t{sup p{sup {sub 1}}}}, as t → ∞ where α{sub 1} > 0 and 0 < p{sub 1} < 1, for a wide range of parameters. Furthermore, when we work in the Einstein frame we get that the attractor is also an ''intermediate accelerated'' solution of the form a(t) ≅ e{sup α{sub 2} tp{sub 2}} as t → ∞ where α{sub 2} > 0 and 0<p{sub 2}<1, for the same conditions on the parameter space as in the Jordan frame. In the special case of a quadratic potential in the Jordan frame, or for a constant potential in the Einstein's frame, the above intermediate solutions are of saddle type. These results were proved using the center manifold theorem, which is not based on linear approximation. Finally, we present a specific elaboration of our extension of the induced gravity model in the Jordan frame, which corresponds to a particular choice of a linear potential of Φ. The dynamical system is then reduced to a two dimensional one, and the late-time attractor is linked with the exact solution found for the induced gravity model. In this example the ''intermediate accelerated'' solution does not exist, and the attractor solution has an asymptotic de Sitter-like evolution law for the scale factor. Apart from some fine-tuned examples such as the linear, and quadratic potential U(Φ) in the Jordan frame, it is true that ''intermediate accelerated'' solutions are generic late-time attractors in a modified Jordan-Brans-Dicke theory.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

SU-C-304-06: Determination of Intermediate Correction Factors for Three Dosimeters in Small Composite Photon Fields Used in Robotic Radiosurgery

Purpose: To calculate using Monte-Carlo the intermediate and total correction factors (CFs) for two microchambers and a plastic scintillator for composite fields delivered by the CyberKnife system. Methods: A linac model was created in BEAMnrc by matching percentage depth dose (PDD) curves and output factors (OFs) measured using an A16 microchamber with Monte Carlo calculations performed in egs-chamber to explicitly model detector response. Intermediate CFs were determined for the A16 and A26 microchambers and the W1 plastic scintillator in fourteen different composite fields inside a solid water phantom. Seven of these fields used a 5 mm diameter collimator; the remaining fields employed a 7.5 mm collimator but were otherwise identical to the first seven. Intermediate CFs are reported relative to the respective CF for a 60 mm collimator (800 mm source to detector distance and 100 mm depth in water). Results: For microchambers in composite fields, the intermediate CFs that account for detector density and volume were the largest contributors to total CFs. The total CFs for the A26 were larger than those for the A16, especially for the 5 mm cone (1.227±0.003 to 1.144±0.004 versus 1.142±0.003 to 1.099±0.004), due to the A26’s larger active volume (0.015 cc) relative to the A16 (0.007 cc), despite the A26 using similar wall and electrode material. The W1 total and intermediate CFs are closer to unity, due to its smaller active volume and near water-equivalent composition, however, 3–4% detector volume corrections are required for 5 mm collimator fields. In fields using the 7.5 mm collimator, the correction is nearly eliminated for the W1 except for a non-isocentric field. Conclusion: Large and variable CFs are required for microchambers in small composite fields primarily due to density and volume effects. Corrections are reduced but not eliminated for a plastic scintillator in the same fields.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Subsequent R + O 2 Chemistry of Intermediates Formed in Low-Temperature R + O 2 Reactions: Potential Importance in Modeling Autoignition Behavior

