Method of fabricating composite structures

NASA Technical Reports Server (NTRS)

Sigur, Wanda A. (Inventor)

1992-01-01

A method of fabricating structures formed from composite materials by positioning the structure about a high coefficient of thermal expansion material, wrapping a graphite fiber overwrap about the structure, and thereafter heating the assembly to expand the high coefficient of thermal expansion material to forcibly compress the composite structure against the restraint provided by the graphite overwrap. The high coefficient of thermal expansion material is disposed about a mandrel with a release system therebetween, and with a release system between the material having the high coefficient of thermal expansion and the composite material, and between the graphite fibers and the composite structure. The heating may occur by inducing heat into the assembly by a magnetic field created by coils disposed about the assembly through which alternating current flows. The method permits structures to be formed without the use of an autoclave.

Ionization-induced annealing of pre-existing defects in silicon carbide

DOE PAGES

Zhang, Yanwen; Sachan, Ritesh; Pakarinen, Olli H.; ...

2015-08-12

A long-standing objective in materials research is to find innovative ways to remove preexisting damage and heal fabrication defects or environmentally induced defects in materials. Silicon carbide (SiC) is a fascinating wide-band gap semiconductor for high-temperature, high-power, high-frequency applications. Its high corrosion and radiation resistance makes it a key refractory/structural material with great potential for extremely harsh radiation environments. Here we show that the energy transferred to the electron system of SiC by energetic ions via inelastic ionization processes results in a highly localized thermal spike that can effectively heal preexisting defects and restore the structural order. This work revealsmore » an innovative self-healing process using highly ionizing ions, and it describes a critical aspect to be considered in modeling SiC performance as either a functional or a structural material for device applications or high-radiation environments.« less

Pressure-induced superconductivity in the iron-based ladder material BaFe2S3.

PubMed

Takahashi, Hiroki; Sugimoto, Akira; Nambu, Yusuke; Yamauchi, Touru; Hirata, Yasuyuki; Kawakami, Takateru; Avdeev, Maxim; Matsubayashi, Kazuyuki; Du, Fei; Kawashima, Chizuru; Soeda, Hideto; Nakano, Satoshi; Uwatoko, Yoshiya; Ueda, Yutaka; Sato, Taku J; Ohgushi, Kenya

2015-10-01

All the iron-based superconductors identified so far share a square lattice composed of Fe atoms as a common feature, despite having different crystal structures. In copper-based materials, the superconducting phase emerges not only in square-lattice structures but also in ladder structures. Yet iron-based superconductors without a square-lattice motif have not been found, despite being actively sought out. Here, we report the discovery of pressure-induced superconductivity in the iron-based spin-ladder material BaFe2S3, a Mott insulator with striped-type magnetic ordering below ∼120 K. On the application of pressure this compound exhibits a metal-insulator transition at about 11 GPa, followed by the appearance of superconductivity below Tc = 14 K, right after the onset of the metallic phase. Our findings indicate that iron-based ladder compounds represent promising material platforms, in particular for studying the fundamentals of iron-based superconductivity.

Examining porous bio-active glass as a potential osteo-odonto-keratoprosthetic skirt material.

PubMed

Huhtinen, Reeta; Sandeman, Susan; Rose, Susanna; Fok, Elsie; Howell, Carol; Fröberg, Linda; Moritz, Niko; Hupa, Leena; Lloyd, Andrew

2013-05-01

Bio-active glass has been developed for use as a bone substitute with strong osteo-inductive capacity and the ability to form strong bonds with soft and hard tissue. The ability of this material to enhance tissue in-growth suggests its potential use as a substitute for the dental laminate of an osteo-odonto-keratoprosthesis. A preliminary in vitro investigation of porous bio-active glass as an OOKP skirt material was carried out. Porous glass structures were manufactured from bio-active glasses 1-98 and 28-04 containing varying oxide formulation (1-98, 28-04) and particle size range (250-315 μm for 1-98 and 28-04a, 315-500 μm for 28-04b). Dissolution of the porous glass structure and its effect on pH was measured. Structural 2D and 3D analysis of porous structures were performed. Cell culture experiments were carried out to study keratocyte adhesion and the inflammatory response induced by the porous glass materials. The dissolution results suggested that the porous structure made out of 1-98 dissolves faster than the structures made from glass 28-04. pH experiments showed that the dissolution of the porous glass increased the pH of the surrounding solution. The cell culture results showed that keratocytes adhered onto the surface of each of the porous glass structures, but cell adhesion and spreading was greatest for the 98a bio-glass. Cytokine production by all porous glass samples was similar to that of the negative control indicating that the glasses do not induce a cytokine driven inflammatory response. Cell culture results support the potential use of synthetic porous bio-glass as an OOKP skirt material in terms of limited inflammatory potential and capacity to induce and support tissue ingrowth.

Thermally induced structural transitions in cotton fiber revealed by a finite mixture model of fiber tenacity distribution

USDA-ARS?s Scientific Manuscript database

Much processing of cotton fibrous materials accompanies heat treatments. Despite their critical influence on the properties of the material, the structural responses of cotton fiber to elevated temperatures remain uncertain. This study demonstrated that modeling the temperature dependence of the fib...

Evading the strength–ductility trade-off dilemma in steel through gradient hierarchical nanotwins

PubMed Central

Wei, Yujie; Li, Yongqiang; Zhu, Lianchun; Liu, Yao; Lei, Xianqi; Wang, Gang; Wu, Yanxin; Mi, Zhenli; Liu, Jiabin; Wang, Hongtao; Gao, Huajian

2014-01-01

The strength–ductility trade-off has been a long-standing dilemma in materials science. This has limited the potential of many structural materials, steels in particular. Here we report a way of enhancing the strength of twinning-induced plasticity steel at no ductility trade-off. After applying torsion to cylindrical twinning-induced plasticity steel samples to generate a gradient nanotwinned structure along the radial direction, we find that the yielding strength of the material can be doubled at no reduction in ductility. It is shown that this evasion of strength–ductility trade-off is due to the formation of a gradient hierarchical nanotwinned structure during pre-torsion and subsequent tensile deformation. A series of finite element simulations based on crystal plasticity are performed to understand why the gradient twin structure can cause strengthening and ductility retention, and how sequential torsion and tension lead to the observed hierarchical nanotwinned structure through activation of different twinning systems. PMID:24686581

The thermal and mechanical stability of composite materials for space structures

NASA Technical Reports Server (NTRS)

Tompkins, S. S.; Sykes, G. F.; Bowles, D. E.

1985-01-01

A continuing research objective of the National Aeronautical and Space Administration (NASA) is to develop advanced composite materials for space structures. The thrust of this research is to gain fundamental understanding of the performance of advanced composites in the space environment. The emphasis has been to identify and model changes in the thermal-physical properties due to induced damage and develop improved materials.

Detection of electromagnetic radiation using nonlinear materials

DOEpatents

Hwang, Harold Y.; Liu, Mengkun; Averitt, Richard D.; Nelson, Keith A.; Sternbach, Aaron; Fan, Kebin

2016-06-14

An apparatus for detecting electromagnetic radiation within a target frequency range is provided. The apparatus includes a substrate and one or more resonator structures disposed on the substrate. The substrate can be a dielectric or semiconductor material. Each of the one or more resonator structures has at least one dimension that is less than the wavelength of target electromagnetic radiation within the target frequency range, and each of the resonator structures includes at least two conductive structures separated by a spacing. Charge carriers are induced in the substrate near the spacing when the resonator structures are exposed to the target electromagnetic radiation. A measure of the change in conductivity of the substrate due to the induced charge carriers provides an indication of the presence of the target electromagnetic radiation.

Highly birefringent polymer microstructured optical fibers embedded in composite materials

NASA Astrophysics Data System (ADS)

Lesiak, P.; SzelÄ g, M.; Kuczkowski, M.; Domański, A. W.; Woliński, T. R.

2013-05-01

Composite structures are made from two or more constituent materials with significantly different physical or chemical properties and they remain separate and distinct in a macroscopic level within the finished structure. This feature allows for introducing highly birefringent polymer microstructured optical fibers into the composite material. These new fibers can consist of only two polymer materials (PMMA and PC) with similar value of the Young modulus as the composite material so any stresses induced in the composite material can be easily measured by the proposed embedded fiber optic sensors.

Enhanced tolerance to stretch-induced performance degradation of stretchable MnO2-based supercapacitors.

PubMed

Huang, Yan; Huang, Yang; Meng, Wenjun; Zhu, Minshen; Xue, Hongtao; Lee, Chun-Sing; Zhi, Chunyi

2015-02-04

The performance of many stretchable electronics, such as energy storage devices and strain sensors, is highly limited by the structural breakdown arising from the stretch imposed. In this article, we focus on a detailed study on materials matching between functional materials and their conductive substrate, as well as enhancement of the tolerance to stretch-induced performance degradation of stretchable supercapacitors, which are essential for the design of a stretchable device. It is revealed that, being widely utilized as the electrode material of the stretchable supercapacitor, metal oxides such as MnO2 nanosheets have serious strain-induced performance degradation due to their rigid structure. In comparison, with conducting polymers like a polypyrrole (PPy) film as the electrochemically active material, the performance of stretchable supercapacitors can be well preserved under strain. Therefore, a smart design is to combine PPy with MnO2 nanosheets to achieve enhanced tolerance to strain-induced performance degradation of MnO2-based supercapacitors, which is realized by fabricating an electrode of PPy-penetrated MnO2 nanosheets. The composite electrodes exhibit a remarkable enhanced tolerance to strain-induced performance degradation with well-preserved performance over 93% under strain. The detailed morphology and electrochemical impedance variations are investigated for the mechanism analyses. Our work presents a systematic investigation on the selection and matching of electrode materials for stretchable supercapacitors to achieve high performance and great tolerance to strain, which may guide the selection of functional materials and their substrate materials for the next-generation of stretchable electronics.

High-speed manufacturing of highly regular femtosecond laser-induced periodic surface structures: physical origin of regularity.

PubMed

Gnilitskyi, Iaroslav; Derrien, Thibault J-Y; Levy, Yoann; Bulgakova, Nadezhda M; Mocek, Tomáš; Orazi, Leonardo

2017-08-16

Highly regular laser-induced periodic surface structures (HR-LIPSS) have been fabricated on surfaces of Mo, steel alloy and Ti at a record processing speed on large areas and with a record regularity in the obtained sub-wavelength structures. The physical mechanisms governing LIPSS regularity are identified and linked with the decay length (i.e. the mean free path) of the excited surface electromagnetic waves (SEWs). The dispersion of the LIPSS orientation angle well correlates with the SEWs decay length: the shorter this length, the more regular are the LIPSS. A material dependent criterion for obtaining HR-LIPSS is proposed for a large variety of metallic materials. It has been found that decreasing the spot size close to the SEW decay length is a key for covering several cm 2 of material surface by HR-LIPSS in a few seconds. Theoretical predictions suggest that reducing the laser wavelength can provide the possibility of HR-LIPSS production on principally any metal. This new achievement in the unprecedented level of control over the laser-induced periodic structure formation makes this laser-writing technology to be flexible, robust and, hence, highly competitive for advanced industrial applications based on surface nanostructuring.

Structural integrity--Searching the key factor to suppress the voltage fade of Li-rich layered cathode materials through 3D X-ray imaging and spectroscopy techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Yahong; Hu, Enyuan; Yang, Feifei

Li-rich layered materials are important cathode compounds used in commercial lithium ion batteries, which, however, suffers from some drawbacks including the so-called voltage fade upon electrochemical cycling. Here, our study employs novel transmission X-ray microscopy to investigate the electrochemical reaction induced morphological and chemical changes in the Li-rich Li 2Ru 0.5Mn 0.5O 3 cathode particles at the meso to nano scale. We performed combined X-ray spectroscopy, diffraction and microscopy experiments to systematically study this cathode material's evolution upon cycling as well as to establish a comprehensive understanding of the structural origin of capacity fade through 2D and 3D fine lengthmore » scale morphology and heterogeneity change of this material. This work suggests that atomic manipulation (e.g. doping, substitution etc.) or nano engineering (e.g. nano-sizing, heterogeneous structure) are important strategies to mitigate the internal strain and defects induced by extensive lithium insertion/extraction. It also shows that maintaining the structural integrity is the key in designing and synthesizing lithium-rich layered materials with better cycle stability.« less

Structural integrity—Searching the key factor to supress the voltage fade of Li-rich layered cathode materials through 3D X-ray imaging and spectroscopy techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, Yahong; Hu, Enyuan; Yang, Feifei

Li-rich layered materials are important cathode compounds used in commercial lithium ion batteries, which, however, suffers from some drawbacks including the so-called voltage fade upon electrochemical cycling. This study employs novel transmission X-ray microscopy to investigate the electrochemical reaction induced morphological and chemical changes in the Li-rich Li 2Ru 0.5Mn 0.5O 3 cathode particles at the meso to nano scale. Combined X-ray spectroscopy, diffraction and microscopy experiments are performed to systematically study this cathode material's evolution upon cycling as well as to establish a comprehensive understanding of the structural origin of capacity fade through 2D and 3D fine length scalemore » morphology and heterogeneity change of this material. This work suggests that atomic manipulation (e.g. doping, substitution etc.) or nano engineering (e.g. nano-sizing, heterogeneous structure) are important strategies to mitigate the internal strain and defects induced by extensive lithium insertion/extraction. In conclusion, it also shows that maintaining the structural integrity is the key in designing and synthesizing lithium-rich layered materials with better cycle stability.« less

Structural integrity—Searching the key factor to supress the voltage fade of Li-rich layered cathode materials through 3D X-ray imaging and spectroscopy techniques

DOE PAGES

Xu, Yahong; Hu, Enyuan; Yang, Feifei; ...

2016-08-17

Li-rich layered materials are important cathode compounds used in commercial lithium ion batteries, which, however, suffers from some drawbacks including the so-called voltage fade upon electrochemical cycling. This study employs novel transmission X-ray microscopy to investigate the electrochemical reaction induced morphological and chemical changes in the Li-rich Li 2Ru 0.5Mn 0.5O 3 cathode particles at the meso to nano scale. Combined X-ray spectroscopy, diffraction and microscopy experiments are performed to systematically study this cathode material's evolution upon cycling as well as to establish a comprehensive understanding of the structural origin of capacity fade through 2D and 3D fine length scalemore » morphology and heterogeneity change of this material. This work suggests that atomic manipulation (e.g. doping, substitution etc.) or nano engineering (e.g. nano-sizing, heterogeneous structure) are important strategies to mitigate the internal strain and defects induced by extensive lithium insertion/extraction. In conclusion, it also shows that maintaining the structural integrity is the key in designing and synthesizing lithium-rich layered materials with better cycle stability.« less

Development and application of induced-strain actuators for building structures

NASA Astrophysics Data System (ADS)

Morita, Koichi; Fujita, Takafumi; Ise, Shiro; Kawaguchi, Ken-ichi; Kamada, Takayoshi; Fujitani, Hideo

2001-07-01

Induced strain actuator (ISA) can change their own shapes according to external electric/magnetic fields, and vice versa. Recently these materials have been widely used for the small/precision. The objectives in this study are to develop smart members for building and to realize the smart, comfortable and safe structures. The research items are 1) Semi-active isolation of structures using piezoelectric actuator, 2) Using ISA as sensor materials and 3) Improvement of Acoustic Environment. Semi-active base isolation system with controllable friction damper using piezoelectric actuators is proposed. Simulation study was carried out, and by semi-active isolation, it could be realized to reduce response displacement of the structure to 50% of values of the passive isolation. ISA materials can act as sensors because they cause change of electric or magnetic fields under deformation. PVDF sensors are suitable for membrane structures. We evaluate performance of PVDF sensors for membrane structures by experiment. Polymer based ISA films or distributed ISA devices can control vibration mode of plane members. Applications to music halls or dwelling partition walls are expected. Results of experimental studies of noise control are discussed.

Field induced gap infrared detector

NASA Technical Reports Server (NTRS)

Elliott, C. Thomas (Inventor)

1990-01-01

A tunable infrared detector which employs a vanishing band gap semimetal material provided with an induced band gap by a magnetic field to allow intrinsic semiconductor type infrared detection capabilities is disclosed. The semimetal material may thus operate as a semiconductor type detector with a wavelength sensitivity corresponding to the induced band gap in a preferred embodiment of a diode structure. Preferred semimetal materials include Hg(1-x)Cd(x)Te, x is less than 0.15, HgCdSe, BiSb, alpha-Sn, HgMgTe, HgMnTe, HgZnTe, HgMnSe, HgMgSe, and HgZnSe. The magnetic field induces a band gap in the semimetal material proportional to the strength of the magnetic field allowing tunable detection cutoff wavelengths. For an applied magnetic field from 5 to 10 tesla, the wavelength detection cutoff will be in the range of 20 to 50 micrometers for Hg(1-x)Cd(x)Te alloys with x about 0.15. A similar approach may also be employed to generate infrared energy in a desired band gap and then operating the structure in a light emitting diode or semiconductor laser type of configuration.

