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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Phase Diagrams of a 2D Dilute Antiferromagnetic Ising Model with Charged Impurities

In this work, we address a topical problem of a competition of charge and spin ordering for high-T cuprates. We have studied a simplified static 2D spin-pseudospin model on a square lattice, which takes into account both conventional antiferromagnetic spin exchange coupling and the on-site and intersite charge correlations in the CuO{sub 2} planes with the on-site Hilbert space reduced to only three effective valent states. We compared an analytical results for the ground state and for the temperature phase diagrams obtained in a mean field approximation and a large amount of the classical Monte Carlo calculations. Numerical results show that homogeneous ground state antiferromagnetic solutions found in a mean field approximation are unstable for the “strong” exchange limit with respect to phase separation with the charge and spin subsystems behaving like immiscible quantum liquids. We found an analytical expression for critical temperature of phase separation and performed the comparison with the Monte Carlo results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Asymptotic Behaviour of Ground States for Mixtures of Ferromagnetic and Antiferromagnetic Interactions in a Dilute Regime

We consider randomly distributed mixtures of bonds of ferromagnetic and antiferromagnetic type in a two-dimensional square lattice with probability 1−p and p, respectively, according to an i.i.d. random variable. We study minimizers of the corresponding nearest-neighbour spin energy on large domains in ℤ{sup 2}. We prove that there exists p{sub 0} such that for p≤p{sub 0} such minimizers are characterized by a majority phase; i.e., they take identically the value 1 or − 1 except for small disconnected sets. A deterministic analogue is also proved.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Zero-Temperature Dynamics in the Dilute Curie–Weiss Model

We consider the Ising model on a dense Erdős–Rényi random graph, G(N,p), with p>0 fixed—equivalently, a disordered Curie–Weiss Ising model with Ber(p) couplings—at zero temperature. The disorder may induce local energy minima in addition to the two uniform ground states. In this paper we prove that, starting from a typical initial configuration, the zero-temperature dynamics avoids all such local minima and absorbs into a predetermined one of the two uniform ground states. We relate this to the local MINCUT problem on dense random graphs; namely with high probability, the greedy search for a local MINCUT of G(N,p) with p>0 fixed, started from a uniform random partition, fails to find a non-trivial cut. In contrast, in the disordered Curie–Weiss model with heavy-tailed couplings, we demonstrate that zero-temperature dynamics has positive probability of absorbing in a random local minimum different from the two homogenous ground states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Optimization of dilute-phosphoric-acid steam pretreatment of Eucalyptus benthamii for biofuel production

This work deals with the production of ethanol from phosphoric acid-impregnated, steam-exploded Eucalyptus benthamii. The whole conversion process, addressing pretreatment, enzymatic hydrolysis of the whole slurry, and fermentation of both C5 and C6-sugars including a presaccharification step, is covered in this study. This work deals with the production of ethanol from phosphoric acid-impregnated, steam-exploded Eucalyptus benthamii. The whole conversion process, addressing pretreatment, enzymatic hydrolysis of the whole slurry, and fermentation of both C5 and C6-sugars including a presaccharification step, is covered in this study. Two separate models were developed to maximize sugar content and minimize inhibitor concentrations, resulting in xylose yields of ~50% and ~60% after pretreatment. In addition, a Liquefaction plus Simultaneous Saccharification and co-Fermentation (L+SScF) was performed to compare the fermentability of the resulting pretreated biomass. After the 6-h liquefaction step using the Cellic CTec2 enzyme from Novozyme and 10% DW pretreated biomass, the total sugar concentration in the slurry was 47 g/L and 51 g/L for the two conditions respectively. Enzymatic hydrolysis continued during fermentation using an ethanologenic derivative of Escherichia coli KO11. Here, the sugars were completely consumed in 96 h with product yields of 0.217 and 0.243 g ethanol/g DW biomass for each condition, respectively. Furthermore, these yields are equivalent to 275 and 304 L/tonne DW, confirming the effectiveness of the L+SScF process using phosphoric-acid-pretreated Eucalyptus.

Bioethanol↗
DOE OSTI2018

Impact of nitrate on the redox chemistry and solubility of Tc(IV) in alkaline, dilute to concentrated aqueous NaCl solutions

Here, the impact of nitrate on the redox behaviour and solubility of 99 Tc(IV) was investigated in 0.1–5.0 M NaCl–NaNO 3 –NaOH solutions with 0.1 M ≤ [NO 3 – ] ≤ 1.0 M and 8.5 ≤ pH m ≤ 14.5 (with pH m = –log [H + ]) in the presence or absence of reducing agents (as Fe powder, Na 2 S 2 O 4 , Sn(II)). The evolution of the redox conditions as a function of time (for t ≤ 450 days) was investigated: (i) in the absence of technetium (inactive samples), (ii) in the presence of 99 Tc(IV) (added as 1–2 mg of TcO 2 ∙0.6H 2 O(am)), and (iii) in the presence of 137 Cs(I) (and absence of 99 Tc). All experiments were conducted in an Ar-glovebox (O 2 < 1 ppm) at T = (22 ± 2) °C. An improved understanding of Tc redox processes in nitrate-rich alkaline solutions is relevant to predict Tc behaviour in specific nuclear waste disposal scenarios and a topic of fundamental scientific interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Chemical repair of base lesions, AP-sites, and strand breaks on plasmid DNA in dilute aqueous solution by ascorbic acid

Highlights: •We report a novel mechanism of radiation protection of DNA by chemical activity of ascorbic acid. •The “chemical repair” of DNA damage was revealed using biochemical assay and chemical kinetics analysis. •We found that ascorbic acid significantly repairs precursors of nucleobase lesions and abasic sites. •However, ascorbic acid seldom repairs precursors of DNA-strand breaks. -- Abstract: We quantified the damage yields produced in plasmid DNA by γ-irradiation in the presence of low concentrations (10–100 μM) of ascorbic acid, which is a major antioxidant in living systems, to clarify whether it chemically repairs radiation damage in DNA. The yield of DNA single strand breaks induced by irradiation was analyzed with agarose gel electrophoresis as conformational changes in closed circular plasmids. Base lesions and abasic sites were also observed as additional conformational changes by treating irradiated samples with glycosylase proteins. By comparing the suppression efficiencies to the induction of each DNA lesion, in addition to scavenging of the OH radicals derived from water radiolysis, it was found that ascorbic acid promotes the chemical repair of precursors of AP-sites and base lesions more effectively than those of single strand breaks. We estimated the efficiency of the chemical repair of each lesion using a kinetic model. Approximately 50–60% of base lesions and AP-sites were repaired by 10 μM ascorbic acid, although strand breaks were largely unrepaired by ascorbic acid at low concentrations. The methods in this study will provide a route to understanding the mechanistic aspects of antioxidant activity in living systems.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