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Zhang, Yu

Publications and source records attributed to Zhang, Yu.

At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Molecular Investigation of Oxidized Graphene: Anatomy of the Double-Layer Structure and Ion Dynamics

We investigated the influence of surface oxidization of planar graphene electrodes on charge storage and ion dynamics of supercapacitors. Our approach compared two distinct ionic liquid (IL) electrolytes: tetraethylammonium tetrafluoroborate solvated in acetonitrile (TEA-BF4/ACN) and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide solvated in acetonitrile (EMIm-TFSI/ACN). Both experimental electrochemical tests and molecular dynamics (MD) simulations showed positive, electrolyte-specific influences of hydroxyl-free electrode interfaces on capacitance. In the EMIm-TFSI/ACN system, the hydroxylated surface, because of its strong interaction with anions, impeded surface charge storage. On the other hand, in the case of TEA-BF4/ACN, the distribution and orientation of ACN across the system exerted vital influence on the capacitance, especially on the positive hydroxyl-free electrode. Furthermore, MD simulations of ion mobility with respect to the electrode surface in the lateral and perpendicular directions revealed significantly slower diffusion performance on the oxidized surface. Our efforts enhanced the level of fundamental understanding of the effects of hydroxyl groups on electrode–electrolyte interfaces and resulting supercapacitor performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Fluctuant storage temperature increased the heterogeneous distributions of pH and fermentation products in large round bale silage

Abstract In practical of silage production, variations in the fermentation parameters of silage might be attributable to changes in weather data, especially for ambient temperature. The objective of this study was to investigate how the changed temperature of outside weather condition affects distributions of pH and fermentation products in large round bale silage. The bale silages (1.22 m × 1.25 m ø; density, about 168.9 kg dry matter [DM]/m 3 ) were produced by BR6090 Combi from New Holland Agriculture, wrapped with six layers of stretch film, stored at ambient temperature (2–20°C) and constant temperature (10°C; 15°C; 25°C) for 3, 9, 15, 45 and 90 days. Compared with other silages, silage stored at 25°C had higher ( p < 0.05) lactic acid content, lower ( p < 0.05) pH, butyric acid content and ammonia‐nitrogen (N) ratio of total N. Fluctuant storage temperature limited lactic acid fermentation process with delayed pH decline and continuous butyric production and crude protein (CP) degradation. The differences of pH, lactic acid, propionic acid and ammonia‐N were considerably less evident in the centre of silages stored at different temperatures, and they increased towards the boundaries. The data shows that fluctuant storage temperature had undesirable effect on the fermentation quality of silage, especially for the external part of silo; relatively high and stable storage temperature for initial stage of ensiling process was necessary, but did not promote a positive response to the homogeneous distributions of pH and fermentation products in large round bale silage.

Li, Ping↗
DOE OSTI2019

Effect of Fuel Properties on Spray and Combustion Characteristics under Compression Ignition Engine Conditions

In this paper, a review of experimental findings from multiple laboratories using different fuels was performed based on the Engine Combustion Network’s (ECN) Spray A. The main objective was to achieve a better understanding of fuel properties’ effects on spray and combustion characteristics at compression ignition (CI) engine conditions. The experimental summary includes results from a total of 26 fuels and they were classified into four categories: Primary Reference Fuels (PRF), jet fuels, gasoline fuels, and diesel fuels. The spray and combustion behaviors of those fuels, including liquid and vapor penetrations, lift-off length, and ignition delay, were analyzed and correlated with basic fuel properties. The results showed that higher density, boiling temperature and viscosity generally lead to longer liquid length. At reacting conditions, a higher cetane number results in a shorter ignition delay and lift-off length. Furthermore, a strong negative correlation between ignition delay/lift-off-length and cetane number was observed for a wide range of fuels. In the second part of this paper, 3-D computational fluid dynamics (CFD) modeling using the Reynolds-Averaged Navier-Stokes (RANS) formulation was performed on PRF fuels to obtain detailed insight into how the fuel physical and chemical properties affect the spray and combustion processes. The results showed that lower ignitability occurred as the iso-octane content in fuel increased and this led to a leaner fuel environment and lower emissions at a higher PRF.

fuel properties, spray and combustion characterist↗
DOE OSTI2019

Effects of Heat Treatment on Microstructure, Mechanical Properties, Corrosion Resistance and Cytotoxicity of ZM21 Magnesium Alloy as Biomaterials