Thermally induced stresses and deformations in angle-ply composite tubes

NASA Technical Reports Server (NTRS)

Hyer, M. W.; Rousseau, Carl Q.

1987-01-01

Cure-induced uniform temperature change effects on the stresses, axial expansion, and thermally-induced twist of four specific angle-ply tube designs are discussed with a view to the tubes' use as major space structure components. The stresses and deformations in the tubes are studied as a function of the four designs, the off-axis angle, and the single-material and hybrid reinforcing-material construction used. It is found that tube design has a minor influence on the stresses, axial stiffness, and axial thermal expansion characteristics, which are more directly a function of off-axis angle and material selection; tube design is, however, the primary influence in the definition of thermally-induced twist and torsional stiffness characteristics. None of the designs is free of thermally induced twist.

Stress-based control of magnetic nanowire domain walls in artificial multiferroic systems

NASA Astrophysics Data System (ADS)

Dean, J.; Bryan, M. T.; Schrefl, T.; Allwood, D. A.

2011-01-01

Artificial multiferroic systems, which combine piezoelectric and piezomagnetic materials, offer novel methods of controlling material properties. Here, we use combined structural and magnetic finite element models to show how localized strains in a piezoelectric film coupled to a piezomagnetic nanowire can attract and pin magnetic domain walls. Synchronous switching of addressable contacts enables the controlled movement of pinning sites, and hence domain walls, in the nanowire without applied magnetic field or spin-polarized current, irrespective of domain wall structure. Conversely, domain wall-induced strain in the piezomagnetic material induces a local potential difference in the piezoelectric, providing a mechanism for sensing domain walls. This approach overcomes the problems in magnetic nanowire memories of domain wall structure-dependent behavior and high power consumption. Nonvolatile random access or shift register memories based on these effects can achieve storage densities >1 Gbit/In2, sub-10 ns switching times, and power consumption <100 keV per operation.

Substrate-induced phase of a [1]benzothieno[3,2-b]benzothiophene derivative and phase evolution by aging and solvent vapor annealing.

PubMed

Jones, Andrew O F; Geerts, Yves H; Karpinska, Jolanta; Kennedy, Alan R; Resel, Roland; Röthel, Christian; Ruzié, Christian; Werzer, Oliver; Sferrazza, Michele

2015-01-28

Substrate-induced phases (SIPs) are polymorphic phases that are found in thin films of a material and are different from the single crystal or "bulk" structure of a material. In this work, we investigate the presence of a SIP in the family of [1]benzothieno[3,2-b]benzothiophene (BTBT) organic semiconductors and the effect of aging and solvent vapor annealing on the film structure. Through extensive X-ray structural investigations of spin coated films, we find a SIP with a significantly different structure to that found in single crystals of the same material forms; the SIP has a herringbone motif while single crystals display layered π-π stacking. Over time, the structure of the film is found to slowly convert to the single crystal structure. Solvent vapor annealing initiates the same structural evolution process but at a greatly increased rate, and near complete conversion can be achieved in a short period of time. As properties such as charge transport capability are determined by the molecular structure, this work highlights the importance of understanding and controlling the structure of organic semiconductor films and presents a simple method to control the film structure by solvent vapor annealing.

Hinge-like structure induced unusual properties of black phosphorus and new strategies to improve the thermoelectric performance

PubMed Central

Qin, Guangzhao; Yan, Qing-Bo; Qin, Zhenzhen; Yue, Sheng-Ying; Cui, Hui-Juan; Zheng, Qing-Rong; Su, Gang

2014-01-01

We systematically investigated the geometric, electronic and thermoelectric (TE) properties of bulk black phosphorus (BP) under strain. The hinge-like structure of BP brings unusual mechanical responses such as anisotropic Young's modulus and negative Poisson's ratio. A sensitive electronic structure of BP makes it transform among metal, direct and indirect semiconductors under strain. The maximal figure of merit ZT of BP is found to be 0.72 at 800 K that could be enhanced to 0.87 by exerting an appropriate strain, revealing BP could be a potential medium-high temperature TE material. Such strain-induced enhancements of TE performance are often observed to occur at the boundary of the direct-indirect band gap transition, which can be attributed to the increase of degeneracy of energy valleys at the transition point. By comparing the structure of BP with SnSe, a family of potential TE materials with hinge-like structure are suggested. This study not only exposes various novel properties of BP under strain, but also proposes effective strategies to seek for better TE materials. PMID:25374306

Theoretical potential for low energy consumption phase change memory utilizing electrostatically-induced structural phase transitions in 2D materials

NASA Astrophysics Data System (ADS)

Rehn, Daniel A.; Li, Yao; Pop, Eric; Reed, Evan J.

2018-01-01

Structural phase-change materials are of great importance for applications in information storage devices. Thermally driven structural phase transitions are employed in phase-change memory to achieve lower programming voltages and potentially lower energy consumption than mainstream nonvolatile memory technologies. However, the waste heat generated by such thermal mechanisms is often not optimized, and could present a limiting factor to widespread use. The potential for electrostatically driven structural phase transitions has recently been predicted and subsequently reported in some two-dimensional materials, providing an athermal mechanism to dynamically control properties of these materials in a nonvolatile fashion while achieving potentially lower energy consumption. In this work, we employ DFT-based calculations to make theoretical comparisons of the energy required to drive electrostatically-induced and thermally-induced phase transitions. Determining theoretical limits in monolayer MoTe2 and thin films of Ge2Sb2Te5, we find that the energy consumption per unit volume of the electrostatically driven phase transition in monolayer MoTe2 at room temperature is 9% of the adiabatic lower limit of the thermally driven phase transition in Ge2Sb2Te5. Furthermore, experimentally reported phase change energy consumption of Ge2Sb2Te5 is 100-10,000 times larger than the adiabatic lower limit due to waste heat flow out of the material, leaving the possibility for energy consumption in monolayer MoTe2-based devices to be orders of magnitude smaller than Ge2Sb2Te5-based devices.

High-pressure-induced structural changes, amorphization and molecule penetration in MFI microporous materials: a review.

PubMed

Vezzalini, Giovanna; Arletti, Rossella; Quartieri, Simona

2014-06-01

This is a comparative study on the high-pressure behavior of microporous materials with an MFI framework type (i.e. natural mutinaite, ZSM-5 and the all-silica phase silicalite-1), based on in-situ experiments in which penetrating and non-penetrating pressure-transmitting media were used. Different pressure-induced phenomena and deformation mechanisms (e.g. pressure-induced over-hydration, pressure-induced amorphization) are discussed. The influence of framework and extra-framework composition and of the presence of silanol defects on the response to the high pressure of MFI-type zeolites is discussed.

Structural Evolution of Li xNi yMn zCo 1-y-zO 2 Cathode Materials during High-Rate Charge and Discharge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hwang, Sooyeon; Jo, Eunmi; Chung, Kyung Yoon

Ni-rich lithium transition metal oxides have received significant attention due to their high capacities and rate capabilities determined via theoretical calculations. Although the structural properties of these materials are strongly correlated with the electrochemical performance, their structural stability during the high-rate electrochemical reactions has not been fully evaluated yet. In this work, transmission electron microscopy is used to investigate the crystallographic and electronic structural modifications of Ni-based cathode materials at a high charge/discharge rate of 10 C. It is found that the high-rate electrochemical reactions induce structural inhomogeneity near the surface of Ni-rich cathode materials, which limits Li transport andmore » reduces their capacities. Furthermore, this study establishes a correlation between the high-rate electrochemical performance of the Ni-based materials and their structural evolution, which can provide profound insights for designing novel cathode materials having both high energy and power densities.« less

Structural Evolution of Li xNi yMn zCo 1-y-zO 2 Cathode Materials during High-Rate Charge and Discharge

DOE PAGES

Hwang, Sooyeon; Jo, Eunmi; Chung, Kyung Yoon; ...

2017-11-08

Ni-rich lithium transition metal oxides have received significant attention due to their high capacities and rate capabilities determined via theoretical calculations. Although the structural properties of these materials are strongly correlated with the electrochemical performance, their structural stability during the high-rate electrochemical reactions has not been fully evaluated yet. In this work, transmission electron microscopy is used to investigate the crystallographic and electronic structural modifications of Ni-based cathode materials at a high charge/discharge rate of 10 C. It is found that the high-rate electrochemical reactions induce structural inhomogeneity near the surface of Ni-rich cathode materials, which limits Li transport andmore » reduces their capacities. Furthermore, this study establishes a correlation between the high-rate electrochemical performance of the Ni-based materials and their structural evolution, which can provide profound insights for designing novel cathode materials having both high energy and power densities.« less

Microstructure Evolution and Mechanical Response of Nanolaminate Composites Irradiated with Helium at Elevated Temperatures

DOE PAGES

Li, Nan; Demkowicz, Michael J.; Mara, Nathan A.

2017-09-12

In this paper, we summarize recent work on helium (He) interaction with various heterophase boundaries under high temperature irradiation. We categorize the ion-affected material beneath the He-implanted surface into three regions of depth, based on the He/vacancy ratio. The differing defect structures in these three regions lead to the distinct temperature sensitivity of He-induced microstructure evolution. The effect of He bubbles or voids on material mechanical performance is explored. Finally, overall design guidelines for developing materials where He-induced damage can be mitigated in materials are discussed.

Influence of the composite material thermal expansion on embedded highly birefringent polymer microstructured optical fibers

NASA Astrophysics Data System (ADS)

SzelÄ g, M.; Lesiak, P.; Kuczkowski, M.; Domański, A. W.; Woliński, T. R.

2013-05-01

Results of our research on embedded highly birefringent polymer microstructured fibers are presented. A composite material sample with fibers embedded between two layers of a multi-layer composite structure is fabricated and characterized. Temperature sensitivities of the polymer fibers are measured in a free space and compared with the fibers embedded in the composite material. It appeared that highly birefringent polymer microstructured fibers exhibit a strong increase in temperature sensitivity when embedded in the composite material, which is due to the stress-induced changes in birefringence created by thermally-induced strain.

Pressure induced structural transitions in CuSbS 2 and CuSbSe 2 thermoelectric compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baker, Jason; Kumar, Ravhi S.; Sneed, Daniel

Here, we investigate the structural behavior of CuSbS 2 and CuSbSe 2 thermoelectric materials under high pressure conditions up to 80 GPa using angle dispersive X-ray diffraction in a diamond anvil cell (DAC). We also perform high pressure Raman spectroscopy measurements up to 16 GPa. We observed a pressure-induced structural transformation from the ambient orthorhombic structure with space group Pnma to a triclinic type structure with space group P1 beginning around 8 GPa in both samples and completing at 13 GPa and 10 GPa in CuSbS 2 and CuSbSe 2, respectively. High pressure Raman experiments complement the transitions observed bymore » high pressure X-ray diffraction (HPXRD). Finally, the transitions were found to be reversible on releasing the pressure to ambient in the DAC. The bulk modulus and compressibility of these materials are further discussed.« less

Pressure induced structural transitions in CuSbS 2 and CuSbSe 2 thermoelectric compounds

DOE PAGES

Baker, Jason; Kumar, Ravhi S.; Sneed, Daniel; ...

2015-04-27

Here, we investigate the structural behavior of CuSbS 2 and CuSbSe 2 thermoelectric materials under high pressure conditions up to 80 GPa using angle dispersive X-ray diffraction in a diamond anvil cell (DAC). We also perform high pressure Raman spectroscopy measurements up to 16 GPa. We observed a pressure-induced structural transformation from the ambient orthorhombic structure with space group Pnma to a triclinic type structure with space group P1 beginning around 8 GPa in both samples and completing at 13 GPa and 10 GPa in CuSbS 2 and CuSbSe 2, respectively. High pressure Raman experiments complement the transitions observed bymore » high pressure X-ray diffraction (HPXRD). Finally, the transitions were found to be reversible on releasing the pressure to ambient in the DAC. The bulk modulus and compressibility of these materials are further discussed.« less

Fabrication of magnetic field induced structural colored films with tunable colors and its application on security materials.

PubMed

Shang, Shenglong; Zhang, Qinghong; Wang, Hongzhi; Li, Yaogang

2017-01-01

A flexible, magnetic field induced structurally colored films with brilliant colors and high physical rigidity were reported in this article. Using an external magnetic field, the photocurable colloidal suspensions that containing superparamagnetic Fe 3 O 4 @C colloidal nanocrystal clusters (CNCs) could polymerize under UV light. After polymerization, the films with different colors (red, green, blue) were obtained. Through combination of suspensions which contains Fe 3 O 4 @C CNCs with different sizes, a series of multi-colored films were obtained. Moreover, these structural colors can be patterned easily by photolithography and various structural colored patterns were shown in the article. The structural colored patterns could conceal or display its color according to the changing of background which makes them hold significant potential applications for security materials. Copyright © 2016 Elsevier Inc. All rights reserved.

Characterization of ion-induced radiation effects in nuclear materials using synchrotron x-ray techniques

DOE PAGES

Lang, Maik; Tracy, Cameron L.; Palomares, Raul I.; ...

2015-05-01

Recent efforts to characterize the nanoscale structural and chemical modifications induced by energetic ion irradiation in nuclear materials have greatly benefited from the application of synchrotron-based x-ray diffraction (XRD) and x-ray absorption spectroscopy (XAS) techniques. Key to the study of actinide-bearing materials has been the use of small sample volumes, which are particularly advantageous, as the small quantities minimize the level of radiation exposure at the ion-beam and synchrotron user facility. This approach utilizes energetic heavy ions (energy range: 100 MeV–3 GeV) that pass completely through the sample thickness and deposit an almost constant energy per unit length along theirmore » trajectory. High energy x-rays (25–65 keV) from intense synchrotron light sources are then used in transmission geometry to analyze ion-induced structural and chemical modifications throughout the ion tracks. We describe in detail the experimental approach for utilizing synchrotron radiation (SR) to study the radiation response of a range of nuclear materials (e.g., ThO 2 and Gd 2Ti xZr 2–xO 7). Also addressed is the use of high-pressure techniques, such as the heatable diamond anvil cell, as a new means to expose irradiated materials to well-controlled high-temperature (up to 1000 °C) and/or high-pressure (up to 50 GPa) conditions. Furthermore, this is particularly useful for characterizing the annealing kinetics of irradiation-induced material modifications.« less

Double differential light charged particle emission cross sections for some structural fusion materials

NASA Astrophysics Data System (ADS)

Sarpün, Ismail Hakki; n, Abdullah Aydı; Tel, Eyyup

2017-09-01

In fusion reactors, neutron induced radioactivity strongly depends on the irradiated material. So, a proper selection of structural materials will have been limited the radioactive inventory in a fusion reactor. First-wall and blanket components have high radioactivity concentration due to being the most flux-exposed structures. The main objective of fusion structural material research is the development and selection of materials for reactor components with good thermo-mechanical and physical properties, coupled with low-activation characteristics. Double differential light charged particle emission cross section, which is a fundamental data to determine nuclear heating and material damages in structural fusion material research, for some elements target nuclei have been calculated by the TALYS 1.8 nuclear reaction code at 14-15 MeV neutron incident energy and compared with available experimental data in EXFOR library. Direct, compound and pre-equilibrium reaction contribution have been theoretically calculated and dominant contribution have been determined for each emission of proton, deuteron and alpha particle.

Nature-Inspired Structural Materials for Flexible Electronic Devices.

PubMed

Liu, Yaqing; He, Ke; Chen, Geng; Leow, Wan Ru; Chen, Xiaodong

2017-10-25

Exciting advancements have been made in the field of flexible electronic devices in the last two decades and will certainly lead to a revolution in peoples' lives in the future. However, because of the poor sustainability of the active materials in complex stress environments, new requirements have been adopted for the construction of flexible devices. Thus, hierarchical architectures in natural materials, which have developed various environment-adapted structures and materials through natural selection, can serve as guides to solve the limitations of materials and engineering techniques. This review covers the smart designs of structural materials inspired by natural materials and their utility in the construction of flexible devices. First, we summarize structural materials that accommodate mechanical deformations, which is the fundamental requirement for flexible devices to work properly in complex environments. Second, we discuss the functionalities of flexible devices induced by nature-inspired structural materials, including mechanical sensing, energy harvesting, physically interacting, and so on. Finally, we provide a perspective on newly developed structural materials and their potential applications in future flexible devices, as well as frontier strategies for biomimetic functions. These analyses and summaries are valuable for a systematic understanding of structural materials in electronic devices and will serve as inspirations for smart designs in flexible electronics.

Modification of transparent materials with ultrashort laser pulses: What is energetically and mechanically meaningful?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bulgakova, Nadezhda M., E-mail: nadezhda.bulgakova@hilase.cz; Institute of Thermophysics SB RAS, 1 Lavrentyev Ave., 630090 Novosibirsk; Zhukov, Vladimir P.

