16 Search Results

Bioconversion of bioresources/wastes (e.g., lignin, chemical pulping byproducts) represents a promising approach for developing a bioeconomy to help address growing energy and materials demands. Rhodococcus, a promising microbial strain, utilizes numerous carbon sources to produce lipids, which are precursors for synthesizing biodiesel and aviation fuels. However, compared to chemical conversion, bioconversion involves living cells, which is a more complex system that needs further understanding and upgrading. Various wastes amenable to bioconversion are reviewed herein to highlight the potential of Rhodococci for producing lipid-derived bioproducts. In light of the abundant availability of these substrates, Rhodococcus’ metabolic pathways converting them to lipidsmore » are analyzed from a “beginning-to-end” view. Based on an in-depth understanding of microbial metabolic routes, genetic modifications of Rhodococcus by employing emerging tools (e.g., multiplex genome editing, biosensors, and genome-scale metabolic models) are presented for promoting the bioconversion. Co-solvent enhanced lignocellulose fractionation (CELF) strategy facilitates the generation of a lignin-derived aromatic stream suitable for the Rhodococcus’ utilization. Novel alkali sterilization (AS) and elimination of thermal sterilization (ETS) approaches can significantly enhance the bioaccessibility of lignin and its derived aromatics in aqueous fermentation media, which promotes lipid titer significantly. In order to achieve value-added utilization of lignin, biodiesel and aviation fuel synthesis from lignin and lipids are further discussed. In conclusion, the possible directions for unleashing the capacity of Rhodococcus through synergistically modifying microbial strains, substrates, and fermentation processes are proposed toward a sustainable biological lignin valorization.« less

Erythritol has been proposed as an inert surrogate for developing theoretical and computational models to study aging in energetic materials. In this work, we present a comparison of mechanical and shock properties of erythritol computed using the ReaxFF reactive force field and from ab initio calculations employing density functional theory (DFT). We screened eight different ReaxFF parameterizations, of which the CHO parameters developed for hydrocarbon oxidation provide the most accurate predictions of mechanical properties and the crystal structure of erythritol. Further validation of the applicability of this ReaxFF parameterization for modeling erythritol is demonstrated by comparing predictions of the elasticmore » constants, crystal structure, vibrational density of states, and Hugoniot curves against DFT calculations. The ReaxFF predictions are in close agreement with the DFT simulations for the elastic constants and shock Hugoniot when the crystal is loaded along its c axis but show as much as 30% disagreement in the elastic constants in the ab plane and 12% difference in shock pressures when shocked along the a or b crystal axes. Last, we compare thermomechanical properties predicted from classical molecular dynamics with those calculated using the quasi-harmonic approximation and show that quantum mechanical effects produce large discrepancies in the computed values of heat capacity and thermal expansion coefficients compared with classical assumptions. Combining classical molecular dynamics predictions of mechanical behavior with phonon-based calculations of thermal behaviors, we show that predicted shock-induced temperatures for pressures up to 6.5 GPa do not exceed the pressure-dependent melting point of erythritol.« less

Polyurea, an elastomer with a phase-segregated microstructure, has been proven as an effective coating in defense applications. To gain a more complete understanding of the high-pressure atomic-level morphology of these phases and to validate molecular dynamics (MD) simulations, multi-angle energy-dispersive X-ray diffraction experiments were performed in situ up to pressures of ~6 GPa at room temperature. Structure factors were obtained and compared to MD simulations with an average error of less than 5% between major peak positions. The first sharp diffraction peak shifted from 4.56 Å to lower d-spacing with pressure, indicating compression between hard segments. This was further supportedmore » by the behavior of a peak at ~3.86 Å from the pair distribution function (PDF), suspected to represent π-stacking and separation between soft segments. Compression within the hard segments themselves is minimal as low-r peaks in the PDF are not greatly affected by pressure.« less

Erycibes are members of the Convolvulaceae family, including more than 10 species worldwide that are distributed in tropical Asia. Some Erycibes species have long been used as traditional remedies for rheumatoid arthritis, fever, hepatitis, and liver injury in China and Thailand. A total of 152 compounds from Erycibes plants have been isolated and identified, categorized as flavonoids, coumarins, quinic acid derivatives, lignans, and alkaloids. Coumarins are the characteristic and active constituents of this species, including scopoletin and scopolin. Modern pharmacological studies have shown that the extracts and bioactive components of Erycibes plants exhibit several biological activities, including antiinflammatory, analgesic, hepatoprotective,more » anti‐gout, antitumor, antioxidation, and other therapeutic effects. However, in recent years, due to destructive exploitation and utilization, some Erycibes plants' natural resources have become rare or endangered. Developing substitutes is a strategy to alleviate the pressure on those endangered medicinal plant resources. To provide a scientific basis for the development and protection of those threatened Erycibes species, this review summarized the current status of the chemical compositions, pharmacological activities, quality control studies, and the development of substitutes for Erycibes plants. In particular, the rationale for use of Porana sinensis currently on the market is discussed.« less