The effects of heat treatment on microstructure, mechanical properties, corrosion resistance and cytotoxicity of extruded Mg-2Zn-1Mn (wt.%) alloy were investigated for biomedical application in this study. The extruded alloy was T4 treated at 510 °C for 4 h and T5 treated at 200 °C for 16 h separately. The extruded Mg-Zn-Mn alloy mainly consists of Mg{sub x}Mn{sub y} phases. After T4 treatment, the amount of Mg{sub x}Mn{sub y} phases decreases and average grain size rises from 8 to 24 μm. After T5 treatment, Mg{sub 7}Zn{sub 3} phase newly precipitates along the grain boundaries and the size of grain remains similar. Compared with the T4-treated samples, the extruded and T5-treated samples exhibit higher mechanical properties. The T5-treated samples have an ultimate tensile stress of 273 MPa and an elongation of 19.7%. On the other hand, T4-treated samples present higher corrosion resistance in electrochemical tests. The degradation rates of extruded, T4-treated and T5-treated samples are 0.44 mm/year, 0.48 mm/year and 0.50 mm/year, respectively, in Ringer’s solution at 37 ± 0.2 °C. In addition, T4-treated alloy does not induce toxicity to the L-929 cells in in vitro cytotoxicity test.

36 MATERIALS SCIENCE↗
DOE OSTI2019

CFD-Guided Combustion System Optimization of a Gasoline Range Fuel in a Heavy-Duty Compression Ignition Engine Using Automatic Piston Geometry Generation and a Supercomputer

A computational fluid dynamics (CFD) guided combustion system optimization was conducted for a heavy-duty diesel engine running with a gasoline fuel that has a research octane number (RON) of 80. The goal was to optimize the gasoline compression ignition (GCI) combustion recipe (piston bowl geometry, injector spray pattern, in-cylinder swirl motion, and thermal boundary conditions) for improved fuel efficiency while maintaining engine-out NO x within a 1-1.5 g/kW-hr window. The numerical model was developed using the multi-dimensional CFD software CONVERGE. A two-stage design of experiments (DoE) approach was employed with the first stage focusing on the piston bowl shape optimization and the second addressing refinement of the combustion recipe. For optimizing the piston bowl geometry, a software tool, CAESES, was utilized to automatically perturb key bowl design parameters. This led to the generation of 256 combustion chamber designs evaluated at several engine operating conditions. The second DoE campaign was conducted to optimize injector spray patterns, fuel injection strategies and in-cylinder swirl motion for the best performing piston bowl designs from the first DoE campaign. This comprehensive optimization study was performed on a supercomputer, Mira, to accelerate the development of an optimized fuel-efficiency focused design. Compared to the production combustion system in the baseline engine, the new combustion recipe from this study showed significantly improved closed-cycle fuel efficiency across key engine operating points while meeting the engine-out NO x targets. Optimized piston bowl designs and injector spray patterns were predicted to provide enhanced in-cylinder air utilization and more rapid mixing-controlled combustion, thereby leading to a fuel efficiency improvement. In addition, shifting the engine thermal boundary conditions toward leaner operation was also key to the improved fuel efficiency.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2018

Tundra landscape heterogeneity, not interannual variability, controls the decadal regional carbon balance in the Western Russian Arctic

Across the Arctic, the net ecosystem carbon (C) balance of tundra ecosystems is highly uncertain due to substantial temporal variability of C fluxes and to landscape heterogeneity. We modeled both carbon dioxide (CO2) and methane (CH4) fluxes for the dominant regional land cover types in a sub-Arctic tundra region in northeast European Russia for the period of 2006-2015 using coupled biogeochemical and permafrost models. Modeled net annual CO2 fluxes ranged from -300 g C m-2 y-1 [net uptake] in a willow fen to 3 g C m-2 y-1 [net source] in dry lichen tundra. Modeled annual CH4 emissions ranged from -0.2 to 22.3 g C m-2 y-1 at a peat plateau site and a willow fen site, respectively. Interannual variability over the decade was relatively small (20-30%) in comparison to variability among the land cover types (120-225%). Using high-resolution land cover classification, the region was a net sink of atmospheric CO2 across most land cover types but a net source of CH4 to the atmosphere due to high emissions from permafrost-free fens. Using a lower-resolution for land cover classification resulted in a 20-65% underestimation of regional CH4 flux and smaller (10%) overestimation of regional CO2 uptake, leading to an overall overestimation of the regional GHG sink by 90% due to the underestimation of wetland extent by 60%. Accurately capturing the relative fraction of uplands versus wetlands was key to determining the net regional C balance but required high (<25-30 m) spatial resolution.