A comprehensive analysis of laser-induced modification of bulk glass by single ultrashort laser pulses is presented which is based on combination of optical Maxwell-based modeling with thermoelastoplastic simulations of post-irradiation behavior of matter. A controversial question on free electron density generated inside bulk glass by ultrashort laser pulses in modification regimes is addressed on energy balance grounds. Spatiotemporal dynamics of laser beam propagation in fused silica have been elucidated for the regimes used for direct laser writing in bulk glass. 3D thermoelastoplastic modeling of material relocation dynamics under laser-induced stresses has been performed up to the microsecond timescale when allmore » motions in the material decay. The final modification structure is found to be imprinted into material matrix already at sub-nanosecond timescale. Modeling results agree well with available experimental data on laser light transmission through the sample and the final modification structure.« less

Pressure induced swelling in microporous materials

DOEpatents

Vogt, Thomas; Hriljac, Joseph A.; Lee, Yongjae

2006-07-11

A method for capturing specified materials which includes contacting a microporous material with a hydrostatic fluid having at least one specified material carried therein, under pressure which structurally distorts the lattice sufficiently to permit entry of the at least one specified material. The microporous material is capable of undergoing a temporary structural distortion which alters resting lattice dimensions under increased ambient pressure and at least partially returning to rest lattice dimensions when returned to ambient pressure. The pressure of the fluid is then reduced to permit return to at least partial resting lattice dimension while the at least one specified material is therein. By this method, at least one specified material is captured in the microporous material to form a modified microporous material.

Pump-probe imaging of laser-induced periodic surface structures after ultrafast irradiation of Si

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murphy, Ryan D.; Torralva, Ben; Adams, David P.

2013-09-30

Ultrafast pump-probe microscopy has been used to investigate laser-induced periodic surface structure (LIPSS) formation on polished Si surfaces. A crater forms on the surface after irradiation by a 150 fs laser pulse, and a second, subsequent pulse forms LIPSS within the crater. Sequentially delayed images show that LIPSS with a periodicity slightly less than the fundamental laser wavelength of 780 nm appear on Si surfaces ∼50 ps after arrival of the second pump laser pulse, well after the onset of melting. LIPSS are observed on the same timescale as material removal, suggesting that their formation involves material ejection.

Microfluidic device and methods for focusing fluid streams using electroosmotically induced pressures

DOEpatents

Jacobson, Stephen C.; Ramsey, J. Michael

2010-06-01

A microfabricated device employing a bridging membrane and methods for electrokinetic transport of a liquid phase biological or chemical material using the same are described. The bridging membrane is deployed in or adjacent to a microchannel and permits either electric current flow or the transport of gas species, while inhibiting the bulk flow of material. The use of bridging membranes in accordance with this invention is applicable to electrokinetically inducing fluid flow to confine a selected material in a region of a microchannel that is not influenced by an electric field. Other structures for inducing fluid flow in accordance with this invention include nanochannel bridging membranes and alternating current fluid pumping devices. Applications of the bridging membranes according to this invention include the separation of species from a sample material, valving of fluids in a microchannel network, mixing of different materials in a microchannel, and the pumping of fluids.

Optimizing Neutron Thermal Scattering Effects in very High Temperature Reactors. Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hawari, Ayman; Ougouag, Abderrafi

2014-07-08

This project aims to develop a holistic understanding of the phenomenon of neutron thermalization in the VHTR. Neutron thermalization is dependent on the type and structure of the moderating material. The fact that the moderator (and reflector) in the VHTR is a solid material will introduce new and interesting considerations that do not apply in other (e.g. light water) reactors. The moderator structure is expected to undergo radiation induced changes as the irradiation (or burnup) history progresses. In this case, the induced changes in structure will have a direct impact on many properties including the neutronic behavior. This can bemore » easily anticipated if one recognizes the dependence of neutron thermalization on the scattering law of the moderator. For the pebble bed reactor, it is anticipated that the moderating behavior can be tailored, e.g. using moderators that consist of composite materials, which could allow improved optimization of the moderator-to-fuel ratio.« less

Group-theoretical analysis of two-dimensional hexagonal materials

NASA Astrophysics Data System (ADS)

Minami, Susumu; Sugita, Itaru; Tomita, Ryosuke; Oshima, Hiroyuki; Saito, Mineo

2017-10-01

Two-dimensional hexagonal materials such as graphene and silicene have highly symmetric crystal structures and Dirac cones at the K point, which induce novel electronic properties. In this report, we calculate their electronic structures by using density functional theory and analyze their band structures on the basis of the group theory. Dirac cones frequently appear when the symmetry at the K point is high; thus, two-dimensional irreducible representations are included. We discuss the relationship between symmetry and the appearance of the Dirac cone.

Investigation of the Structural Stability of Ion-Implanted Gd 2Ti 2-xSn xO 7 Pyrochlore-Type Oxides by Glancing Angle X-ray Absorption Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aluri, Esther Rani; Hayes, John R.; Walker, James D.S.

2016-03-24

Rare-earth titanate and stannate pyrochlore-type oxides have been investigated in the past for the sequestration of nuclear waste elements because of their resistance to radiation-induced structural damage. In order to enhance this property, it is necessary to understand the effect of radioactive decay of the incorporated actinide elements on the local chemical environment. In this study, Gd 2Ti 2–xSn xO 7 materials have been implanted with Au– ions to simulate radiation-induced structural damage. Glancing angle X-ray absorption near-edge spectroscopy (GA-XANES), glancing angle X-ray absorption fine structure (GA-EXAFS) analysis, and powder X-ray diffraction have been used to investigate changes in themore » local coordination environment of the metal atoms in the damaged surface layer. Examination of GA-XANES/EXAFS spectra from the implanted Gd 2Ti 2–xSn xO 7 materials collected at various glancing angles allowed for an investigation of how the local coordination environment around the absorbing atoms changed at different depths in the damaged surface layer. This study has shown the usefulness of GA-XANES to the examination of ion-implanted materials and has suggested that Gd 2Ti 2–xSn xO 7 becomes more susceptible to ion-beam-induced structural damage with increasing Sn concentration.« less

Crew Launch Vehicle Mobile Launcher Solid Rocket Motor Plume Induced Environment

NASA Technical Reports Server (NTRS)

Vu, Bruce T.; Sulyma, Peter

2008-01-01

The plume-induced environment created by the Ares 1 first stage, five-segment reusable solid rocket motor (RSRMV) will impose high heating rates and impact pressures on Launch Complex 39. The extremes of these environments pose a potential threat to weaken or even cause structural components to fail if insufficiently designed. Therefore the ability to accurately predict these environments is critical to assist in specifying structural design requirements to insure overall structural integrity and flight safety. This paper presents the predicted thermal and pressure environments induced by the launch of the Crew Launch Vehicle (CLV) from Launch Complex (LC) 39. Once the environments are predicted, a follow-on thermal analysis is required to determine the surface temperature response and the degradation rate of the materials. An example of structures responding to the plume-induced environment will be provided.

Intelligent biointerface: remote control for hydrophilic-hydrophobic property of the material surfaces by temperature

NASA Astrophysics Data System (ADS)

Okano, Teruo; Kikuchi, Akihiko

1996-04-01

Considerable research attention has been focused recently on materials which change their structure and properties in response to external stimuli. These materials, termed `intelligent materials', sense a stimulus as a signal (sensor function), judge the magnitude of this signal (processor function), and then alter their function in direct response (effector function). Introduction of stimuli-responsive polymers as switching sequences into both artificial materials and bioactive molecules would permit external, stimuli-induced modulation of their structures and `on-off' switching of their respective functions at molecular levels. Intelligent materials embodying these concepts would contribute to the establishment of basic principles for fabricating novel systems which modulate their structural changes and functional changes in response to external stimuli. These materials are attractive not only as new, sophisticated biomaterials but also for utilization in protein biotechnology, medical diagnosis and advanced site-specific drug delivery system.

Advanced low-activation materials. Fibre-reinforced ceramic composites

NASA Astrophysics Data System (ADS)

Fenici, P.; Scholz, H. W.

1994-09-01

A serious safety and environmental concern for thermonuclear fusion reactor development regards the induced radioactivity of the first wall and structural components. The use of low-activation materials (LAM) in a demonstration reactor would reduce considerably its potential risk and facilitate its maintenance. Moreover, decommissioning and waste management including disposal or even recycling of structural materials would be simplified. Ceramic fibre-reinforced SiC materials offer highly appreciable low activation characteristics in combination with good thermomechanical properties. This class of materials is now under experimental investigation for structural application in future fusion reactors. An overview on the recent results is given, covering coolant leak rates, thermophysical properties, compatibility with tritium breeder materials, irradiation effects, and LAM-consistent purity. SiC/SiC materials present characteristics likely to be optimised in order to meet the fusion application challenge. The scope is to put into practice the enormous potential of inherent safety with fusion energy.

Frost induced damages within porous materials - from concrete technology to fuel cells technique

NASA Astrophysics Data System (ADS)

Palecki, Susanne; Gorelkov, Stanislav; Wartmann, Jens; Heinzel, Angelika

2017-12-01

Porous media like concrete or layers of membrane electrode assemblies (MEA) within fuel cells are affected by a cyclic frost exposure due to different damage mechanisms which could lead to essential degradation of the material. In general, frost damages can only occur in case of a specific material moisture content. In fuel cells, residual water is generally available after shut down inside the membrane i.e. the gas diffusion layer (GDL). During subsequent freezing, this could cause various damage phenomena such as frost heaves and delamination effects of the membrane electrode assembly, which depends on the location of pore water and on the pore structure itself. Porous materials possess a pore structure that could range over several orders of magnitudes with different properties and freezing behaviour of the pore water. Latter can be divided into macroscopic, structured and pre-structured water, influenced by surface interactions. Therefore below 0 °C different water modifications can coexist in a wide temperature range, so that during frost exposure a high amount of unfrozen and moveable water inside the pore system is still available. This induces transport mechanisms and shrinkage effects. The physical basics are similar for porous media. While the freezing behaviour of concrete has been studied over decades of years, in order to enhance the durability, the know-how about the influence of a frost attack on fuel cell systems is not fully understood to date. On the basis of frost damage models for concrete structures, an approach to describe the impact of cyclic freezing and thawing on membrane electrode assemblies has been developed within this research work. Major aim is beyond a better understanding of the frost induced mechanisms, the standardization of a suitable test procedure for the assessment of different MEA materials under such kind of attack. Within this contribution first results will be introduced.

EDITORIAL Light-induced material organization Light-induced material organization

NASA Astrophysics Data System (ADS)

Vainos, Nikos; Rode, Andrei V.

2010-12-01

Light-induced material organization extends over a broad area of research, from photon momentum transfer to atoms, molecules and particles, serving the basis for optical trapping, and expands into the laser-induced changes of material properties through photopolymerization, photodarkening, and materials ablation. Relevant phenomena are observed over many orders of magnitude of light intensity, from a few kW cm-2 for the optical trapping of living cells to 1014 W cm-2 encountered in femtosecond laser micromachining and micro-explosion. Relevant interactions reveal a rich palette of novel phenomena in the solid state, from subtle excitations and material organization to phase transformations, non-equilibrium and transient states. The laser-induced material modifications relate to changes in the crystal structure and the molecular bonding, phase transitions in liquid state, ablation and plasma production associated with extreme pressure and temperature conditions towards entirely new states of matter. The underlying physical mechanisms form the foundations for micro-engineering photonic and other functional devices and lead the way to relevant applications. At the same time, they hold the potential for creating non-equilibrium material states and a range of fundamentally new products not available by other means. The fundamental understanding of both materials nature and functional behaviour will ultimately yield novel devices and improved performance in several fields. The far reaching goals of these studies relate to the development of new methods and technologies for micro- and nano-fabrication, not only offering a significant reduction of cost, but also expanding the fabrication capabilities into unexplored areas of biophotonics and nanotechnology. This special issue of Journal of Optics presents some very recent and exciting advances in the field of materials manipulation by laser beams, aiming to underline its current trends. In optical trapping research we would like to attract the reader's attention to a curious way in which the laser beam architecture allows light modes to deviate from linear propagation (Morris et al). Laser speckle fields act as an array of potential wells that simultaneously trap thousands of particles in air (Shvedov et al). A new study of spatial light modulators (SLMs) offers a viable and flexible holographic tweezers tool (Bowman et al), demonstrating a dual role of wavefront sensing and corrective performance in a closed-loop adaptive optics system. A new concept for reordering birefringent liquid crystal media has been introduced and discussed (Brasselet). This new approach is based on the spatially modulated optical dielectric torque density arising from the inherent longitudinal component of the electric field of any laser beam. The dynamics of the optical response of a liquid crystal infiltrated photonic structure has been considered by Miroshnichenko et al, concluding that the mechanical effect of light on the orientational ordering of the crystalline axis can be used to control the dynamics of the optical response of such photonic structures. An intriguing result on structural changes in fused silica induced by powerful femtosecond laser pulses in confined geometry is presented in a paper by Juodkazis et al. The results of x-ray diffraction from the laser-modified material indicate a possibility for phase separation, but the physical mechanism is still unclear. At low power, electric-field-assisted hologram recording in chalcogenide thin films yields improved diffraction efficiency, even in ultrathin films (Vlaeva et al). A comprehensive review of recent advances in multiphoton polymerization in hybrid materials with femtosecond laser pulses (Farsari et al) is supplemented by a number of new results in multiphoton polymerization for photonic band gap structures and micro-engineering applications. Microreplication methods are complementing such approaches with produced objects extending the horizons to production processing (Koroleva et al). The use of femtosecond lasers enables polymerization for flexible production of micro-optics and integrated optics (Malinauskas et al). Laser beams of moderate intensity are used to create surface relief patterning in polymer and hybrid matter (Babeva et al) while the use of optimized acrylamide photopolymers results in submicron holographic structures (Trainer et al). In a different concept, the application of laser radiation forces in soft polymer matter offers intriguing, yet unexplored, means for the organization of dense structures and filaments in polymer solutes, pointing to nonlinear optical applications (Anyfantakis et al). Finally, high laser intensities are used for the processing of soft polymer and hybrid matter. In the two modes of operation available, laser-induced forward transfer of polymers is a promising alternative for the creation of controlled structures (Palla-Papavlu et al), while ablative structuring creates interfaces with enhanced properties by excimer laser irradiation at the deep ultraviolet 193 nm and 157 nm wavelengths (Athanasekos et al). Such methods provide flexible tools for the fabrication of optimized photonic sensor structures based on hybrid nanocomposites incorporating diffractive optic interfaces, a technology enabling the recent advent of remote point sensing of chemical and physical agents by light (Vasileiades et al). A substantial part of this work has been supported in the framework of COST MP0604 Action `Optical Micro-Manipulation by Nonlinear Nanophotonics' of the European Science Foundation. We are confident that this collection of papers on light-induced material organization will guide the reader in this emerging field, inspire the interested scientific community and stimulate further research and innovation in this exciting and growing field.

Bill McMahon | NREL

Science.gov Websites

career at NREL in 1995 by conducting scanning tunneling microscope (STM) studies of the atomic structure revealed a new strain-induced step structure and contributed to the development of world-record-efficiency NREL's Computational Materials Science team, probing the atomic structure of dislocations in III-V

Microscopic Mechanism of Doping-Induced Kinetically Constrained Crystallization in Phase-Change Materials.

PubMed

Lee, Tae Hoon; Loke, Desmond; Elliott, Stephen R

2015-10-07

A comprehensive microscopic mechanism of doping-induced kinetically constrained crystallization in phase-change materials is provided by investigating structural and dynamical dopant characteristics via ab initio molecular dynamics simulations. The information gained from this study may provide a basis for a fast screening of dopant species for electronic memory devices, or for understanding the general physics involved in the crystallization of doped glasses. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Recent advances on the understanding of structural and composition evolution of LMR cathodes for Li-ion batteries

DOE PAGES

Yan, Pengfei; Zheng, Jianming; Xiao, Jie; ...