This work focuses on irradiation behaviors of a novel silicon carbide and carbon coated nanostructured ferritic alloy (SiC-C@NFA) composite for potential applications as a cladding and structural material for next generation nuclear reactors. The SiC-C@NFA samples were irradiated with 1 MeV Kr ions up to 10 dpa at 300 and 450 °C. Microstructures and defect evolution were studied in-situ at the IVEM-Tandem facility at Argonne National Laboratory. The effects of ion irradiation on various phases such as α-ferrite matrix, (Fe,Cr)₇C₃, and (Ti,W)C precipitates were evaluated. The α-ferrite matrix showed a continuous increase in dislocation density along with spatial ordering ofmore » dislocation loops (or loop strings) at >5 dpa. The size of the dislocation loops at 450 °C was larger than that at 300 °C. The nucleation and growth of new (Ti,W)C precipitates in α-ferrite grains were enhanced with the ion dose at 450 °C. This study provides new insight into the irradiation resistance of the SiC-C@NFA system.« less

Radiation damage of structural materials leads to mechanical property degradation, eventually inducing failure. Secondary-phase dispersoids or other radiation defect sinks are often added to materials to boost their radiation resistance. We demonstrate that a metal composite made by adding 1D carbon nanotubes (CNTs) to aluminum (Al) exhibits superior radiation resistance. In situ ion irradiation with transmission electron microscopy (TEM) and atomistic simulations together reveal the mechanisms of rapid defect migration to CNTs, facilitating defect recombination and enhancing radiation tolerance. The origin of this effect is an evolving stress gradient in the Al matrix resulting from CNT transformation under irradiation, andmore » the stability of resulting carbides. Extreme value statistics of large defect behavior in our simulations highlight the role of CNTs in reducing accumulated damage. Furthermore, this approach to controlling defect migration represents a promising opportunity to enhance the radiation resistance of nuclear materials without detrimental effects.« less

This study characterizes the microstructural evolution of single-phase complex concentrated solid-solution alloy (CSA) compositions under heavy ion irradiation with the goal of evaluating mechanisms for CSA radiation tolerance in advanced fission systems. Three such alloys, Cr₁₈Fe₂₇Mn₂₇Ni ₂₈, Cr₁₅Fe₃₅Mn₁₅Ni₃₅, and equimolar NbTaTiV, along with reference materials (pure Ni and E90 for the Cr-FeMnNi family and pure V for NbTaTiV) were irradiated at 50 K and 773 K with 1 MeV Kr⁺⁺ ions to various levels of displacements per atom (dpa) using in-situ transmission electron microscopy. Cryogenic irradiation resulted in small defect clusters and faulted dislocation loops as large as 12 nmmore » in face-centered cubic (FCC) CSAs. With thermal diffusion suppressed at cryogenic temperatures, defect densities were lower in all CSAs than in their less compositionally complex reference materials indicating that point defect production is reduced during the displacement cascade stage. High temperature irradiation of the two FCC CSA resulted in the formation of interstitial dislocation loops which by 2 dpa grew to an average size of 27 nm in Cr₁₈Fe₂₇Mn₂₇Ni₂₈ and 10 nm in Cr₁₅Fe₃₅Mn₁₅Ni₃₅. This difference in loop growth kinetics was attributed to the difference in Mn-content due to its effect on the nucleation rate by increasing vacancy mobility or reducing the stacking-fault energy.« less

Here, the evolution of irradiation-induced defects in additively manufactured (AM) austenitic stainless steel was explored in situ by 1 MeV Kr ion irradiation at 450 and 600 °C in a transmission electron microscope. Cellular dislocation structure in AM steel act as sink/trap sites for the irradiation-induced defects, resulting in the lower density and smaller dislocation loops in AM steel than conventional forged (CF) steel at 450 °C. The higher stacking fault energy and local stress concentration induced by cellular dislocation structure in AM steel promotes the unfaulting process and the formation of network dislocation at 600 °C.

Displacive transformations have been widely reported in metals, alloys and ceramics, but rarely reported to be important in the aqueous corrosion of alloys. We report here our analysis of the formation of the hexagonal-ZrO suboxide during the aqueous corrosion of α-Zr alloys and propose this to be a paraequilibrium displacive transformation with the rate controlled by oxygen diffusion. Two orientation relationships were identified between α-Zr and hexagonal-ZrO, ${{\left(0002\right)}_{\alpha -Zr}\parallel \left(\overline{1}011\right)}_{h-more »}$ Z r O and ${{\left[\overline{2}110\right]}_{\alpha -Zr}\parallel \left[10\overline{1}2\right]}_{h-ZrO}$ or ${{\left(0002\right)}_{\alpha -Zr}\parallel \left(22\overline{4}\overline{1}\right)}_{h-ZrO}$ and ${{\left[\overline{2}110\right]}_{\alpha -Zr}\parallel \left[1\overline{1}01\right]}_{h-ZrO}$, with the first one more commonly observed. No specific orientation relationships between either hexagonal-ZrO and monoclinic-ZrO₂ or α-Zr and monoclinic-ZrO₂ were identified, which suggests that the formation of often-reported bulk oxide texture during aqueous corrosion is not related directly to the texture of the metallic substrate. In conclusion, these results provide a guideline for understanding the mechanisms of crystallographic evolution during oxide growth on commercial zirconium alloys, and also demonstrate the capability of transmission Kikuchi diffraction to investigate orientation relationships in nano-scale materials.« less