Comprehensive chemical kinetics models used in the simulation of hydrocarbon and biofuel oxidation rely on accurate prescription of the underlying reaction mechanisms and rate parameters of associated elementary reactions. For practical transportation fuels, such models contain thousands of elementary reactions, which collectively define chain-initiation, -propagation, -branching, and -inhibition pathways. In the low-temperature regime, below approximately 1000 K where R + O 2 reactions dominate, primary oxidation intermediates including cyclic ethers, carbonyls, and conjugate alkenes are formed in abundance via unimolecular decomposition of either chemically activated or thermalized radicals, specifically organic peroxy (ROO) or hydroperoxyalkyl species (QOOH). Experimental results from multiplexed photoionization mass spectrometry (MPIMS) experiments are detailed herein for several intermediates, derived initially from R + O 2 reactions of hydrocarbons and biofuels, and show that intermediate species formed in the initial steps of oxidation undergo similar reactions to those of the parent molecule, including through QOOH-mediated pathways. Products from QOOH decomposition via chain-inhibition and chain-propagation pathways, namely conjugate alkenes, carbonyls, and cyclic ethers, are detected directly. Despite such rich chemistry involving QOOH radicals, most comprehensive chemical kinetics models neglect the complete description of primary oxidation intermediates, and rather consider a restricted number of reaction pathways. It is suggested that exclusion of the details of the oxidation of these intermediate products may affect the interpretation of combustion simulations using such models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Mechanistic insights to drive catalytic hydrogenation of formamide intermediates to methanol via deaminative hydrogenation

Amine-promoted hydrogenation of CO 2 to methanol typically proceeds via a formamide intermediate when amines are used as additives or if the hydrogenation is performed in carbon capture solvents. The catalysts used for the hydrogenation of the formamide intermediate dictate the selectivity of the products formed: 1) Deoxygenative hydrogenation (C–O bond cleavage) resulting in N-methylation of amine and deactivation of the solvent, 2) Deaminative hydrogenation (C–N bond cleavage) resulting in formation of methanol and regeneration of the solvent. To date, catalytic reductions of CO 2 with amine promoters suffer from poor selectively for methanol which we attribute to the limiting formamide intermediate, though to date, the conditions that favor C–N cleavage have yet to be fully understood. To better understand the reactivity of the formamide intermediates, a range of heterogenous catalysts were used to study the hydrogenation of formamide. Well-known gas phase CO 2 hydrogenation catalysts catalyze the hydrogenation of formamide to N-methyl product via C–O bond cleavage. However, the selectivity can be readily shifted to selective C–N bond cleavage by addition of an additive with sufficient basicity for both homogenous and heterogeneous catalytic systems. The base additive shifts the selectivity by deprotonating a hemiaminal intermediate formed in situ during the formamide hydrogenation. This prevents dehydration process leading to N-methylated product, which is a key capture solvent deactivation pathway that hinders amine use in carbon capture, utilization, and storage (CCUS). The findings from this study provide a roadmap on how to improve the selectivity of known heterogenous catalysts, enabling catalytic reduction of captured CO 2 to methanol.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

REVERBERATION MAPPING WITH INTERMEDIATE-BAND PHOTOMETRY: DETECTION OF BROAD-LINE Hα TIME LAGS FOR QUASARS AT 0.2 < z < 0.4

We present a reverberation mapping (RM) experiment that combines broad- and intermediate-band photometry; it is the first such attempt targeting 13 quasars at 0.2 < z < 0.9. The quasars were selected to have strong Hα or Hβ emission lines that are located in one of three intermediate bands (with FWHM around 200 Å) centered at 8045, 8505, and 9171 Å. The imaging observations were carried out in the intermediate bands and the broad i and z bands using the prime-focus imager 90Prime on the 2.3 m Bok telescope. Because of the large (∼1 deg{sup 2}) field of view (FOV) of 90Prime, we included the 13 quasars within only five telescope pointings or fields. The five fields were repeatedly observed over 20–30 epochs that were unevenly distributed over a duration of 5–6 months. The combination of the broad- and intermediate-band photometry allows us to derive accurate light curves for both optical continuum emission (from the accretion disk) and line emission (from the broad-line region, or BLR). We detect Hα time lags between the continuum and line emission in six quasars. These quasars are at relatively low redshifts 0.2 < z < 0.4. The measured lags are consistent with the current BLR size–luminosity relation for Hβ at z < 0.3. While this experiment appears successful in detecting lags of the bright Hα line, further investigation is required to see if it can also be applied to the fainter Hβ line for quasars at higher redshifts. Finally we demonstrate that, by using a small telescope with a large FOV, intermediate-band photometric RM can be efficiently executed for a large sample of quasars at z > 0.2.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1972