2015-06-08

Lithium-rich, magnesium-rich (LMR) cathode materials have been regarded as one of the very promising cathodes for Li-ion battery applications. However, their practical application is still limited by several challenges, especially by their limited electrochemical stability rate capability. In this work, we present recent progresses on the understanding of the structural and composition evolution of LMR cathode materials with emphasis being placed on the correlation between structural/chemical evolution and electrochemical properties. In particular, using Li [Li 0.2Ni 0.2Mn 0.6O 2 as a typical example, we clearly illustrate the structural characteristics of the pristine materials and their dependence on the materials processingmore » history, cycling induced structural degradation/chemical partition and their correlation with degradation of electrochemical performance. The fundamental understanding obtained in this work may also guide the design and preparation of new cathode materials based on ternary system of transitional metal oxide.« less

Polymer-Silica Nanocomposites: A Versatile Platform for Multifunctional Materials

NASA Astrophysics Data System (ADS)

Chiu, Chi-Kai

Solution sol-gel synthesis is a versatile approach to create polymer-silica nanocomposite materials. The solution-to-solid transformation results in a solid consisting of interconnected nanoporous structure in 3D space, making it the ideal material for filtration, encapsulation, optics, electronics, drug release, and biomaterials, etc. Although the pore between nano and meso size may be tunable using different reaction conditions, the intrinsic properties such as limited diffusion within pore structure, complicated interfacial interactions at the pore surfaces, shrinkage and stress-induced cracking and brittleness have limited the applications of this material. To overcome these problems, diffusion, pore size, shrinkage and stress-induced defects need further investigation. Thus, the presented thesis will address these important questions such as whether these limitations can be utilized as the novel method to create new materials and lead to new applications. First, the behaviors of polymers such as poly(ethylene glycol) inside the silica pores are examined by studying the nucleation and growth of AgCl at the surface of the porous matrix. The pore structure and the pressure induced by the shrinkage affect have been found to induce the growth of AgCl nanocrystals. When the same process is carried out at 160 °C, silver metallization is possible. Due to the shrinkage-induced stresses, the polymer tends to move into open crack spaces and exterior surfaces, forming interconnected silver structure. This interconnected silver structure is very unique because its density is not related to the size scale of nanopore structures. These findings suggest that it is possible to utilize defect surface of silica material as the template to create interconnected silver structure. When the scale is small, polymer may no longer be needed if the diffusion length of Ag is more than the size of silica particles. To validate our assumption, monoliths of sol-gel sample containing AgNO3 was ground into two different sizes of powder followed by powder pressing, heat-treating and etching. A new robust porous silver foam was then successfully made. By combining the results from room temperature and high temperature processes, we further study the patterned silver nanoparticles arrays in order to examine how mobility of silver can be controlled on a quantifiable scale. Furthermore, we have identified a thiolcontaining sol-gel precursor to control the affinity between silver and silica matrix. Lastly, the effects of interfacial interactions between sol-gel silica and other nanocomposite components and the effect of thickness of the sol-gel layer on mechanical properties were investigated. These studies were applied to the biomimetic hydroxyapatite-gelatin system. We have found that by limiting the thickness while maintaining interfacial interactions of the sol-gel layer, a unique moldable property and short hardening time from these nanocomposites can be achieved without compromising its biocompatibility. Their biocompatibility has been proven based on the in vitro and in vivo testing of these materials. In conclusion, the present study has demonstrated that polymer-silica nanocomposite is a versatile platform to carry out applications in nanocrystal growth, nanoporous metals, metal-ceramic composites, nano-imprint thin film, and bone grafts. These important findings not only provide new insights into nanocomposites but also give new meanings to the previously functional-limited sol-gel materials.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Efthimiopoulos, I.; Tsurkan, V.; Loidl, A.

We have conducted high-pressure measurements on the CuCr2O4 and CuCr2Se4 spinels to unravel the structural systematics of these materials under compression. Our studies have revealed diverse structural behavior in these two compounds. In particular, CuCr2O4 retains its ambient-pressure I41/amd structure up to 50 GPa. Close inspection of the lattice and interatomic parameters reveals a compressibility change near 23 GPa, which is accompanied by an expansion of the apical Cr–O bond distances. We speculate that an outer Cr3+ 3d orbital reorientation might be at play in this system, manifesting as the change in compressibility at that pressure point. On the othermore » hand, CuCr2Se4 undergoes a structural transformation from the starting Fd3¯m phase toward a monoclinic structure initiated at ~8 GPa and completed at ~20 GPa. This high-pressure behavior resembles that of ZnCr2Se4, and it appears that, unlike similar chalcogenide Cr spinels, steric effects take a leading role in this pressure-induced Fd3¯m → monoclinic transition. Close comparison of our results with the reported literature yields significant insights behind the pressure-induced structural systematics of this important family of materials, thus both allowing for the careful manipulation of the structural/physical properties of these systems by strain and promoting our understanding of similar pressure-induced effects in relevant systems.« less

3D Printing of Lotus Root-Like Biomimetic Materials for Cell Delivery and Tissue Regeneration.

PubMed

Feng, Chun; Zhang, Wenjie; Deng, Cuijun; Li, Guanglong; Chang, Jiang; Zhang, Zhiyuan; Jiang, Xinquan; Wu, Chengtie

2017-12-01

Biomimetic materials have drawn more and more attention in recent years. Regeneration of large bone defects is still a major clinical challenge. In addition, vascularization plays an important role in the process of large bone regeneration and microchannel structure can induce endothelial cells to form rudimentary vasculature. In recent years, 3D printing scaffolds are major materials for large bone defect repair. However, these traditional 3D scaffolds have low porosity and nonchannel structure, which impede angiogenesis and osteogenesis. In this study, inspired by the microstructure of natural plant lotus root, biomimetic materials with lotus root-like structures are successfully prepared via a modified 3D printing strategy. Compared with traditional 3D materials, these biomimetic materials can significantly improve in vitro cell attachment and proliferation as well as promote in vivo osteogenesis, indicating potential application for cell delivery and bone regeneration.

3D Printing of Lotus Root‐Like Biomimetic Materials for Cell Delivery and Tissue Regeneration

PubMed Central

Feng, Chun; Zhang, Wenjie; Deng, Cuijun; Li, Guanglong; Chang, Jiang; Zhang, Zhiyuan

2017-01-01

Abstract Biomimetic materials have drawn more and more attention in recent years. Regeneration of large bone defects is still a major clinical challenge. In addition, vascularization plays an important role in the process of large bone regeneration and microchannel structure can induce endothelial cells to form rudimentary vasculature. In recent years, 3D printing scaffolds are major materials for large bone defect repair. However, these traditional 3D scaffolds have low porosity and nonchannel structure, which impede angiogenesis and osteogenesis. In this study, inspired by the microstructure of natural plant lotus root, biomimetic materials with lotus root‐like structures are successfully prepared via a modified 3D printing strategy. Compared with traditional 3D materials, these biomimetic materials can significantly improve in vitro cell attachment and proliferation as well as promote in vivo osteogenesis, indicating potential application for cell delivery and bone regeneration. PMID:29270348

Structure and superconductivity in (Bi(0.35)Cu(0.65))Sr2YCu2O7 and related materials

NASA Technical Reports Server (NTRS)

Jennings, R. A.; Williams, S. P.; Greaves, C.

1995-01-01

The recently reported (Bi/Cu)Sr2YCu2O7 phase has been studied by time of flight powder neutron diffraction. The proposed 1212 structure has been confirmed and refinements have shown the oxygen in the (Bi/Cu)O layer is displaced by 0.78 A from the ideal (1/2,1/2,0) site (P4/mmm space group) along /100/. Bond Valence Sum calculations have suggested oxidation states of Bi(5+) and Cu(2+) for the cations in the (Bi/Cu)O layers. The material is non-superconducting and all attempts to induce superconductivity have been unsuccessful. Work on the related material (Ce/Cu)Sr2YCu2O7 has shown the ideal Ce content to be 0.5 Ce per formula unit. The introduction of Ba (10%) onto the Sr site dramatically increases phase stability and also induces superconductivity (62 K).

Mechanics based model for predicting structure-induced rolling resistance (SRR) of the tire-pavement system

NASA Astrophysics Data System (ADS)

Shakiba, Maryam; Ozer, Hasan; Ziyadi, Mojtaba; Al-Qadi, Imad L.

2016-11-01

The structure-induced rolling resistance of pavements, and its impact on vehicle fuel consumption, is investigated in this study. The structural response of pavement causes additional rolling resistance and fuel consumption of vehicles through deformation of pavement and various dissipation mechanisms associated with inelastic material properties and damping. Accurate and computationally efficient models are required to capture these mechanisms and obtain realistic estimates of changes in vehicle fuel consumption. Two mechanistic-based approaches are currently used to calculate vehicle fuel consumption as related to structural rolling resistance: dissipation-induced and deflection-induced methods. The deflection-induced approach is adopted in this study, and realistic representation of pavement-vehicle interactions (PVIs) is incorporated. In addition to considering viscoelastic behavior of asphalt concrete layers, the realistic representation of PVIs in this study includes non-uniform three-dimensional tire contact stresses and dynamic analysis in pavement simulations. The effects of analysis type, tire contact stresses, pavement viscoelastic properties, pavement damping coefficients, vehicle speed, and pavement temperature are then investigated.

Microstructure and Property Evolution in Advanced Cladding and Duct Materials Under Long-Term and Elevated Temperature Irradiation: Modeling and Experimental Investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wirth, Brian; Morgan, Dane; Kaoumi, Djamel

2013-12-01

The in-service degradation of reactor core materials is related to underlying changes in the irradiated microstructure. During reactor operation, structural components and cladding experience displacement of atoms by collisions with neutrons at temperatures at which the radiation-induced defects are mobile, leading to microstructure evolution under irradiation that can degrade material properties. At the doses and temperatures relevant to fast reactor operation, the microstructure evolves by dislocation loop formation and growth, microchemistry changes due to radiation-induced segregation, radiation-induced precipitation, destabilization of the existing precipitate structure, and in some cases, void formation and growth. These processes do not occur independently; rather, theirmore » evolution is highly interlinked. Radiationinduced segregation of Cr and existing chromium carbide coverage in irradiated alloy T91 track each other closely. The radiation-induced precipitation of Ni-Si precipitates and RIS of Ni and Si in alloys T91 and HCM12A are likely related. Neither the evolution of these processes nor their coupling is understood under the conditions required for materials performance in fast reactors (temperature range 300-600°C and doses beyond 200 dpa). Further, predictive modeling is not yet possible as models for microstructure evolution must be developed along with experiments to characterize these key processes and provide tools for extrapolation. To extend the range of operation of nuclear fuel cladding and structural materials in advanced nuclear energy and transmutation systems to that required for the fast reactor, the irradiation-induced evolution of the microstructure, microchemistry, and the associated mechanical properties at relevant temperatures and doses must be understood. Predictive modeling relies on an understanding of the physical processes and also on the development of microstructure and microchemical models to describe their evolution under irradiation. This project will focus on modeling microstructural and microchemical evolution of irradiated alloys by performing detailed modeling of such microstructure evolution processes coupled with well-designed in situ experiments that can provide validation and benchmarking to the computer codes. The broad scientific and technical objectives of this proposal are to evaluate the microstructure and microchemical evolution in advanced ferritic/martensitic and oxide dispersion strengthened (ODS) alloys for cladding and duct reactor materials under long-term and elevated temperature irradiation, leading to improved ability to model structural materials performance and lifetime. Specifically, we propose four research thrusts, namely Thrust 1: Identify the formation mechanism and evolution for dislocation loops with Burgers vector of a<100> and determine whether the defect microstructure (predominately dislocation loop/dislocation density) saturates at high dose. Thrust 2: Identify whether a threshold irradiation temperature or dose exists for the nucleation of growing voids that mark the beginning of irradiation-induced swelling, and begin to probe the limits of thermal stability of the tempered Martensitic structure under irradiation. Thrust 3: Evaluate the stability of nanometer sized Y- Ti-O based oxide dispersion strengthened (ODS) particles at high fluence/temperature. Thrust 4: Evaluate the extent to which precipitates form and/or dissolve as a function of irradiation temperature and dose, and how these changes are driven by radiation induced segregation and microchemical evolutions and determined by the initial microstructure.« less

Part-crystalline part-liquid state and electrical/thermal transport in materials with chemical-bond hierarchy

NASA Astrophysics Data System (ADS)

Zhang, Wenqng

2015-03-01

A concept of part-crystalline part-liquid state (or liquid-like), and even part-crystalline part-glass state (or glass-like), was demonstrated in some materials such as Cu3SbSe3 with chemical-bond-hierarchy, in which certain constituent species weakly bond to other part of the crystal. Such a material could intrinsically manifest the coexistence of rigid crystalline sublattices and other fluctuating noncrystalline sublattices with thermally induced large amplitude vibrations and even flow of the group of species atoms. The large-amplitude vibrations and movement of atoms can generate unusual severe phonon scattering and thermal damping due to the collective low-frequency vibrations similar to the Boson peak in amorphous or liquid materials. While different phase or state may have large energetic discrepancy, whether the thermally-induced part-crystalline state is undergoing phase transition becomes an interesting issue. In addition, our earlier work reported that second-order phase transition could induce extreme electron and phonon scattering in thermoelectrics. The above work clearly demonstrated that the unusual effect from structural fluctuations on thermal and electrical transport in thermoelectrics should be paid attention to. While materials with these structural changes can retain extremely low lattice thermal conductivity and unusual electron transport and become promising candidates for high-performance thermoelectrics, underlying mechanism is yet to be explored.

Temperature induced distortions in space telescope mirrors

NASA Technical Reports Server (NTRS)

Nied, H. F.; Rudmann, A. A.

1993-01-01

In this paper, it is illustrated how measured instantaneous coefficients of thermal expansion (CTE) can be accurately taken into account when modeling the structural behavior of space based optical systems. In particular, the importance of including CTE spatial variations in the analysis of optical elements is emphasized. A comparison is made between the CTE's of three optical materials commonly used in the construction of space mirrors (ULE, Zerodur, and beryllium). The overall impact that selection of any one of these materials has on thermal distortions is briefly discussed. As an example of how temperature dependent spatial variations in thermal strain can be accurately incorporated in the thermo-structural analysis of a precision optical system, a finite element model is developed, which is used to estimate the thermally induced distortions in the Hubble Space Telescope's (HST) primary mirror. In addition to the structural analysis, the optical aberrations due to thermally induced distortions are also examined. These calculations indicate that thermal distortions in HST's primary mirror contribute mainly to defocus error with a relatively small contribution to spherical aberration.

Photochemical preparation of sub-wavelength heterogeneous laser-induced periodic surface structures.

PubMed

Kim, Hee-Cheol; Reinhardt, Hendrik; Hillebrecht, Pierre; Hampp, Norbert A

2012-04-17

Laser-induced periodic surface structures (LIPSS) are a phenomenon caused by interaction of light with solid surfaces. We present a photochemical concept which uses LIPSS-related light intensity patterns for the generation of heterogeneous nanostructures. The process facilitates arbitrary combinations of substrate and LIPSS-pattern materials. An efficient method for the generation of organometallic hybrid-nanowire arrays on porous anodic aluminum oxide is demonstrated. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Self-regulated transport in photonic crystals with phase-changing defects

NASA Astrophysics Data System (ADS)

Thomas, Roney; Ellis, Fred M.; Vitebskiy, Ilya; Kottos, Tsampikos

2018-01-01

Phase-changing materials (PCMs) are widely used for optical data recording, sensing, all-optical switching, and optical limiting. Our focus here is on the case when the change in transmission characteristics of the optical material is caused by the input light itself. Specifically, the light-induced heating triggers the phase transition in the PCM. In this paper, using a numerical example, we demonstrate that the incorporation of the PCM in a photonic structure can lead to a dramatic modification of the effects of light-induced phase transition, as compared to a stand-alone sample of the same PCM. Our focus is on short pulses. We discuss some possible applications of such phase-changing photonic structures for optical sensing and limiting.

New insulation attachment method eliminates compatibility bondline stresses

NASA Technical Reports Server (NTRS)

Schneider, W. C.

1975-01-01

Auger-shaped single-point fastener attaches rigid surface insulation tiles to orbiter shuttle spacecraft. Method can be used to bond wide variety of materials, including insulation, elastomers, and fibrous materials. Since insulation is attached at only one point, insulation and structure are free to form without inducing bond separation.

Diamagnetic composite material structure for reducing undesired electromagnetic interference and eddy currents in dielectric wall accelerators and other devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Caporaso, George J.; Poole, Brian R.; Hawkins, Steven A.

2015-06-30

The devices, systems and techniques disclosed here can be used to reduce undesired effects by magnetic field induced eddy currents based on a diamagnetic composite material structure including diamagnetic composite sheets that are separated from one another to provide a high impedance composite material structure. In some implementations, each diamagnetic composite sheet includes patterned conductor layers are separated by a dielectric material and each patterned conductor layer includes voids and conductor areas. The voids in the patterned conductor layers of each diamagnetic composite sheet are arranged to be displaced in position from one patterned conductor layer to an adjacent patternedmore » conductor layer while conductor areas of the patterned conductor layers collectively form a contiguous conductor structure in each diamagnetic composite sheet to prevent penetration by a magnetic field.« less

Static test induced loads verification beyond elastic limit

NASA Technical Reports Server (NTRS)

Verderaime, V.; Harrington, F.

1996-01-01

Increasing demands for reliable and least-cost high-performance aerostructures are pressing design analyses, materials, and manufacturing processes to new and narrowly experienced performance and verification technologies. This study assessed the adequacy of current experimental verification of the traditional binding ultimate safety factor which covers rare events in which no statistical design data exist. Because large high-performance structures are inherently very flexible, boundary rotations and deflections under externally applied loads approaching fracture may distort their transmission and unknowingly accept submarginal structures or prematurely fracturing reliable ones. A technique was developed, using measured strains from back-to-back surface mounted gauges, to analyze, define, and monitor induced moments and plane forces through progressive material changes from total-elastic to total-inelastic zones within the structural element cross section. Deviations from specified test loads are identified by the consecutively changing ratios of moment-to-axial load.

Static test induced loads verification beyond elastic limit

NASA Technical Reports Server (NTRS)

Verderaime, V.; Harrington, F.