Treat, Claire↗
DOE OSTI2018

Chlorinated Wide-Bandgap Donor Polymer Enabling Annealing Free Nonfullerene Solar Cells with the Efficiency of 11.5%

Substituting the hydrogen atoms on the conjugated side chain of a wide-bandgap polymer J52 with chlorine atoms can simultaneously increase the J sc , V oc , and FF of nonfullerene OSCs, leading to an efficiency boost from 3.78 to 11.53%, which is among the highest efficiencies for as-cast OSCs reported to date. To illustrate the impressive 3-fold PCE enhancement, the chlorination effect on the optical properties and energy levels of polymers, film morphology, and underlying charge dynamics is systematically investigated. Grazing incidence wide-angle X-ray scattering studies show that chlorinated J52-2Cl exhibits strong molecule aggregation, the preferred face-on orientation, and enhanced intermolecular pi-pi interactions, hence increasing the charge carrier mobility by 1 order of magnitude. Moreover, chlorination modifies the miscibility between the donor and acceptor and consequently optimizes the phase separation morphology of J52-2Cl:ITIC blend films. Finallyhese results highlight chlorination as a promising approach to achieve highly efficient as-cast OSCs without any extra treatment.

14 SOLAR ENERGY↗
DOE OSTI2018

Interlayer-Decoupled Sc-Based Mxene with High Carrier Mobility and Strong Light-Harvesting Ability

Two-dimensional (2D) van der Waals (vdW) layered materials offer a unique combination of electronic and structural properties attractive for technological applications. Most of them show strong vdW interactions, which lead to interlayer-coupled optoelectronic properties due to quantum confinement. Here we present a systematic computational study of one Mxene, 2D double-metal-layered scandium chloride carbides (Sc 2 CCl 2 ). Unlike conventional quantum-confined nanosystems, 2D Sc 2 CCl 2 exhibits weak vdW interactions with robust interlayer-decoupled optoelectronic properties and extremely high and anisotropic carrier mobilities of about 1–4.5 × 10 4 cm 2 V –1 s –1 that consequently produce comparatively large drain currents. Specifically, the 2D Sc 2 CCl 2 family has strong light-harvesting ability and could be utilized as efficient donor materials in excitonic solar cells. Overall, in combination with high structural stability against ambient conditions, interlayer-decoupled robust optoelectronic properties potentially relax the requirements for the fabrication of high-quality monolayers and for selection of suitable substrates and suggest promising next-generation optoelectronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Integrin β1 promotes gemcitabine resistance in pancreatic cancer through Cdc42 activation of PI3K p110β signaling

Pancreatic ductal adenocarcinoma (PDAC) is one of the most common malignancies with very poor prognosis due to its broad resistance to chemotherapy. Our previous study showed that integrin β1 expression is upregulated in PDAC and confers gemcitabine resistance in PDAC cells via the signaling pathway including Cdc42 and AKT activation. But the accurate signal transductions are not clear. Here, we aimed to illuminate the signal transductions of integrin β1 in the acquisition of gemcitabine resistance in PDAC. Drug-resistance (DR) cells from AsPC-1 parent cell line (PCL) were selected. Integrin β1 expression was determined using western blot assay. Changes in drug response and the activity of phosphatidylinositol 3-kinase (PI3K) signaling after knockdown of integrin β1, Cdc42 or p110β were evaluated using MTT, cleaved caspase-3 immunofluorescence and western blot assay. Western blot assays also detected the variations in Cdc42 activity and p110β expression after integrin β1 knockdown. The interaction between Cdc42 and p110β was determined by Glutathione S-transferase (GST) pull-down assay. The results showed that integrin β1 expression was upregulated in DR-AsPC-1 cells, and integrin β1 knockdown significantly decreased the activity of Cdc42, a target molecule of integrin β1, and p110β expression. Knockdown of anyone of integrin β1, Cdc42 and p110β inhibited the activity of PI3K signaling, and sensitized DR-AsPC-1 cells to gemcitabine. GST pull-down assay showed that GTP-Cdc42 interacted with p110β. Collectively, these data indicated that integrin β1 promoted gemcitabine resistance in PDAC through Cdc42 activation of PI3K p110β signaling. In vivo experiments also confirmed this conclusion. These findings contribute to a better understanding the molecular mechanism of chemoresistance and facilitate the development of more targeted and effective treatment strategy for PDAC.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