Mechanisms of deterioration of intermediate moisture food systems

A study of shelf stability in intermediate moisture foods was made. Major efforts were made to control lipid oxidation and nonenzymatic browning. In order to determine means of preventing these reactions, model systems were developed having the same water activity content relationship of intermediate moisture foods. Models were based on a cellulose-lipid and protein-lipid system with glycerol added as the humectant. Experiments with both systems indicate that lipid oxidation is promoted significantly in the intermediate moisture range. The effect appeared to be related to increased mobility of either reactants or catalysts, since when the amount of water in the system reached a level where capillary condensation occurred and thus free water was present, the rates of oxidation increased. With added glycerol, which is water soluble and thus increases the amount of mobile phase, the increase in oxidation rate occurs at a lower relative humidity. The rates of oxidation were maximized at 61% RH and decreased again at 75% RH probably due to dilution. No significant non-enzymatic browning occurred in the protein-lipid systems. Prevention of oxidation by the use of metal chelating agents was enhanced in the cellulose system, whereas, with protein present, the lipid soluble chain terminating antioxidants (such as BHA) worked equally as well. Preliminary studies of foods adjusted to the intermediate moisture range bear out the results of oxidation in model systems. It can be concluded that for most fat containing intermediate moisture foods, rancidity will be the reaction most limiting stability.

Labuza, T. P.↗

NASA NTRS1990

Formation, structure, and stability of MHD intermediate shocks

It was recently shown by Wu (1987) that intermediate shocks are admissible and can be formed through nonlinear wave steepening from continuous waves. In this paper, the formation, structure, and stability of intermediate shocks in dissipative MHD are considered in detail. The differences between the conventional theory and the present one are pointed out and clarified. It is shown that all four types of intermediate shocks can be formed from smooth waves. It is also shown that there are free parameters in the structure of the intermediate shocks, and that these parameters are related to the shock stability. In addition, the paper shows that a rotational discontinuity can not exist with finite width, indicates how this is related to the existence of time-dependent intermediate shocks, and shows why the conventional theory is not a good approximation to dissipative MHD solutions whenever there is rotation in magnetic field.

Wu, C. C.↗

NASA NTRS1992

The back photoreaction of the M intermediate in the photocycle of bacteriorhodopsin: mechanism and evidence for two M species

The back photoreaction of the M intermediate in the photocycle of bacteriorhodopsin is investigated both for the native pigment and its D96N mutant. The experimental setup is based on creating the M intermediate by a first pulse, followed by a (blue) laser pulse which drives the back photoreaction of M. Experiments are carried out varying the delay between the two pulses, as well as the temperature over the -25 degrees C-20 degrees C range. It is found that the kinetic patterns of the M back photoreaction change with time after the generation of this intermediate. The data provide independent evidence for the suggestion of a photocycle mechanism based on two distinct M intermediates. They are thus in keeping with the consecutive model of Varo and Lanyi (Biochemistry 30, 5016-5022; 1991), although they cannot exclude other models such as those based on branched or parallel cycles. More generally, we offer a "photochemical" approach to discriminating between intermediate stages in the photocycle which does not depend on spectroscopic and/or kinetic data. While markedly affecting the rate of the M --> N transition in the photocycle, the rate of the thermal step in back photoreaction of M, at both room and low temperatures, is not significantly affected by the D96N mutation. It is proposed that while Asp 96 is the Schiff-base protonating moiety in the M --> N transition, another residue (most probably Asp 85) reprotonates the Schiff base following light absorption by M.