1996-01-01

Increasing demands for reliable and least-cost high performance aerostructures are pressing design analyses, materials, and manufacturing processes to new and narrowly experienced performance and verification technologies. This study assessed the adequacy of current experimental verification of the traditional binding ultimate safety factor which covers rare events in which no statistical design data exist. Because large, high-performance structures are inherently very flexible, boundary rotations and deflections under externally applied loads approaching fracture may distort their transmission and unknowingly accept submarginal structures or prematurely fracturing reliable ones. A technique was developed, using measured strains from back-to-back surface mounted gauges, to analyze, define, and monitor induced moments and plane forces through progressive material changes from total-elastic to total inelastic zones within the structural element cross section. Deviations from specified test loads are identified by the consecutively changing ratios of moment-to-axial load.

Irradiation of nuclear materials with laser-plasma filaments produced in air and deuterium by terrawatt (TW) laser pulses

NASA Astrophysics Data System (ADS)

Avotina, Liga; Lungu, Mihail; Dinca, Paul; Butoi, Bogdan; Cojocaru, Gabriel; Ungureanu, Razvan; Marcu, Aurelian; Luculescu, Catalin; Hapenciuc, Claudiu; Ganea, Paul C.; Petjukevics, Aleksandrs; Lungu, Cristian P.; Kizane, Gunta; Ticos, C. M.; Antohe, Stefan

2018-01-01

Be-C-W mixed materials with variable atomic ratios were exposed to high power (TW) laser induced filamentation plasma in air in normal conditions and in deuterium at a reduced pressure of 20 Torr. Morphological and structural investigations were performed on the irradiated zones for both ambient conditions. The presence of low-pressure deuterium increased the overall ablation rate for all samples. From the elemental concentration point of view, the increase of the carbon percentage has led to an increase in the ablation rate. An increase of the tungsten percentage had the opposite effect. From structural spectroscopic investigations using XPS, Raman and FT-IR of the irradiated and non-irradiated sample surfaces, we conclude that deuterium-induced enhancement of the ablation process could be explained by preferential amorphous carbon removal, possibly by forming deuterated hydrocarbons which further evaporated, weakening the layer structure.

Reverse Aging of Composite Materials for Aeronautical Applications

NASA Astrophysics Data System (ADS)

lannone, Michele

2008-08-01

Hygro-thermal ageing of polymer matrix composite materials is a major issue for all the aeronautical structures. For carbon-epoxy composites generally used in aeronautical applications the major effect of ageing is the humidity absorption, which induces a plasticization effect, generally decreasing Tg and elastic moduli, and finally design allowables. A thermodynamical and kinetic study has been performed, aimed to establish a program of periodic heating of the composite part, able to reversing the ageing effect by inducing water desorption. The study was founded on a simple model based on Fick's law, coupled with a concept of "relative saturation coefficient" depending on the different temperature of the composite part and the environment. The behaviour of some structures exposed to humidity and "reverse aged" by heating has been virtually tested. The conclusion of the study allowed to issue a specific patent application for aeronautical structures to be designed on the basis of a "humidity free" concept which allows the use of higher design allowables; having as final results lighter composite structures with a simplified certification process.

Microstructure and Rheology of a Flow-Induced Structured Phase in Wormlike Micellar Solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cardiel Rivera, Joshua J.; Dohnalkova, Alice; Dubash, Neville

2013-04-30

Surfactant molecules found in soaps and detergents can self-assemble into a great variety of morphologies (e.g., spherical micelles, cylindrical micelles, and lamellar phases). The resulting morphology is highly affected by ionic strength, temperature, and flow conditions. In particular, cylindrical micelles in the presence of inorganic or organic salts can self-assemble into large flexible and elongated wormlike micelles. In equilibrium, the wormlike micelles transition from slightly entangled to branched and, finally, to multi-connected structures with increasing salt concentration. In our work, by introducing external flow conditions via microfluidics, these micellar structures can follow very different trajectories on the phase map andmore » new nanoporous structures can be created. This flow induced approach offers great potential to create novel materials and nanoporous scaffolds from wormlike micelles under ambient temperature and pressure, without any chemical and thermal means (1). As a result, this work provides attractive solutions for synthesizing new biocompatible materials under ambient conditions with biosensing, encapsulation, catalysis, photonics, and self-healing applications.« less

Observation of ultrafast temporal evolution of symmetry in short-pulsed laser induced transient states of matter (Conference Presentation)

NASA Astrophysics Data System (ADS)

Garnett, Joy; Krzyzanowska, Halina; Baydin, Andrey; Tolk, Norman H.

2017-02-01

In condensed matter physics, ultrafast photoexcitation has been shown to result in modification of macroscopic material properties, sometimes involving phase changes, on a subpicosecond time scale. In semiconductors, irreversible non-thermal solid-to-liquid structural transitions have been demonstrated at high laser fluences. In the pump-probe experiments reported here, we observe a striking continuously varying low-fluence pump-induced time-dependent structural symmetry modification in intrinsic gallium arsenide (GaAs) using a probe that produces femtosecond polarization-resolved second harmonic generation (f-PRSHG) data. SHG spectroscopy is particularly suited to monitor symmetry changes since its magnitude is governed by the nonlinear optical susceptibility tensor whose elements are determined by the underlying material symmetry. Conceptually, these experiments seek to provide insight into the details of the time evolution of symmetry arising from laser induced transient states of matter in GaAs. Overall, the basic explanation of these experimental observations is that as a result of the photoinduced electronic excitation, many electrons, including bond electrons are excited to higher states. This results in subpicosecond changes in the local anharmonic potential and produces a changing nonlinear polarization response thus accounting for the nonthermal time dependent symmetry changes. Clearly, our approach may be easily extended to many different crystalline materials with different levels of defects, dopants and stresses to fully characterize the time dependent behavior of laser induced transient states in material systems.

Some aspects of coupling-induced sound absorption in enclosures.

PubMed

Sum, K S; Pan, J

2003-08-01

It is known that the coupling between a modally reactive boundary structure of an enclosure and the enclosed sound field induces absorption in the sound field. However, the effect of this absorption on the sound-field response can vary significantly, even when material properties of the structure and dimensions of the coupled system are not changed. Although there have been numerous investigations of coupling between a structure and an enclosed sound field, little work has been done in the area of sound absorption induced by the coupling. Therefore, characteristics of the absorption are not well understood and the extent of its influence on the behavior of the sound-field response is not clearly known. In this paper, the coupling of a boundary structure and an enclosed sound field in frequency bands above the low-frequency range is considered. Three aspects of the coupling-induced sound absorption are studied namely, the effects of exciting either the structure or the sound field directly, damping in the uncoupled sound field and damping in the uncoupled structure. The results provide an understanding of some features of the coupling-induced absorption and its significance to the sound-field response.

p × n-Type Transverse Thermoelectrics: A Novel Type of Thermal Management Material

NASA Astrophysics Data System (ADS)

Tang, Yang; Cui, Boya; Zhou, Chuanle; Grayson, Matthew

2015-06-01

In this paper we review the recently identified p × n-type transverse thermoelectrics and study the thermoelectric properties of the proposed candidate materials. Anisotropic electron and hole conductivity arise from either an artificially engineered band structure or from appropriately anisotropic crystals, and result in orthogonal p-type and n-type directional Seebeck coefficients, inducing a non-zero off-diagonal transverse Seebeck coefficient with appropriately oriented currents. Such materials have potential for new applications of thermoelectric materials in transverse Peltier cooling and transverse thermal energy harvesting. In this paper we review general transverse thermoelectric phenomena to identify advantages of p × n-type transverse thermoelectrics compared with previously studied transverse thermoelectric phenomena. An intuitive overview of the band structure of one such p × n-material, the InAs/GaSb type-II superlattice, is introduced, and the plot of thermoelectric performance as a function of superlattice structure is calculated, as an example of how band structures can be optimized for the best transverse thermoelectric performance.

A study on high NA and evanescent imaging with polarized illumination

NASA Astrophysics Data System (ADS)

Yang, Seung-Hune

Simulation techniques are developed for high NA polarized microscopy with Babinet's principle, partial coherence and vector diffraction for non-periodic geometries. A mathematical model for the Babinet approach is developed and interpreted. Simulation results of the Babinet's principle approach are compared with those of Rigorous Coupled Wave Theory (RCWT) for periodic structures to investigate the accuracy of this approach and its limitations. A microscope system using a special solid immersion lens (SIL) is introduced to image Blu-Ray (BD) optical disc samples without removing the protective cover layer. Aberration caused by the cover layer is minimized with a truncated SIL. Sub-surface imaging simulation is achieved by RCWT, partial coherence, vector diffraction and Babinet's Principle. Simulated results are compared with experimental images and atomic force microscopy (AFM) measurement. A technique for obtaining native and induced using a significant amount of evanescent energy is described for a solid immersion lens (SIL) microscope. Characteristics of native and induced polarization images for different object structures and materials are studied in detail. Experiments are conducted with a NA = 1.48 at lambda = 550nm microscope. Near-field images are simulated and analyzed with an RCWT approach. Contrast curve versus object spatial frequency calculations are compared with experimental measurements. Dependencies of contrast versus source polarization angles and air gap for native and induced polarization image profiles are evaluated. By using the relationship between induced polarization and topographical structure, an induced polarization image of an alternating phase shift mask (PSM) is converted into a topographical image, which shows very good agreement with AFM measurement. Images of other material structures include a dielectric grating, chrome-on-glass grating, silicon CPU structure, BD-R and BD-ROM.

Present limits and improvements of structural materials for fusion reactors - a review

NASA Astrophysics Data System (ADS)

Tavassoli, A.-A. F.

2002-04-01

Since the transition from ITER or DEMO to a commercial power reactor would involve a significant change in system and materials options, a parallel R&D path has been put in place in Europe to address these issues. This paper assesses the structural materials part of this program along with the latest R&D results from the main programs. It is shown that stainless steels and ferritic/martensitic steels, retained for ITER and DEMO, will also remain the principal contenders for the future FPR, despite uncertainties over irradiation induced embrittlement at low temperatures and consequences of high He/dpa ratio. Neither one of the present advanced high temperature materials has to this date the structural integrity reliability needed for application in critical components. This situation is unlikely to change with the materials R&D alone and has to be mitigated in close collaboration with blanket system design.

Structuring of material parameters in lithium niobate crystals with low-mass, high-energy ion radiation

NASA Astrophysics Data System (ADS)

Peithmann, K.; Eversheim, P.-D.; Goetze, J.; Haaks, M.; Hattermann, H.; Haubrich, S.; Hinterberger, F.; Jentjens, L.; Mader, W.; Raeth, N. L.; Schmid, H.; Zamani-Meymian, M.-R.; Maier, K.

2011-10-01

Ferroelectric lithium niobate crystals offer a great potential for applications in modern optics. To provide powerful optical components, tailoring of key material parameters, especially of the refractive index n and the ferroelectric domain landscape, is required. Irradiation of lithium niobate crystals with accelerated ions causes strong structured modifications in the material. The effects induced by low-mass, high-energy ions (such as 3He with 41 MeV, which are not implanted, but transmit through the entire crystal volume) are reviewed. Irradiation yields large changes of the refractive index Δn, improved domain engineering capability within the material along the ion track, and waveguiding structures. The periodic modification of Δn as well as the formation of periodically poled lithium niobate (PPLN) (supported by radiation damage) is described. Two-step knock-on displacement processes, 3He→Nb and 3He→O causing thermal spikes, are identified as origin for the material modifications.

Thermal-structural modeling of polymer Bragg grating waveguides illuminated by a light emitting diode.

PubMed

Joon Kim, Kyoung; Bar-Cohen, Avram; Han, Bongtae

2012-02-20

This study reports both analytical and numerical thermal-structural models of polymer Bragg grating (PBG) waveguides illuminated by a light emitting diode (LED). A polymethyl methacrylate (PMMA) Bragg grating (BG) waveguide is chosen as an analysis vehicle to explore parametric effects of incident optical powers and substrate materials on the thermal-structural behavior of the BG. Analytical models are verified by comparing analytically predicted average excess temperatures, and thermally induced axial strains and stresses with numerical predictions. A parametric study demonstrates that the PMMA substrate induces more adverse effects, such as higher excess temperatures, complex axial temperature profiles, and greater and more complicated thermally induced strains in the BG compared with the Si substrate. © 2012 Optical Society of America

Neural network approach for characterizing structural transformations by X-ray absorption fine structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timoshenko, Janis; Frenkel, Anatoly I.; Cintins, Arturs

The knowledge of coordination environment around various atomic species in many functional materials provides a key for explaining their properties and working mechanisms. Many structural motifs and their transformations are difficult to detect and quantify in the process of work (operando conditions), due to their local nature, small changes, low dimensionality of the material, and/or extreme conditions. Here we use artificial neural network approach to extract the information on the local structure and its in-situ changes directly from the X-ray absorption fine structure spectra. We illustrate this capability by extracting the radial distribution function (RDF) of atoms in ferritic andmore » austenitic phases of bulk iron across the temperature-induced transition. Integration of RDFs allows us to quantify the changes in the iron coordination and material density, and to observe the transition from body-centered to face-centered cubic arrangement of iron atoms. Furthermore, this method is attractive for a broad range of materials and experimental conditions« less

Neural network approach for characterizing structural transformations by X-ray absorption fine structure

DOE PAGES

Timoshenko, Janis; Frenkel, Anatoly I.; Cintins, Arturs; ...

2018-05-25

The knowledge of coordination environment around various atomic species in many functional materials provides a key for explaining their properties and working mechanisms. Many structural motifs and their transformations are difficult to detect and quantify in the process of work (operando conditions), due to their local nature, small changes, low dimensionality of the material, and/or extreme conditions. Here we use artificial neural network approach to extract the information on the local structure and its in-situ changes directly from the X-ray absorption fine structure spectra. We illustrate this capability by extracting the radial distribution function (RDF) of atoms in ferritic andmore » austenitic phases of bulk iron across the temperature-induced transition. Integration of RDFs allows us to quantify the changes in the iron coordination and material density, and to observe the transition from body-centered to face-centered cubic arrangement of iron atoms. Furthermore, this method is attractive for a broad range of materials and experimental conditions« less

Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy

NASA Astrophysics Data System (ADS)

Timoshenko, Janis; Anspoks, Andris; Cintins, Arturs; Kuzmin, Alexei; Purans, Juris; Frenkel, Anatoly I.

2018-06-01

The knowledge of the coordination environment around various atomic species in many functional materials provides a key for explaining their properties and working mechanisms. Many structural motifs and their transformations are difficult to detect and quantify in the process of work (operando conditions), due to their local nature, small changes, low dimensionality of the material, and/or extreme conditions. Here we use an artificial neural network approach to extract the information on the local structure and its in situ changes directly from the x-ray absorption fine structure spectra. We illustrate this capability by extracting the radial distribution function (RDF) of atoms in ferritic and austenitic phases of bulk iron across the temperature-induced transition. Integration of RDFs allows us to quantify the changes in the iron coordination and material density, and to observe the transition from a body-centered to a face-centered cubic arrangement of iron atoms. This method is attractive for a broad range of materials and experimental conditions.

Deformation twinning induced decomposition of lamellar LPSO structure and its re-precipitation in an Mg-Zn-Y alloy

NASA Astrophysics Data System (ADS)

Shao, X. H.; Zheng, S. J.; Chen, D.; Jin, Q. Q.; Peng, Z. Z.; Ma, X. L.

2016-07-01

The high hardness or yield strength of an alloy is known to benefit from the presence of small-scale precipitation, whose hardening effect is extensively applied in various engineering materials. Stability of the precipitates is of critical importance in maintaining the high performance of a material under mechanical loading. The long period stacking ordered (LPSO) structures play an important role in tuning the mechanical properties of an Mg-alloy. Here, we report deformation twinning induces decomposition of lamellar LPSO structures and their re-precipitation in an Mg-Zn-Y alloy. Using atomic resolution scanning transmission electron microscopy (STEM), we directly illustrate that the misfit dislocations at the interface between the lamellar LPSO structure and the deformation twin is corresponding to the decomposition and re-precipitation of LPSO structure, owing to dislocation effects on redistribution of Zn/Y atoms. This finding demonstrates that deformation twinning could destabilize complex precipitates. An occurrence of decomposition and re-precipitation, leading to a variant spatial distribution of the precipitates under plastic loading, may significantly affect the precipitation strengthening.

Deformation twinning induced decomposition of lamellar LPSO structure and its re-precipitation in an Mg-Zn-Y alloy

PubMed Central

Shao, X. H.; Zheng, S. J.; Chen, D.; Jin, Q. Q.; Peng, Z. Z.; Ma, X. L.