PTP1B promotes the malignancy of ovarian cancer cells in a JNK-dependent mechanism

Highlights: • High expression level of PTP1B is linked to the malignancy phenotypes of ovarian cancer cells. • The expression level of PTP1B can affect tumor growth. • PTP1B regulates key factors involved in cell invasion and migration. • PTP1B promoted the malignancy of cancer cells in a JNK-dependent mechanism. Ovarian cancer is the leading cause of death from gynecological malignancies in women. Diagnosis at the early stage remains challenging and efficient treatment is still highly needed. The development and progression of this cancer is associated with many genetic and epigenetic changes, representing the dysregulation of a highly complex signaling network. Previous studies found that protein-tyrosine phosphatase 1 B (PTP1B) was aberrantly expressed in many types of ovarian cancer cells. The exact role of this protein, however, remains controversial. We found that PTP1B was highly expressed in several ovarian carcinoma cell lines. Changing its expression level strongly affected the malignancy phenotypes of the cultured cancer cells and growth of tumors in nude mice. Further analysis at the molecular level found that overexpression of PTP1B activated the JNK (c-Jun N-terminal kinase) signaling pathway and impacted a set of factors involved in cancer metastasis. Overall, our study suggested that overexpression of PTP1B could be a driving factor in the tumorigenesis and progression of ovarian cancer and restoring the normal expression level of this signaling molecule may represent a promising strategy in treating this disease.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

A modified formula for dose calculations of stereotactic ablative body radiotherapy for non–small cell lung cancer

To provide a modified formula consistent with the Monte Carlo (MC) algorithm for dose calculations during stereotactic ablative body radiotherapy for non–small cell lung cancer. Seventy CyberKnife treatment plans were calculated and analyzed by MC and ray-tracing (RT) algorithms, separately. Parameters of treatment plans were compared, and those associated with differences of dose distributions were analyzed to establish a modified formula. Gross tumor volume and tumor tracking volume (TTV) were defined as the evident disease on the sequences of the window width and level of the lung and the mediastinum. Additionally, the formula was validated by another 20 plans. The prescription dose of the 90 patients was 60 Gy/5f. The RT algorithm overestimated the planning target volume (PTV) D{sub 95} by an average of 8.59 Gy and the gross tumor volume D{sub 99} by an average of 5.84 Gy. The homogeneity index of PTV was underestimated by 0.11 on average, whereas the conformity index and new conformity index was underestimated by 0.05. The RT algorithm overestimated the dose distribution to the spinal cord by 2.23 Gy, the esophagus by 1.96 Gy, the trachea by 1.89 Gy, the left-sided bronchus by 1.77 Gy, the right-sided bronchus by 1.64 Gy, and the heart by 2.16 Gy. The average whole-lung dose volumes of lung tissues and dose volumes of V{sub 5} were overestimated by 2.69 Gy and 7.52%, respectively. A power function distribution (R{sup 2} = 0.8626) was confirmed between PTV D{sub 95} and TTV volumes. PTV D{sub 95} calculated by the MC algorithm could be computed easily with TTV and PTV D{sub 95} calculated by the RT algorithm based on the formula. The modified equation was more consistent with MC algorithm than with other formula, which could be a reference to those not accessible to the MC algorithm.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Polypeptides having catalase activity and polynucleotides encoding same

The present invention relates to isolated polypeptides having catalase activity and polynucleotides encoding the polypeptides. The invention also relates to nucleic acid constructs, vectors, and host cells comprising the polynucleotides as well as methods of producing and using the polypeptides.

Liu, Ye↗
DOE OSTI2018

Polypeptides having beta-xylosidase activity and polynucleotides encoding same

The present invention relates to isolated polypeptides having beta-xylosidase activity and polynucleotides encoding the polypeptides. The invention also relates to nucleic acid constructs, vectors, and host cells comprising the polynucleotides as well as methods of producing and using the polypeptides.

Zhang, Yu↗