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Chen, Jun

Publications and source records attributed to Chen, Jun.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Correlation between mechanical properties and retained austenite characteristics in a low-carbon medium manganese alloyed steel plate

The effects of retained austenite characteristics on tensile properties and low-temperature impact toughness have been investigated by means of transmission electron microscopy and X-ray diffraction. It was found that only part of austenite phase formed during heat treating was left at room temperature. Moreover, the film-like retained austenite is displayed between bcc-martensite laths after heat treating at 600 °C, while the block-form retained austenite with thin hcp-martensite laths is observed after heat treating at 650 °C. It has been demonstrated that the film-like retained austenite possesses relatively high thermal and mechanical stability, and it can greatly improve low-temperature impact toughness, but its contribution to strain hardening capacity is limited. However, the block-form retained austenite can greatly enhance ultimate tensile strength and strain hardening capacity, but its contribution to low-temperature impact toughness is poor. - Highlights: • Correlation between retained austenite and impact toughness was elucidated. • The impact toughness is related to mechanical stability of retained austenite. • The effect of retained austenite on tensile and impact properties is inconsistent.

36 MATERIALS SCIENCE↗
DOE OSTI2015

LDRD @ SNL May 2015

Two topics funded under Sandia Laboratory's Lab-Directed Research and Development funds are described.

42 ENGINEERING↗
DOE OSTI2015

A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH{sub 4} system

We report a permutationally invariant global potential energy surface (PES) for the H + CH{sub 4} system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J{sub tot} = 0) including the abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Nuclear Data Sheets for A = 43

The experimental data are evaluated for known nuclides of mass number A = 43 (Al,Si,P,S,Cl,Ar,K,Ca,Sc,Ti,V,Cr). Detailed evaluated level properties and related information are presented, including adopted values of level and γ–ray energies, decay data (energies, intensities and placement of radiations), and other spectroscopic data. Here, this work supersedes earlier full evaluations of A = 43 published by 2001Ca24 and 1990En08 (also 1978En04, and 1998En04 update).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Enhanced photocatalytic hydrogen evolution efficiency using hollow microspheres of (CuIn) x Zn 2(1-x) S 2 solid solutions

Hollow spheres of multicomponent (CuIn) x Zn 2(1-x) S 2 solid solutions have been rapidly synthesized by a salt-assisted aerosol decomposition method. (CuIn) 0.2 Zn 1.6 S 2 hollow spheres with a band gap of 2.53 eV exhibited an excellent and stable photocatalytic activity of 360 μmol h-1 (50 mg photocatalysts) for hydrogen evolution from aqueous solutions containing sacrificial reagents (SO 3 2- and S 2- ) under visible light (λ ≥ 420 nm) due to the well-crystallized microspheres and mesoporous structures. H2 evolution rate of the (CuIn) 0.2 Zn 1.6 S 2 hollow spheres reached as high as 57 μmol h -1 (50 mg photocatalysts) even without Ru loading.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Negative thermal expansion in functional materials: controllable thermal expansion by chemical modifications

Negative thermal expansion (NTE) is an intriguing physical property of solids, which is a consequence of a complex interplay among the lattice, phonons, and electrons. Interestingly, a large number of NTE materials have been found in various types of functional materials. In the last two decades good progress has been achieved to discover new phenomena and mechanisms of NTE. In the present review article, NTE is reviewed in functional materials of ferroelectrics, magnetics, multiferroics, superconductors, temperature-induced electron configuration change and so forth. Zero thermal expansion (ZTE) of functional materials is emphasized due to the importance for practical applications. The NTE functional materials present a general physical picture to reveal a strong coupling role between physical properties and NTE. There is a general nature of NTE for both ferroelectrics and magnetics, in which NTE is determined by either ferroelectric order or magnetic one. In NTE functional materials, a multi-way to control thermal expansion can be established through the coupling roles of ferroelectricity-NTE, magnetism-NTE, change of electron configuration-NTE, open-framework-NTE, and so on. Chemical modification has been proved to be an effective method to control thermal expansion. Finally, challenges and questions are discussed for the development of NTE materials. There remains a challenge to discover a “perfect” NTE material for each specific application for chemists. The future studies on NTE functional materials will definitely promote the development of NTE materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Nuclear Hybrid Energy Systems - Regional Studies. West Texas and Northeastern Arizona