2016-01-01

The high hardness or yield strength of an alloy is known to benefit from the presence of small-scale precipitation, whose hardening effect is extensively applied in various engineering materials. Stability of the precipitates is of critical importance in maintaining the high performance of a material under mechanical loading. The long period stacking ordered (LPSO) structures play an important role in tuning the mechanical properties of an Mg-alloy. Here, we report deformation twinning induces decomposition of lamellar LPSO structures and their re-precipitation in an Mg-Zn-Y alloy. Using atomic resolution scanning transmission electron microscopy (STEM), we directly illustrate that the misfit dislocations at the interface between the lamellar LPSO structure and the deformation twin is corresponding to the decomposition and re-precipitation of LPSO structure, owing to dislocation effects on redistribution of Zn/Y atoms. This finding demonstrates that deformation twinning could destabilize complex precipitates. An occurrence of decomposition and re-precipitation, leading to a variant spatial distribution of the precipitates under plastic loading, may significantly affect the precipitation strengthening. PMID:27435638

Magnetically-induced ferroelectricity in the (ND4)2[FeCl5(D2O)] molecular compound

PubMed Central

Alberto Rodríguez-Velamazán, José; Fabelo, Óscar; Millán, Ángel; Campo, Javier; Johnson, Roger D.; Chapon, Laurent

2015-01-01

The number of magnetoelectric multiferroic materials reported to date is scarce, as magnetic structures that break inversion symmetry and induce an improper ferroelectric polarization typically arise through subtle competition between different magnetic interactions. The (NH4)2[FeCl5(H2O)] compound is a rare case where such improper ferroelectricity has been observed in a molecular material. We have used single crystal and powder neutron diffraction to obtain detailed solutions for the crystal and magnetic structures of (NH4)2[FeCl5(H2O)], from which we determined the mechanism of multiferroicity. From the crystal structure analysis, we observed an order-disorder phase transition related to the ordering of the ammonium counterion. We have determined the magnetic structure below TN, at 2 K and zero magnetic field, which corresponds to a cycloidal spin arrangement with magnetic moments contained in the ac-plane, propagating parallel to the c-axis. The observed ferroelectricity can be explained, from the obtained magnetic structure, via the inverse Dzyaloshinskii-Moriya mechanism. PMID:26417890

Thermo-elasto-plastic simulations of femtosecond laser-induced structural modifications: Application to cavity formation in fused silica

NASA Astrophysics Data System (ADS)

Beuton, Romain; Chimier, Benoît; Breil, Jérôme; Hébert, David; Maire, Pierre-Henri; Duchateau, Guillaume

2017-11-01

The absorbed laser energy of a femtosecond laser pulse in a transparent material induces a warm dense matter region relaxation of which may lead to structural modifications in the surrounding cold matter. The modeling of the thermo-elasto-plastic material response is addressed to predict such modifications. It has been developed in a 2D plane geometry and implemented in a hydrodynamic Lagrangian code. The particular case of a tightly focused laser beam in the bulk of fused silica is considered as a first application of the proposed general model. It is shown that the warm dense matter relaxation, influenced by the elasto-plastic behavior of the surrounding cold matter, generates both strong shock and rarefaction waves. Permanent deformations appear in the surrounding solid matter if the induced stress becomes larger than the yield strength. This interaction results in the formation of a sub-micrometric cavity surrounded by an overdense area. This approach also allows one to predict regions where cracks may form. The present modeling can be used to design nanostructures induced by short laser pulses.

An Analysis of Nondestructive Evaluation Techniques for Polymer Matrix Composite Sandwich Materials

NASA Technical Reports Server (NTRS)

Cosgriff, Laura M.; Roberts, Gary D.; Binienda, Wieslaw K.; Zheng, Diahua; Averbeck, Timothy; Roth, Donald J.; Jeanneau, Philippe

2006-01-01

Structural sandwich materials composed of triaxially braided polymer matrix composite material face sheets sandwiching a foam core are being utilized for applications including aerospace components and recreational equipment. Since full scale components are being made from these sandwich materials, it is necessary to develop proper inspection practices for their manufacture and in-field use. Specifically, nondestructive evaluation (NDE) techniques need to be investigated for analysis of components made from these materials. Hockey blades made from sandwich materials and a flat sandwich sample were examined with multiple NDE techniques including thermographic, radiographic, and shearographic methods to investigate damage induced in the blades and flat panel components. Hockey blades used during actual play and a flat polymer matrix composite sandwich sample with damage inserted into the foam core were investigated with each technique. NDE images from the samples were presented and discussed. Structural elements within each blade were observed with radiographic imaging. Damaged regions and some structural elements of the hockey blades were identified with thermographic imaging. Structural elements, damaged regions, and other material variations were detected in the hockey blades with shearography. Each technique s advantages and disadvantages were considered in making recommendations for inspection of components made from these types of materials.

Simulation studies of GST phase change alloys

NASA Astrophysics Data System (ADS)

Martyna, Glenn

2008-03-01

In order to help drive post-Moore's Law technology development, switching processes involving novel materials, in particular, GeSbTe (GST) alloys are being investigated for use in memory and eFuse applications. An anneal/quench thermal process crystallizes/amorphosizes a GST alloy which then has a low/high resistance and thereby forms a readable/writeable bit; for example, a ``one'' might be the low resistance, conducting crystalline state and a ``zero'' might be the high resistance, glassy state. There are many open questions about the precise nature of the structural transitions and the coupling to electronic structure changes. Computational and experimental studies of the effect of pressure on the GST materials were initiated in order to probe the physics behind the thermal switching process. A new pathway to reversible phase change involving pressure-induced structural metal insulator transitions was discovered. In a binary GS system, a room-temperature, direct, pressure-induced transformation from the high resistance amorphous phase to the low resistance crystalline phase was observed experimentally while the reverse process under tensile load was demonstrated via ab initio MD simulations performed on IBM's Blue Gene/L enabled by massively parallel software. Pressure induced transformations of the ternary material GST-225 (Ge2Sb2Te5) were, also, examined In the talk, the behavior of the two systems will be compared and insight into the nature of the phase change given.

Ferroelectricity with Ferromagnetic Moment in Orthoferrites

NASA Astrophysics Data System (ADS)

Tokunaga, Yusuke

2010-03-01

Exotic multiferroics with gigantic magnetoelectric (ME) coupling have recently been attracting broad interests from the viewpoints of both fundamental physics and possible technological application to next-generation spintronic devices. To attain a strong ME coupling, it would be preferable that the ferroelectric order is induced by the magnetic order. Nevertheless, the magnetically induced ferroelectric state with the spontaneous ferromagnetic moment is still quite rare apart from a few conical-spin multiferroics. To further explore multiferroic materials with both the strong ME coupling and spontaneous magnetization, we focused on materials with magnetic structures other than conical structure. In this talk we present that the most orthodox perovskite ferrite systems DyFeO3 and GdFeO3 have ``ferromagnetic-ferroelectric,'' i.e., genuinely multiferroic states in which weak ferromagnetic moment is induced by Dzyaloshinskii-Moriya interaction working on Fe spins and electric polarization originates from the striction due to symmetric exchange interaction between Fe and Dy (Gd) spins [1] [2]. Both materials showed large electric polarization (>0.1 μC/cm^2) and strong ME coupling. In addition, we succeeded in mutual control of magnetization and polarization with electric- and magnetic-fields in GdFeO3, and attributed the controllability to novel, composite domain wall structure. [4pt] [1] Y. Tokunaga et al., Phys. Rev. Lett. 101, 097205 (2008). [0pt] [2] Y. Tokunaga et al., Nature Mater. 8, 558 (2009).

Tetrazole amphiphile inducing growth of conducting polymers hierarchical nanostructures and their electromagnetic absorption properties

NASA Astrophysics Data System (ADS)

Xie, Aming; Sun, Mengxiao; Zhang, Kun; Xia, Yilu; Wu, Fan

2018-05-01

Conducting polymers (CPs) at nano scales endow materials with special optical, electrical, and magnetic properties. The crucial factor to construct and regulate the micro-structures of CPs is the inducing reagent, particular in its chemical structure, such active sites, self-assembling properties. In this paper, we design and synthesize an amphiphile bearing tetrazole moiety on its skeleton, and use this amphiphile as an inducing reagent to prepare and regulate the micro-structures of a series of CPs including polypyrrole, polyaniline, poly(3,4-ethylenedioxythiophene) and poly(p-phenylenediamine). Because of the unique electric properties of CPs and size effect, we next explored the electromagnetic absorption performances of these CPs nanostructures. A synergetic combination of electric loss and magnetic loss is used to explain the absorption mechanism of these CPs nano-structures.

Stress-Induced Cubic-to-Hexagonal Phase Transformation in Perovskite Nanothin Films.

PubMed

Cao, Shi-Gu; Li, Yunsong; Wu, Hong-Hui; Wang, Jie; Huang, Baoling; Zhang, Tong-Yi

2017-08-09

The strong coupling between crystal structure and mechanical deformation can stabilize low-symmetry phases from high-symmetry phases or induce novel phase transformation in oxide thin films. Stress-induced structural phase transformation in oxide thin films has drawn more and more attention due to its significant influence on the functionalities of the materials. Here, we discovered experimentally a novel stress-induced cubic-to-hexagonal phase transformation in the perovskite nanothin films of barium titanate (BaTiO 3 ) with a special thermomechanical treatment (TMT), where BaTiO 3 nanothin films under various stresses are annealed at temperature of 575 °C. Both high-resolution transmission electron microscopy and Raman spectroscopy show a higher density of hexagonal phase in the perovskite thin film under higher tensile stress. Both X-ray photoelectron spectroscopy and electron energy loss spectroscopy does not detect any change in the valence state of Ti atoms, thereby excluding the mechanism of oxygen vacancy induced cubic-to-hexagonal (c-to-h) phase transformation. First-principles calculations show that the c-to-h phase transformation can be completed by lattice shear at elevated temperature, which is consistent with the experimental observation. The applied bending plus the residual tensile stress produces shear stress in the nanothin film. The thermal energy at the elevated temperature assists the shear stress to overcome the energy barriers during the c-to-h phase transformation. The stress-induced phase transformation in perovskite nanothin films with TMT provides materials scientists and engineers a novel approach to tailor nano/microstructures and properties of ferroelectric materials.

Passive Isolators for use on the International Space Station

NASA Technical Reports Server (NTRS)

Houston, Janice; Gattis, Christy

2003-01-01

The value of the International Space Station (ISS) as a premier microgravity environment is currently at risk due to structure-borne vibration. The vibration sources are varied and include crew activities such as exercising or simply moving from module to module, and electro- mechanical equipment such as fans and pumps. Given such potential degradation of usable microgravity, anything that can be done to dampen vibration on-orbit will significantly benefit microgravity users. Most vibration isolation schemes, both active and passive, have proven to be expensive - both operationally and from the cost of integrating isolation systems into primary/secondary structural interfaces (e.g., the ISS module/rack interface). Recently, passively absorptive materials have been tested at the bolt interfaces between the operating equipment and support structure (secondary/tertiary structural interfaces). The results indicate that these materials may prove cost-effective in mitigating the vibrational problems of the ISS. We report herein tests of passive absorbers placed at the interface of a vibration-inducing component: the Development Distillation Assembly, a subassembly of the Urine Processing Assembly, which is a rotating centrifuge and cylinder assembly attached to a mounting plate. Passive isolators were installed between this mounting plate and its support shelf. Three materials were tested: BISCO HT-800, Sorbothane 30 and Sorbothane 50, plus a control test with a hard shim. In addition, four distinct combinations of the HT-800 and Sorbothane 50 were tested. Results show a significant (three orders of magnitude) reduction of transmitted energy, as measured in power spectral density (PSD), using the isolation materials. It is noted, however, that passive materials cannot prevent the transmission of very strong forces or absorb the total energy induced from structural resonances.

Aggregation-Induced Emission of Multiphenyl-Substituted 1,3-Butadiene Derivatives: Synthesis, Property and Application.

PubMed

Zhang, Yahui; Mao, Huiling; Xu, Weiquan; Shi, Jianbing; Cai, Zhengxu; Tong, Bin; Dong, Yuping

2018-05-29

Organic functional materials, including conjugated molecules and fluorescent dyes, have been rapidly developed in recent years because they can be applied in many fields, such as solar cells, biosensing and bioimaging, and medical adjuvant therapy. Organic functional materials with aggregation-induced emission or aggregation-enhanced emission (AIE/AEE) characteristics have increasingly attracted attention due to their high quantum efficiency in the aggregated or solid state. A large variety of AIE/AEE materials have been designed and applied during the exponential growth of research interest in the abovementioned fields. Multiphenyl-substituted 1,3-butadiene (MPB), as a core structure that includes tetraphenyl-1,3-butadiene, hexaphenyl-1,3-butadiene and their derivatives, show a typical AIE/AEE feature and can be potentially used in all the abovementioned fields. This review summarizes the design principles, the corresponding syntheses, and the structure-property relationships of MPBs, as well as their excellent innovative functionalities and applications. This review will be very useful for scientists conducting chemistry, materials, and biomedical research in AIE/AEE-related fields. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Field induced heliconical structure of cholesteric liquid crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lavrentovich, Oleg D.; Shiyanovsii, Sergij V.; Xiang, Jie

A diffraction grating comprises a liquid crystal (LC) cell configured to apply an electric field through a cholesteric LC material that induces the cholesteric LC material into a heliconical state with an oblique helicoid director. The applied electric field produces diffracted light from the cholesteric LC material within the visible, infrared or ultraviolet. The axis of the heliconical state is in the plane of the liquid crystal cell or perpendicular to the plane, depending on the application. A color tuning device operates with a similar heliconical state liquid crystal material but with the heliconical director axis oriented perpendicular to themore » plane of the cell. A power generator varies the strength of the applied electric field to adjust the wavelength of light reflected from the cholesteric liquid crystal material within the visible, infrared or ultraviolet.« less

A first-principles study on second-order ferroelectric phase transition in two-dimensional puckered group V materials

NASA Astrophysics Data System (ADS)

Lee, Sang-Hoon; Jhi, Seung-Hoon

We study two-dimensional group V materials (P, As, Sb, and Bi) in puckered honeycomb structure using first-principles calculations. Two factors, the degree of puckering and buckling characterize not only the atomic structure but also the electronic structure and its topological phase. By analyzing the lone-pair character of constituent elements and the softening of the phonon mode, we clarify the origin of the buckling. We show that the phonon softening leads the second-order type structural phase transition from a flat to a buckled configuration. The inversion symmetry breaking associated with the structural transition induces the spontaneous polarization in these homogenous materials. Our calculations suggest that external strains or n-type doping are effective methods to control the degree of buckling. We find that the ferroelectric and non-trivial topological phase can coexist in puckered Bi when tensile strains are applied.

Highly Sensitive Determination of the Polaron-Induced Optical Absorption of Organic Charge-Transport Materials

NASA Astrophysics Data System (ADS)

Rabe, T.; Görrn, P.; Lehnhardt, M.; Tilgner, M.; Riedl, T.; Kowalsky, W.

2009-04-01

We examine polaron-induced absorption in organic transport materials using a highly sensitive measurement technique. A hole only device is embedded into a low-loss TE2 waveguide structure, and the current induced change of the waveguide absorption is measured. The exemplary study of 2,2',7,7'-tetrakis(N,N-diphenylamine)-9,9'-spiro-bifluorene (S-TAD) reveals a very low polaron absorption cross section of σp≤2.6×10-18cm2 for 560 nm ≤λ≤660nm. The accuracy of this data is unsurpassed by other techniques used for the unambiguous study of polaronic species in organic thin films.

Granule-by-granule reconstruction of a sandpile from x-ray microtomography data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seidler, G. T.; Martinez, G.; Seeley, L. H.

2000-12-01

Mesoscale disordered materials are ubiquitous in industry and in the environment. Any fundamental understanding of the transport and mechanical properties of such materials must follow from a thorough understanding of their structure. However, in the overwhelming majority of cases, experimental characterization of such materials has been limited to first- and second-order structural correlation functions, i.e., the mean filling fraction and the structural autocorrelation function. We report here the successful combination of synchrotron x-ray microtomography and image processing to determine the full three-dimensional real-space structure of a model disordered material, a granular bed of relatively monodisperse glass spheres. Specifically, we determinemore » the center location and the local connectivity of each granule. This complete knowledge of structure can be used to calculate otherwise inaccessible high-order correlation functions. We analyze nematic order parameters for contact bonds to characterize the geometric anisotropy or fabric induced by the sample boundary conditions. Away from the boundaries we find short-range bond orientational order exhibiting characteristics of the underlying polytetrahedral structure.« less

Induced radioactivity in LDEF components

NASA Technical Reports Server (NTRS)

Harmon, B. A.; Fishman, G. J.; Parnell, T. A.; Laird, C. E.

1991-01-01

The systematics of induced radioactivity on the Long Duration Exposure Facility (LDEF) were studied in a wide range of materials using low level background facilities for detection of gamma rays. Approx. 400 samples of materials processed from structural parts of the spacecraft, as well as materials from onboard experiments, were analyzed at national facilities. These measurements show the variety of radioisotopes that are produced with half-lives greater than 2 wks, most of which are characteristic of proton induced reactions above 20 MeV. For the higher activity, long lived isotopes, it was possible to map the depth and directional dependences of the activity. Due to the stabilized configuration of the LDEF, the induced radioactivity data clearly show contributions from the anisotropic trapped proton flux in the South Atlantic Anomaly. This effect is discussed, along with evidence for activation by galactic protons and thermal neutrons. The discovery of Be-7 was made on leading side parts of the spacecraft, although this was though not to be related to the in situ production of radioisotopes from external particle fluxes.