NASA Discipline Exobiology↗

DOE OSTI2023

An S=1 Iron(IV) Intermediate Revealed in a Non-Heme Iron Enzyme-Catalyzed Oxidative C—S Bond Formation

Ergothioneine (ESH) and ovothiol A (OSHA) are two natural thiol-histidine derivatives. ESH has been implicated as a longevity vitamin and OSHA inhibits the proliferation of hepatocarcinoma. The key biosynthetic step of ESH and OSHA in the aerobic pathways is the O 2 -dependent C—S bond formation catalyzed by non-heme iron enzymes (e.g., OvoA in ovothiol biosynthesis), but due to the lack of identification of key reactive intermediate the mechanism of this novel reaction is unresolved. In this study, we report the identification and characterization of a kinetically competent S=1 iron(IV) intermediate supported by a four-histidine ligand environment (three from the protein residues and one from the substrate) in enabling C—S bond formation in OvoA from Methyloversatilis thermotoleran, which represents the first experimentally observed intermediate spin iron(IV) species in non-heme iron enzymes. Results reported in this study thus set the stage to further dissect the mechanism of enzymatic oxidative C—S bond formation in the OSHA biosynthesis pathway. They also afford new opportunities to study the structure-function relationship of high-valent iron intermediates supported by a histidine rich ligand environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

New insights into fuel blending effects: Intermolecular chemical kinetic interactions affecting autoignition times and intermediate-temperature heat release

Fuel blending effects on chemically-dominated fuel properties, such as gasoline anti-knock quality, are influenced by fundamental chemical kinetic interactions between the blending agent and the base fuel. Historically, quantification of such interactions has focused on changes to the radical pool, including $\dot{O}$H and HO 2 , while intermolecular interactions pertaining to carbonated, non-fuel-specific intermediates are typically overlooked. In this regard, this work aims to derive new insight into intermolecular chemical kinetic interactions that are intrinsic to fuel blending effects via a case study on blends of 0–30% ethanol (by volume) into FGF-LLNL (a multi-component gasoline surrogate for FACE-F research gasoline) using a rapid compression machine at a diluted/stoichiometric fuel loading, compressed pressure of 40 bar and low- to intermediate-temperature regimes that are representative of boosted SI engine operation. Ethanol blending effects on the intermediate temperature heat release (ITHR) of FGF-LLNL are characterized using experimental measurements, where ethanol is found to promote the extent of ITHR and suppress the transition from ITHR to main ignition. Chemical kinetic modeling is undertaken using a recently updated gasoline surrogate model. Sensitivity analyses on ITHR characteristics further corroborate the ethanol blending effects, and highlight the significant dependence of ITHR on both fuel-specific and non-fuel-specific reactions. An approach allowing comprehensive characterization of the complex intermolecular chemical kinetic interactions between constitutes in a fuel blend is then proposed. Application of the approach to FGF-LLNL/E0–E30 reveals that ethanol perturbs the heat release and autoignition characteristics of FGF-LLNL not only by directly changing the $\dot{O}$H and HO 2 radical pools via fuel-specific reactions, but also through intermolecular interactions where participating intermediates can be produced and consumed by various sub-chemistries. Disabling the intermolecular interactions in carbonated species between ethanol and FGF-LLNL sub-chemistries leads to somewhat slower ITHR evolution and lower ignition reactivity. The role of the individual intermolecular interaction is also characterized using the proposed approach. Lastly, implications of intermolecular interactions for future studies that aim to improve model performance are highlighted, where it is found that further investigations on the core C0-C4 chemistry are needed for developing highly accurate chemistry models for complex fuel blends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Mechanical characterization of 304L-VAR stainless steel in tension with a full coverage of low, intermediate, and high strain rates