The primary objective of this study is to conduct a preliminary dynamic analysis of two realistic hybrid energy systems (HES) including a nuclear reactor as the main baseload heat generator (denoted as nuclear HES or nuclear hybrid energy systems [NHES]) and to assess the local (e.g., HES owners) and system (e.g., the electric grid) benefits attainable by the application of NHES in scenarios with multiple commodity production and high penetration of renewable energy. It is performed for regional cases - not generic examples - based on available resources, existing infrastructure, and markets within the selected regions. This study also briefly addresses the computational capabilities developed to conduct such analyses, reviews technical gaps, and suggests some research paths forward.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Nuclear Hybrid Energy Systems Regional Studies: West Texas & Northeastern Arizona

The primary objective of this study is to conduct a preliminary dynamic analysis of two realistic hybrid energy systems (HES) including a nuclear reactor as the main baseload heat generator (denoted as nuclear HES or nuclear hybrid energy systems [[NHES]) and to assess the local (e.g., HES owners) and system (e.g., the electric grid) benefits attainable by the application of NHES in scenarios with multiple commodity production and high penetration of renewable energy. It is performed for regional cases not generic examples based on available resources, existing infrastructure, and markets within the selected regions. This study also briefly addresses the computational capabilities developed to conduct such analyses, reviews technical gaps, and suggests some research paths forward.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Semiconductor/relaxor 0–3 type composites without thermal depolarization in Bi 0.5 Na 0.5 TiO 3 -based lead-free piezoceramics

Commercial lead-based piezoelectric materials raised worldwide environmental concerns in the past decade. Bi 0.5 Na 0.5 TiO 3 -based solid solution is among the most promising lead-free piezoelectric candidates; however, depolarization of these solid solutions is a longstanding obstacle for their practical applications. Here we use a strategy to defer the thermal depolarization, even render depolarization-free Bi 0.5 Na 0.5 TiO 3 -based 0–3-type composites. This is achieved by introducing semiconducting ZnO particles into the relaxor ferroelectric 0.94Bi 0.5 Na 0.5 TiO 3 –0.06BaTiO 3 matrix. The depolarization temperature increases with increasing ZnO concentration until depolarization disappears at 30 mol% ZnO. The semiconducting nature of ZnO provides charges to partially compensate the ferroelectric depolarization field. These results not only pave the way for applications of Bi 0.5 Na 0.5 TiO 3 -based piezoceramics, but also have great impact on the understanding of the mechanism of depolarization so as to provide a new design to optimize the performance of lead-free piezoelectrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Microwave heating synthesis and formation mechanism of chalcopyrite structured CuInS{sub 2} nanorods in deep eutectic solvent

Graphical abstract: Chalcopyrite structured CuInS{sub 2} nanorods were synthesized by an environmentally friendly microwave heating method in deep eutectic solvent. Results show that microwave heating time plays an important role in the formation of CuInS{sub 2} nanostructure phase. The SEM results indicated that the obtained CuInS{sub 2} nanostructures display rod-like morphology with diameters of about 40 nm and lengths of about 400 nm. The UV–vis spectrum results indicated that the CuInS{sub 2} nanorods exhibit strong absorption from the entire visible light region to the near-infrared region beyond 1100 nm. The possible growth mechanism of CuInS{sub 2} nanorods was discussed. - Abstract: Chalcopyrite structured CuInS{sub 2} nanorods were synthesized by an environmentally friendly microwave heating method in deep eutectic solvent. The as-synthesized CuInS{sub 2} nanorods were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS), respectively. The results indicated that the obtained CuInS{sub 2} nanostructures display rod-like morphology with diameters of about 40 nm and lengths of about 400 nm. The influences of microwave heating time on the formation of CuInS{sub 2} phase were discussed. Ultraviolet–visible (UV–vis) and photoluminescence (PL) spectra were utilized to investigate the optical properties of CuInS{sub 2} nanorods. The results showed that the as-synthesized CuInS{sub 2} nanorods exhibit strong absorption from the entire visible light region to the near-infrared region beyond 1100 nm. PL spectrum of the as-synthesized CuInS{sub 2} nanorods displays an emission peak centered at 580 nm under excitation wavelength of 366 nm at room temperature. The possible growth mechanism of CuInS{sub 2} nanorods was discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Investigation of dislocations in Nb-doped SrTiO{sub 3} by electron-beam-induced current and transmission electron microscopy