Successive Magnetic-Field-Induced Transitions and Colossal Magnetoelectric Effect in Ni 3 TeO 6

DOE PAGES

Kim, Jae Wook; Artyukhin, Sergei; Mun, Eun Deok; ...

2015-09-24

In this paper, we report the discovery of a metamagnetic phase transition in a polar antiferromagnet Ni 3TeO 6 that occurs at 52 T. The new phase transition accompanies a colossal magnetoelectric effect, with a magnetic-field-induced polarization change of 0.3 μC/cm 2, a value that is 4 times larger than for the spin-flop transition at 9 T in the same material, and also comparable to the largest magnetically induced polarization changes observed to date. Via density-functional calculations we construct a full microscopic model that describes the data. We model the spin structures in all fields and clarify the physics behindmore » the 52 T transition. The high-field transition involves a competition between multiple different exchange interactions which drives the polarization change through the exchange-striction mechanism. Finally, the resultant spin structure is rather counterintuitive and complex, thus providing new insights on design principles for materials with strong magnetoelectric coupling.« less

Tip-induced domain growth on the non-polar cuts of lithium niobate single-crystals

DOE PAGES

Alikin, Denis O.; Ievlev, Anton; Turigin, Anton P.; ...

2015-05-05

Currently ferroelectric materials with designed domain structures are considered as a perspective material for new generation of photonic, data storage and data processing devices. Application of external electric field is the most convenient way of the domain structure formation. Lots of papers are devoted to investigation of the domain kinetics on polar surface of crystals while the forward growth remains one of the most mysterious stages due to lack of experimental methods allowing to study it. Here we performed tip-induced polarization reversal on X- and Y-non-polar cuts in single-crystal of congruent lithium niobate allows us to study the forward growthmore » with high spatial resolution. The revealed difference in the shape and length of domains induced on X- and Y-cuts is beyond previously developed theoretical approaches used for the theoretical consideration of the domains growth at non-polar ferroelectric surfaces. Lastly, to explain experimental results we used kinetic approach with anisotropy of screening efficiency along different crystallographic directions.« less

Finite element analysis of gradient z-coil induced eddy currents in a permanent MRI magnet.

PubMed

Li, Xia; Xia, Ling; Chen, Wufan; Liu, Feng; Crozier, Stuart; Xie, Dexin

2011-01-01

In permanent magnetic resonance imaging (MRI) systems, pulsed gradient fields induce strong eddy currents in the conducting structures of the magnet body. The gradient field for image encoding is perturbed by these eddy currents leading to MR image distortions. This paper presents a comprehensive finite element (FE) analysis of the eddy current generation in the magnet conductors. In the proposed FE model, the hysteretic characteristics of ferromagnetic materials are considered and a scalar Preisach hysteresis model is employed. The developed FE model was applied to study gradient z-coil induced eddy currents in a 0.5 T permanent MRI device. The simulation results demonstrate that the approach could be effectively used to investigate eddy current problems involving ferromagnetic materials. With the knowledge gained from this eddy current model, our next step is to design a passive magnet structure and active gradient coils to reduce the eddy current effects. Copyright © 2010 Elsevier Inc. All rights reserved.

Laser-induced Forward Transfer of Ag Nanopaste.

PubMed

Breckenfeld, Eric; Kim, Heungsoo; Auyeung, Raymond C Y; Piqué, Alberto

2016-03-31

Over the past decade, there has been much development of non-lithographic methods(1-3) for printing metallic inks or other functional materials. Many of these processes such as inkjet(3) and laser-induced forward transfer (LIFT)(4) have become increasingly popular as interest in printable electronics and maskless patterning has grown. These additive manufacturing processes are inexpensive, environmentally friendly, and well suited for rapid prototyping, when compared to more traditional semiconductor processing techniques. While most direct-write processes are confined to two-dimensional structures and cannot handle materials with high viscosity (particularly inkjet), LIFT can transcend both constraints if performed properly. Congruent transfer of three dimensional pixels (called voxels), also referred to as laser decal transfer (LDT)(5-9), has recently been demonstrated with the LIFT technique using highly viscous Ag nanopastes to fabricate freestanding interconnects, complex voxel shapes, and high-aspect-ratio structures. In this paper, we demonstrate a simple yet versatile process for fabricating a variety of micro- and macroscale Ag structures. Structures include simple shapes for patterning electrical contacts, bridging and cantilever structures, high-aspect-ratio structures, and single-shot, large area transfers using a commercial digital micromirror device (DMD) chip.

Laser-induced Forward Transfer of Ag Nanopaste

PubMed Central

Breckenfeld, Eric; Kim, Heungsoo; Auyeung, Raymond C. Y.; Piqué, Alberto

2016-01-01

Over the past decade, there has been much development of non-lithographic methods1-3 for printing metallic inks or other functional materials. Many of these processes such as inkjet3 and laser-induced forward transfer (LIFT)4 have become increasingly popular as interest in printable electronics and maskless patterning has grown. These additive manufacturing processes are inexpensive, environmentally friendly, and well suited for rapid prototyping, when compared to more traditional semiconductor processing techniques. While most direct-write processes are confined to two-dimensional structures and cannot handle materials with high viscosity (particularly inkjet), LIFT can transcend both constraints if performed properly. Congruent transfer of three dimensional pixels (called voxels), also referred to as laser decal transfer (LDT)5-9, has recently been demonstrated with the LIFT technique using highly viscous Ag nanopastes to fabricate freestanding interconnects, complex voxel shapes, and high-aspect-ratio structures. In this paper, we demonstrate a simple yet versatile process for fabricating a variety of micro- and macroscale Ag structures. Structures include simple shapes for patterning electrical contacts, bridging and cantilever structures, high-aspect-ratio structures, and single-shot, large area transfers using a commercial digital micromirror device (DMD) chip. PMID:27077645

Materials Research for Advanced Inertial Instrumentation. Task 1. Dimensional Stability of Gyroscope Structural Materials.

DTIC Science & Technology

1981-12-01

instability are several among which some readily identifiable ones are phase trans- formation, relief of residual stresses, and microplastic deformation...selection procedures. ideally, advanced generations of inertial instruments require that induced long-term microplastic strains be maintained at levels...SECTION 2 OBJECTIVES The present objectives of this program are as follows: (1) To survey the literature on microplastic properties of materials and

Analysis of Steel-With-Composite Material Substitution in Military Vehicle Hull Floors Subjected to Shallow-Buried Landmine-Detonation Loads

DTIC Science & Technology

2014-01-01

vehicles/structures; in the work of Bergeron et al. (2002), an instrumented ballistic pendulum was utilized to investigate mine detonation-induced...element/ discrete-particle computational analysis in order to investigate potential benefits and drawbacks associated with material substitution...investigate potential benefits and drawbacks associated with material substitution (from steel to composite) in military-vehicle hull-floors whose primary

The investigation of order–disorder transition process of ZSM-5 induced by spark plasma sintering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Liang; Wang, Lianjun, E-mail: wanglj@dhu.edu.cn; Jiang, Wan

2014-04-01

Based on the amorphization of zeolites, an order–disorder transition method was used to prepare silica glass via Spark Plasma Sintering (SPS). In order to get a better understanding about the mechanism of amorphization induced by SPS, the intermediate products in this process were prepared and characterized by different characterization techniques. X-ray diffraction and High-energy synchrotron X-ray scattering show a gradual transformation from ordered crystal to glass. Local structural changes in glass network including Si–O bond length, O–Si–O bond angle, size of rings, coordination were detected by Infrared spectroscopy and {sup 29}Si magic-angle spinning nuclear magnetic resonance (NMR) spectroscopy. Topologically ordered,more » amorphous material with a different intermediate-range structure can be obtained by precise control of intermediate process which can be expected to optimize and design material. - Graphical abstract: Low-density, ordered zeolites collapse to the rigid amorphous glass through spark plasma sintering. The intermediate-range structure formed in the process of order–disorder transition may give rise to specific property. - Highlights: • Order–disorder transition process of ZSM-5 induced by spark plasma sintering was investigated using several methods including XRD, High-energy synchrotron X-ray scattering, SAXS, IR, NMR, ect. • Order–disorder transition induced by SPS was compared with TIA and PIA. • Three stages has been divided during the whole process. • The collapse temperature range which may give rise to intermediate-range structure has been located.« less

Tuning the surface microstructure of titanate coatings on titanium implants for enhancing bioactivity of implants

PubMed Central

Wang, Hui; Lai, Yue-Kun; Zheng, Ru-Yue; Bian, Ye; Zhang, Ke-Qin; Lin, Chang-Jian

2015-01-01

Biological performance of artificial implant materials is closely related to their surface characteristics, such as microtopography, and composition. Therefore, convenient fabrication of artificial implant materials with a cell-friendly surface structure and suitable composition was of great significance for current tissue engineering. In this work, titanate materials with a nanotubular structure were successfully fabricated through a simple chemical treatment. Immersion test in a simulated body fluid and in vitro cell culture were used to evaluate the biological performance of the treated samples. The results demonstrate that the titanate layer with a nanotubular structure on Ti substrates can promote the apatite-inducing ability remarkably and greatly enhance cellular responses. This highlights the potential of such titanate biomaterials with the special nanoscale structure and effective surface composition for biomedical applications such as bone implants. PMID:26089665

Pressure-Induced Structural Evolution and Band Gap Shifts of Organometal Halide Perovskite-Based Methylammonium Lead Chloride.

PubMed

Wang, Lingrui; Wang, Kai; Xiao, Guanjun; Zeng, Qiaoshi; Zou, Bo

2016-12-15

Organometal halide perovskites are promising materials for optoelectronic devices. Further development of these devices requires a deep understanding of their fundamental structure-property relationships. The effect of pressure on the structural evolution and band gap shifts of methylammonium lead chloride (MAPbCl 3 ) was investigated systematically. Synchrotron X-ray diffraction and Raman experiments provided structural information on the shrinkage, tilting distortion, and amorphization of the primitive cubic unit cell. In situ high pressure optical absorption and photoluminescence spectra manifested that the band gap of MAPbCl 3 could be fine-tuned to the ultraviolet region by pressure. The optical changes are correlated with pressure-induced structural evolution of MAPbCl 3 , as evidenced by band gap shifts. Comparisons between Pb-hybrid perovskites and inorganic octahedra provided insights on the effects of halogens on pressure-induced transition sequences of these compounds. Our results improve the understanding of the structural and optical properties of organometal halide perovskites.

Protein crystal nucleation in pores.

PubMed

Nanev, Christo N; Saridakis, Emmanuel; Chayen, Naomi E

2017-01-16

The most powerful method for protein structure determination is X-ray crystallography which relies on the availability of high quality crystals. Obtaining protein crystals is a major bottleneck, and inducing their nucleation is of crucial importance in this field. An effective method to form crystals is to introduce nucleation-inducing heterologous materials into the crystallization solution. Porous materials are exceptionally effective at inducing nucleation. It is shown here that a combined diffusion-adsorption effect can increase protein concentration inside pores, which enables crystal nucleation even under conditions where heterogeneous nucleation on flat surfaces is absent. Provided the pore is sufficiently narrow, protein molecules approach its walls and adsorb more frequently than they can escape. The decrease in the nucleation energy barrier is calculated, exhibiting its quantitative dependence on the confinement space and the energy of interaction with the pore walls. These results provide a detailed explanation of the effectiveness of porous materials for nucleation of protein crystals, and will be useful for optimal design of such materials.

Structure and superconductivity in (Bi{sub 0.35}Cu{sub 0.65})Sr{sub 2}YCu{sub 2}O{sub 7} and related materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jennings, R.A.; Williams, S.P.; Greaves, C.

1994-12-31

The recently reported (Bi/Cu)Sr{sub 2}YCu{sub 2}O{sub 7} phase has been studied by time of flight powder neutron diffraction. The proposed 1212 structure has been confirmed and refinements have shown the oxygen in the (Bi/Cu)O layer is displaced by 0.78{angstrom} from the ideal (1/2,1/2,0) site (P4/mmm space group) along (100). Bond Valence Sum calculations have suggested oxidation states of Bi{sup 5+} and Cu{sup 2+} for the cations in the (Bi/Cu)O layers. The material is non-superconducting and all attempts to induce superconductivity have been unsuccessful. Work on the related material (Ce/Cu)Sr{sub 2}YCu{sub 2}O{sub y} has shown the ideal Ce content to bemore » 0.5 Ce per formula unit. The introduction of Ba (10%) onto the Sr site dramatically increases phase stability and also induces superconductivity (62K).« less

R&D 100, 2016: Stress-Induced Fabrication

ScienceCinema

Fan, Hongyou; Brennan, Tom; Wise, Jack; Liu, Sheng; Hickman, Randy

2018-06-13

Stress-induced fabrication (SIF) uses compressive mechanical stress to create new nanomaterials with lower production costs and enhanced materials performance compared to traditional fabrication routes. Simple, innovative, and with more degrees of freedom than current chemical synthesis methods, SIF uses physical force instead of chemistry applied to form new nanomaterials with precisely controlled structure and tunable properties.

R&D 100, 2016: Stress-Induced Fabrication

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fan, Hongyou; Brennan, Tom; Wise, Jack

Stress-induced fabrication (SIF) uses compressive mechanical stress to create new nanomaterials with lower production costs and enhanced materials performance compared to traditional fabrication routes. Simple, innovative, and with more degrees of freedom than current chemical synthesis methods, SIF uses physical force instead of chemistry applied to form new nanomaterials with precisely controlled structure and tunable properties.

The capacity fading mechanism and improvement of cycling stability in MoS2-based anode materials for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Shu, Haibo; Li, Feng; Hu, Chenli; Liang, Pei; Cao, Dan; Chen, Xiaoshuang

2016-01-01

Two-dimensional (2D) layered MoS2 nanosheets possess great potential as anode materials for lithium ion batteries (LIBs), but they still suffer from poor cycling performance. Improving the cycling stability of electrode materials depends on a deep understanding of their dynamic structural evolution and reaction kinetics in the lithiation process. Herein, thermodynamic phase diagrams and the lithiation dynamics of MoS2-based nanostructures with the intercalation of lithium ions are studied by using first-principles calculations and ab initio molecular dynamics simulations. Our results demonstrate that the continuous intercalation of Li ions induces structural destruction of 2H phase MoS2 nanosheets in the discharge process that follows a layer-by-layer dissociation mechanism. Meanwhile, the intercalation of Li ions leads to a structural transition of MoS2 nanosheets from the 2H to the 1T phase due to the ultralow transition barriers (~0.1 eV). We find that the phase transition can slow down the dissociation of MoS2 nanosheets during lithiation. The result can be applied to explain extensive experimental observation of the fast capacity fading of MoS2-based anode materials between the first and the subsequent discharges. To suppress the dissociation of MoS2 nanosheets in the lithiation process, we propose a strategy by constructing a sandwich-like graphene/MoS2/graphene structure that indicates high chemical stability, superior conductivity, and high Li-ion mobility in the charge/discharge process, implying the possibility to induce an improvement in the anode cycling performance. This work opens a new route to rational design layered transition-metal disulfide (TMD) anode materials for LIBs with superior cycling stability and electrochemical performance.Two-dimensional (2D) layered MoS2 nanosheets possess great potential as anode materials for lithium ion batteries (LIBs), but they still suffer from poor cycling performance. Improving the cycling stability of electrode materials depends on a deep understanding of their dynamic structural evolution and reaction kinetics in the lithiation process. Herein, thermodynamic phase diagrams and the lithiation dynamics of MoS2-based nanostructures with the intercalation of lithium ions are studied by using first-principles calculations and ab initio molecular dynamics simulations. Our results demonstrate that the continuous intercalation of Li ions induces structural destruction of 2H phase MoS2 nanosheets in the discharge process that follows a layer-by-layer dissociation mechanism. Meanwhile, the intercalation of Li ions leads to a structural transition of MoS2 nanosheets from the 2H to the 1T phase due to the ultralow transition barriers (~0.1 eV). We find that the phase transition can slow down the dissociation of MoS2 nanosheets during lithiation. The result can be applied to explain extensive experimental observation of the fast capacity fading of MoS2-based anode materials between the first and the subsequent discharges. To suppress the dissociation of MoS2 nanosheets in the lithiation process, we propose a strategy by constructing a sandwich-like graphene/MoS2/graphene structure that indicates high chemical stability, superior conductivity, and high Li-ion mobility in the charge/discharge process, implying the possibility to induce an improvement in the anode cycling performance. This work opens a new route to rational design layered transition-metal disulfide (TMD) anode materials for LIBs with superior cycling stability and electrochemical performance. Electronic supplementary information (ESI) available: Models and energetics of Li adsorption/intercalation onto MoS2 sheets, details of the phase diagram calculations, schematic illustration for the structural evolution of lithiated MoS2 nanosheets, AIMD trajectories for lithiated silicene/MoS2/silicene composites, and movies for recording the AIMD simulation results. See DOI: 10.1039/c5nr07909h

Initial stages of ion beam-induced phase transformations in Gd2O3 and Lu2O3

NASA Astrophysics Data System (ADS)

Chen, Chien-Hung; Tracy, Cameron L.; Wang, Chenxu; Lang, Maik; Ewing, Rodney C.