A 304L-VAR stainless steel is mechanically characterized in tension over a full range of strain rates from low, intermediate, to high using a variety of apparatuses. While low- and high-strain-rate tests are conducted with a conventional Instron and a Kolsky tension bar, the tensile tests at intermediate strain rates are conducted with a fast MTS and a Drop-Hopkinson bar. The fast MTS used in this study is able to obtain reliable tensile response at the strain rates up to 150 s -1 , whereas the lower limit for the Drop-Hopkinson bar is 100 s -1 . Combining the fast MTS and the Drop-Hopkinson bar closes the gap within the intermediate strain rate regime. Using these four apparatuses, the tensile stress-strain curves of the 304L-VAR stainless steel are obtained at strain rates on each order of magnitude ranging from 0.0001 to 2580 s -1 . All tensile stress-strain curves exhibit linear elasticity followed by significant work hardening prior to necking. After necking occurrs, the specimen load decreases, and the deformation becomes highly localized until fracture. The tensile stress-strain response of the 304L-VAR stainless steel exhibits strain rate dependence. The flow stress increases with increasing strain rate and is described with a power law. The strain-rate sensitivity is also strain-dependent, possibly due to thermosoftening caused by adiabatic heating at high strain rates. The 304L-VAR stainless steel shows significant ductility. The true strains at the onset of necking and at failure are determined. The results show that the true strains at both onset of necking and failure decrease with increasing strain rate. The true failure strains are approximately 200% at low strain rates but are significantly lower (~100%) at high strain rates. The transition of true failure strain occurs within the intermediate strain rate range between 10 -2 and 10 2 s -1 . A Boltzmann description is used to present the effect of nominal strain rate on true failure strain.

304L-VAR stainless Steel↗

DOE OSTI2024

Life Cycle Greenhouse Gas Emissions of Growing Intermediate Winter Oilseed Feedstocks for Sustainable Aviation Fuel Production

Ensuring an adequate supply of feedstock is a key challenge to achieving a significant production volume of sustainable aviation fuels (SAFs). One promising feedstock for SAFs is intermediate winter oilseeds added to existing crop production as alternatives to the winter fallow period. In this work, three intermediate winter oilseed crops─camelina ( Camelina sativa L. Crantz .), carinata ( Brassica carinata ), and pennycress ( Thlaspi arvense L .)─are evaluated for their life cycle greenhouse gas (GHG) emissions when harvested and processed into hydroprocessed renewable jet (HRJ). We evaluate solvent extraction (SE) and mechanical pressing as alternative oil extraction methods and examine the impacts of various allocation methods used in the oil extraction process. The GHG emissions reduction potential of camelina-, carinata-, and pennycress-derived HRJs are 50.4%, 65.2%, and 65.7%, respectively, compared to petroleum jet fuel, with SE as an oil extraction method and under mass-based allocation. Combined with the estimated production potential of camelina, carinata, and pennycress as intermediate winter oilseed, 2.5 billion gallons of HRJ can be produced annually, and the total GHG savings could amount to 19.3 million tons when these HRJs replace petroleum jet fuels. In addition, we collect literature information to assess the impacts of these intermediate winter oilseeds on indirect land use change emissions and soil organic carbon sequestration potentials.

camelina↗

DOE OSTI2020

An intriguing intermediate state as a bridge between antiferroelectric and ferroelectric perovskites

The configuration of electric or magnetic dipoles embedded into a crystal lattice gives rise to the defining physical properties of a functional material. The prevailing antiferroelectric materials have so far been allusively assumed to be in a strict antiparallel electric polarization configuration, although they have shown huge potential applications for use in electronic devices. Herein, we have revealed for the first time the complex crystal structure of an intermediate state between the two conventional antiferroelectric (AFE) and ferroelectric (FE) states in PbZrO 3 -based perovskites by employing a combination of advanced synchrotron X-ray, neutron and three-dimensional (3D) electron diffraction techniques. We found that the intermediate state displays an intriguing flexible configuration of a sinusoidal wave functional with imbalanced polarization, different to the commonly believed antiparallel and balanced polarization. Such an intermediate state was concluded to act as a bridge between the conventional AFE and FE states. Our observations offer new insight into the AFE state and its transformation into the FE state. Such an intermediate state with a unique polarization configuration is believed to be a common feature that occurs in high-performance AFE perovskite materials.

36 MATERIALS SCIENCE↗