This paper aims to clarify the electrical activities of dislocations in Nb-doped SrTiO{sub 3} substrates and the role of dislocations in the resistance switching phenomenon in Pt/SrTiO{sub 3} Schottky contacts. The electrical activities of dislocations have been studied by electron-beam-induced current (EBIC) technique. EBIC has found that dislocations can exhibit dark or bright contrast depending on their character and band bending condition. The character of dislocations has been analysed based on chemical etching and transmission electron microscopy. These data suggested that not all the dislocations contribute to the switching phenomenon. The active dislocations for resistance switching were discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

miR-320 enhances the sensitivity of human colon cancer cells to chemoradiotherapy in vitro by targeting FOXM1

Highlights: • miR-320 plays a significant role in chemoresistance. • This role might be attribute to targeting FOXM1. • The Wnt/β-catenin pathway also involves in this chemotherapy sensitivity. - Abstract: miR-320 expression level is found to be down-regulated in human colon cancer. To date, however, its underlying mechanisms in the chemo-resistance remain largely unknown. In this study, we demonstrated that ectopic expression of miR-320 led to inhibit HCT-116 cell proliferation, invasion and hypersensitivity to 5-Fu and Oxaliplatin. Also, knockdown of miR-320 reversed these effects in HT-29 cells. Furthermore, we identified an oncogene, FOXM1, as a direct target of miR-320. In addition, miR-320 could inactive the activity of Wnt/β-catenin pathway. Finally, we found that miR-320 and FOXM1 protein had a negative correlation in colon cancer tissues and adjacent normal tissues. These findings implied that miR-320–FOXM1 axis may overcome chemo-resistance of colon cancer cells and provide a new therapeutic target for the treatment of colon cancer.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

An accurate potential energy surface for the F + H{sub 2} → HF + H reaction by the coupled-cluster method

A three dimensional potential energy surface for the F + H{sub 2} → HF + H reaction has been computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and perturbative quadruples [UCCSDT(2){sub Q}] using the augmented correlation-consistent polarised valence quadruple zeta basis set for the fluorine atom and the correlation-consistent polarised valence quadruple zeta basis set for the hydrogen atom. All the calculations are based on the restricted open-shell Hartree-Fock orbitals, together with the frozen core approximations, and the UCCSD(T)/complete basis set (CBS) correction term was included. The global potential energy surface was calculated by fitting the sampled ab initio points without any scaling factor for the correlation energy part using a neutral network function method. Extensive dynamics calculations have been carried out on the potential energy surface. The reaction rate constants, integral cross sections, product rotational states distribution, and forward and backward scattering as a function of collision energy of the F + HD → HF + D, F + HD → DF + H, and F + H{sub 2} reaction, were calculated by the time-independent quantum dynamics scattering theory using the new surface. The satisfactory agreement with the reported experimental observations previously demonstrates the accuracy of the new potential energy surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Both electric field and temperature independent behavior of piezoelectric property of Pb(Ni 1/3 Nb 2/3 )O 3 –PbTiO 3

The temperature stability of electromechanical properties is an important issue of major concern for the design of actuators. In this paper, temperature dependence of ferroelectric properties have been investigated in the (1 - x)Pb(Ni 1/3 Nb 2/3 )O 3– xPbTiO 3 (x = 0.30–0.38) solid solutions. Interestingly, the unipolar strain in the composition of x = 0.38 shows a good linear relationship with increasing electric field, and the large-signal d 33 is independent with increasing temperature from room temperature to 100 °C. Furthermore, it also exhibits a very high piezoelectric coefficient d 33 = 450 pC/N near the morphotropic phase boundary. All above indicates the present system of (1 - x)Pb(Ni 1/3 Nb 2/3 )O 3– xPbTiO 3 may be a kind of potential application for precisely controlling actuators.

36 MATERIALS SCIENCE↗