2018-02-01

The atomic-scale evolution of lanthanide sesquioxides Gd2O3 and Lu2O3 irradiated with 1 MeV Kr ions at room temperature and 120 K, up to fluences of 1 × 1016 ions/cm2 (˜20 dpa), has been characterized by in situ transmission electron microscopy. At room temperature, both oxides exhibited high radiation tolerance. Irradiation did not cause any observable structural change in either material, likely due to the mobility of irradiation-induced point defects, causing efficient defect annihilation. For Gd2O3, having the larger cation ionic radius of the two materials, an irradiation-induced stacking fault structure appeared at low fluences in the low temperature irradiation. As compared with the cubic-to-monoclinic phase transformations known to result from higher energy (˜GeV) ion irradiation, Kr ions of lower energies (˜MeV) yield much lower rates of damage accumulation and thus less extensive structural modification. At a fluence of 2.5 × 1015 ions/cm2, only the initial stages of the cubic-to-monoclinic (C to B) phase transformation process, consisting of the formation and aggregation of defects, have been observed.

Spatially selective Au nanoparticle growth in laser-quality glass controlled by UV-induced phosphate-chain cross-linkage

NASA Astrophysics Data System (ADS)

Sigaev, Vladimir N.; Savinkov, Vitaly I.; Lotarev, Sergey V.; Shakhgildyan, Georgiy Yu; Lorenzi, Roberto; Paleari, Alberto

2013-06-01

Herein we describe how UV excitation of localized electronic states in phosphate glasses can activate structural rearrangements that influence the kinetics of Au nanoparticle (NP) thermal growth in Au-doped glass. The results suggest a novel strategy to address the problem of controlling nano-assembly processes of metal NP patterns in fully inorganic and chemically stable hard materials, such as laser-quality glasses. We show that the mechanism is promoted by opening and subsequent cross-linkage of phosphate chains under UV excitation of non-bridging groups in the amorphous network of the glass, with a consequent modification of Au diffusion and metal NP growth. Importantly, the micro-Raman mapping of the UV-induced modifications demonstrates that the process is restricted within the beam waist region of the focused UV laser beam. This fact is consistent with the need for more than one excitation event, close in time and in space, in order to promote structural cross-linkage and Au diffusion confinement. The stability of the photo-induced modifications makes it possible to design new metal patterning approaches for the fabrication of three-dimensional metal structures in laser-quality materials for high-power nonlinear applications.

Spatially selective Au nanoparticle growth in laser-quality glass controlled by UV-induced phosphate-chain cross-linkage.

PubMed

Sigaev, Vladimir N; Savinkov, Vitaly I; Lotarev, Sergey V; Shakhgildyan, Georgiy Yu; Lorenzi, Roberto; Paleari, Alberto

2013-06-07

Herein we describe how UV excitation of localized electronic states in phosphate glasses can activate structural rearrangements that influence the kinetics of Au nanoparticle (NP) thermal growth in Au-doped glass. The results suggest a novel strategy to address the problem of controlling nano-assembly processes of metal NP patterns in fully inorganic and chemically stable hard materials, such as laser-quality glasses. We show that the mechanism is promoted by opening and subsequent cross-linkage of phosphate chains under UV excitation of non-bridging groups in the amorphous network of the glass, with a consequent modification of Au diffusion and metal NP growth. Importantly, the micro-Raman mapping of the UV-induced modifications demonstrates that the process is restricted within the beam waist region of the focused UV laser beam. This fact is consistent with the need for more than one excitation event, close in time and in space, in order to promote structural cross-linkage and Au diffusion confinement. The stability of the photo-induced modifications makes it possible to design new metal patterning approaches for the fabrication of three-dimensional metal structures in laser-quality materials for high-power nonlinear applications.

Use of microorganisms to improve the cementation of granular structures. Applications in the restoration of monuments

NASA Astrophysics Data System (ADS)

González, Isabel; Mayoral, Eduardo; Ortiz, Pilar; Segura, Dolores; Vazquez, Auxiliadora; Barba, Cinta; Ortiz, Rocio; Romero, Antonio

2015-04-01

This researching work focuses on the development of new procedures to be applied in heritage rehabilitation, through the implementation of low-cost biotechnological processes in the realm of engineering and architecture. In doing so, it explores the possibilities of MICP (Microbially Induced Calcite Precipitation), which is a biomineralization process applied to improve the engineering properties of granular structures. This is a novelty approach at present, as there are few researches putting together knowledge in biotechnology and mineralogy to by applied in architecture and engineer. Some authors propose the bacteria use to generate habitable structures that reduce desertification (Magnus Larsson 2008). Innovative research teams led by De Jong and the University of California UC Davis (XXXX) study how cement or stabilize soils to prevent landslides, improving the foundation injecting populations of Bacillus pasteurii in the field. Bacterially induced mineralization has emerged as a method for protecting and consolidating decayed ornamental stone, which offers noticeable advantages compared to traditional restoration procedures (Tiano et al., 1999). Castanier et al. (2000) found that Bacillus cereus was able to induce extracellular precipitation of calcium carbonate on decayed limestones. Rodriguez-Navarro et al. (2003) tested the ability of Myxococcus xanthus to induce calcium carbonate precipitation. Current studies are evaluating the potential of bacteria as self-healing agents for the autonomous decrease of permeability of concrete upon crack formation (De Muynck, et al 2010) In the urban area of Seville, most historical buildings are constructed with calcarenites, limestones, sandstones and bricks, the weathering forms associated to this building materials often are granular disintegration, so the proposed technology has a huge potential to be applied to these materials for possible restoration. This research is mainly grounded on laboratory work, which focuses on finding out the best conditions to cultivate populations of bacterias Bacillus pasteurii and Myxococcus xanthus and the suitable proportions of the mixing of urea, with building material, calcium chloride; to come out with structural components interesting for the civil engineering. Trials with some stone materials with alteration problems (granular disintegration) have been carried out to assess their application to the restoration of monuments. Porosity and petrographical characterization has been analyzed before and after the process.

Response of Gd 2 Ti 2 O 7 and La 2 Ti 2 O 7 to swift-heavy ion irradiation and annealing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Sulgiye; Lang, Maik; Tracy, Cameron L.

2015-07-01

Swift heavy ion (2 GeV 181Ta) irradiation-induced amorphization and temperature-induced recrystallization of cubic pyrochlore Gd2Ti2O7 (Fd3¯m) are compared with the response of a compositionally-similar material with a monoclinic-layered perovskite-type structure, La2Ti2O7 (P21). The averaged electronic energy loss, dE/dx, was 37 keV/nm and 35 keV/nm in Gd2Ti2O7 and La2Ti2O7, respectively. Systematic analysis of the structural modifications was completed using transmission electron microscopy, synchrotron X-ray diffraction, Raman spectroscopy, and small-angle X-ray scattering. Increasing ion-induced amorphization with increasing ion fluence was evident in the X-ray diffraction patterns of both compositions by a reduction in the intensity of the diffraction maxima concurrent with themore » growth in intensity of a broad diffuse scattering halo. Transmission electron microscopy analysis showed complete amorphization within ion tracks (diameter: ~10 nm) for the perovskite-type material; whereas a concentric, core–shell morphology was evident in the ion tracks of the pyrochlore, with an outer shell of disordered yet still crystalline material with the fluorite structure surrounding an amorphous track core (diameter: ~9 nm). The radiation response of both titanate oxides with the same stoichiometry can be understood in terms of differences in their structures and compositions. While the radiation damage susceptibility of pyrochlore A2B2O7 materials decreases as a function of the cation radius ratio rA/rB, the current study correlates this behavior with the stability field of monoclinic structures, where rLa/rTi > rGd/rTi. Isochronal annealing experiments of the irradiated materials showed complete recrystallization of La2Ti2O7 at 775 °C and of Gd2Ti2O7 at 850 °C. The annealing behavior is discussed in terms of enhanced damage recovery in La2Ti2O7, compared to the pyrochlore compounds Gd2Ti2O7. The difference in the recrystallization behavior may be related to structural constraints, i.e., reconstructing a low symmetry versus a high symmetry phase.« less

Engineered unique elastic modes at a BaTiO 3/2x1-Ge(001) interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumah, D. P.; Dogan, M.; Ngai, J. H.

Here, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO 3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO 3. While the complex crystal structure is predicted using first-principles theory, it is further shown that themore » details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO 3 induced by the symmetry of forces exerted by the germanium substrate.« less

Engineered Unique Elastic Modes at a BaTiO 3 / ( 2 × 1 ) - Ge ( 001 ) Interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumah, D. P.; Dogan, M.; Ngai, J. H.

The strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO3. While the complex crystal structure is predicted using first-principles theory, it is further shown that the details of themore » structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO3 induced by the symmetry of forces exerted by the germanium substrate.« less

Engineered unique elastic modes at a BaTiO 3/2x1-Ge(001) interface

DOE PAGES

Kumah, D. P.; Dogan, M.; Ngai, J. H.; ...

2016-03-07

Here, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO 3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO 3. While the complex crystal structure is predicted using first-principles theory, it is further shown that themore » details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO 3 induced by the symmetry of forces exerted by the germanium substrate.« less

Pressure-induced dramatic changes in organic–inorganic halide perovskites

PubMed Central

Yang, Wenge

2017-01-01

Organic–inorganic halide perovskites have emerged as a promising family of functional materials for advanced photovoltaic and optoelectronic applications with high performances and low costs. Various chemical methods and processing approaches have been employed to modify the compositions, structures, morphologies, and electronic properties of hybrid perovskites. However, challenges still remain in terms of their stability, the use of environmentally unfriendly chemicals, and the lack of an insightful understanding into structure–property relationships. Alternatively, pressure, a fundamental thermodynamic parameter that can significantly alter the atomic and electronic structures of functional materials, has been widely utilized to further our understanding of structure–property relationships, and also to enable emergent or enhanced properties of given materials. In this perspective, we describe the recent progress of high-pressure research on hybrid perovskites, particularly regarding pressure-induced novel phenomena and pressure-enhanced properties. We discuss the effect of pressure on structures and properties, their relationships and the underlying mechanisms. Finally, we give an outlook on future research avenues in which high pressure and related alternative methods such as chemical tailoring and interfacial engineering may lead to novel hybrid perovskites uniquely suited for high-performance energy applications. PMID:29147500

Luminescent Porous Polymers Based on Aggregation-Induced Mechanism: Design, Synthesis and Functions.

PubMed

Dalapati, Sasanka; Gu, Cheng; Jiang, Donglin

2016-12-01

Enormous research efforts are focusing on the design and synthesis of advanced luminescent systems, owing to their diverse capability in scientific studies and technological developments. In particular, fluorescence systems based on aggregation-induced emission (AIE) have emerged to show great potential for sensing, bio-imaging, and optoelectronic applications. Among them, integrating AIE mechanisms to design porous polymers is unique because it enables the combination of porosity and luminescence activity in one molecular skeleton for functional design. In recent years rapid progress in exploring AIE-based porous polymers has developed a new class of luminescent materials that exhibit broad structural diversity, outstanding properties and functions and promising applications. By classifying the structural nature of the skeleton, herein the design principle, synthetic development and structural features of different porous luminescent materials are elucidated, including crystalline covalent organic frameworks (COFs), metal-organic frameworks (MOFs), and amorphous porous organic polymers (POPs). The functional exploration of these luminescent porous polymers are highlighted by emphasizing electronic interplay within the confined nanospace, fundamental issues to be addressed are disclosed, and future directions from chemistry, physics and materials science perspectives are proposed. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sensing Applied Load and Damage Effects in Composites with Nondestructive Techniques

DTIC Science & Technology

2017-05-01

evaluation (NDE) techniques. Evaluation using piezoelectrically induced guided waves, acoustic emission, thermography, and X-ray imaging were compared...nondestructive inspection to further understanding of the material itself and the capabilities of various nondestructive evaluation (NDE) techniques...materials because of their inherent differences. NDE techniques exist that can evaluate composite structures for damage including C-Scan

Positron Lifetime Modulation by Electric Field Induced Positronium Formation on a Gold Surface

DTIC Science & Technology

2012-03-22

Angular Momentum (3) ......................................................................... 11 Stopping Power (4...isotope from which it was born, diffused into the material before annihilation occurred. 6 The radioisotope used in this experiment is Na-22 which...that positrons may be useful in studying the internal structure of a wide variety of materials. The radioisotope positron source used in this

Toward “Green” Hybrid Materials: Core–Shell Particles with Enhanced Impact Energy Absorbing Ability

PubMed Central

2016-01-01

Restrained properties of “green” degradable products drive the creation of materials with innovative structures and retained eco-attributes. Herein, we introduce the creation of impact modifiers in the form of core–shell (CS) particles toward the creation of “green” composite materials. Particles with CS structure constituted of PLA stereocomplex (PLASC) and a rubbery phase of poly(ε-caprolactone-co-d,l-lactide) (P[CL-co-LA]) were successfully achieved by spray droplet atomization. A synergistic association of the soft P[CL-co-LA] and hard PLASC domains in the core–shell structure induced unique thermo-mechanical effects on the PLA-based composites. The core–shell particles enhanced the crystallization of PLA matrices by acting as nucleating agents. The core–shell particles functioned efficiently as impact modifiers with minimal effect on the composites stiffness and strength. These findings provide a new platform for scalable design of polymeric-based structures to be used in the creation of advanced degradable materials. PMID:29503773

Dimensional-Hybrid Structures of 2D Materials with ZnO Nanostructures via pH-Mediated Hydrothermal Growth for Flexible UV Photodetectors.

PubMed

Lee, Young Bum; Kim, Seong Ku; Lim, Yi Rang; Jeon, In Su; Song, Wooseok; Myung, Sung; Lee, Sun Sook; Lim, Jongsun; An, Ki-Seok

2017-05-03

Complementary combination of heterostructures is a crucial factor for the development of 2D materials-based optoelectronic devices. Herein, an appropriate solution for fabricating complementary dimensional-hybrid nanostructures comprising structurally tailored ZnO nanostructures and 2D materials such as graphene and MoS 2 is suggested. Structural features of ZnO nanostructures hydrothermally grown on graphene and MoS 2 are deliberately manipulated by adjusting the pH value of the growing solution, which will result in the formation of ZnO nanowires, nanostars, and nanoflowers. The detailed growth mechanism is further explored for the structurally tailored ZnO nanostructures on the 2D materials. Furthermore, a UV photodetector based on the dimensional-hybrid nanostructures is fabricated, which demonstrates their excellent photocurrent and mechanical durability. This can be understood by the existence of oxygen vacancies and oxygen-vacancies-induced band narrowing in the ZnO nanostructures, which is a decisive factor for determining their photoelectrical properties in the hybrid system.

Influence of extrusion rate and magma rheology on the growth of lava domes: Insights from particle-dynamics modeling

NASA Astrophysics Data System (ADS)

Husain, Taha; Elsworth, Derek; Voight, Barry; Mattioli, Glen; Jansma, Pamela

2014-09-01

Lava domes are structures that grow by the extrusion of viscous silicic or intermediate composition magma from a central volcanic conduit. Repeated cycles of growth are punctuated by collapse, as the structure becomes oversized for the strength of the composite magma that rheologically stiffens and strengthens at its surface. Here we explore lava dome growth and failure mechanics using a two-dimensional particle-dynamics model. The model follows the evolution of fractured lava, with solidification driven by degassing induced crystallization of magma. The particle-dynamics model emulates the natural development of dome growth and rearrangement of the lava dome which is difficult in mesh-based analyses due to mesh entanglement effects. The deformable talus evolves naturally as a frictional carapace that caps a ductile magma core. Extrusion rate and magma rheology together with crystallization temperature and volatile content govern the distribution of strength in the composite structure. This new model is calibrated against existing observational models of lava dome growth. Results show that the shape and extent of the ductile core and the overall structure of the lava dome are strongly controlled by the infusion rate. The effects of extrusion rate on magma rheology are sensitive to material stiffness, which in turn is a function of volatile content and crystallinity. Material stiffness and material strength are key model parameters which govern magma rheology and subsequently the morphological character of the lava dome and in turn stability. Degassing induced crystallization causes material stiffening and enhances material strength reflected in non-Newtonian magma behavior. The increase in stiffness and strength of the injected magma causes a transition in the style of dome growth, from endogenous expansion of a ductile core, to stiffer and stronger intruding material capable of punching through the overlying material and resulting in the development of a spine or possibly inducing dome collapse. Simulation results mimic development of a megaspine upon the influx of fresh magma which leads to the re-direction of magma flow, creating a new shear zone and the switching of dome growth from one side to the other. Our model shows similar dome growth dynamics as observed at Soufriere Hills Volcano, Montserrat, indicating a strong correlation between extrusion rate and its subsequent effect on mechanical properties and variations in magma rheology.

Sustainability of Metal Structures via Spray-Clad Remanufacturing

NASA Astrophysics Data System (ADS)

Smith, Gregory M.; Sampath, Sanjay

2018-04-01

Structural reclamation and remanufacturing is an important future design consideration to allow sustainable recovery of degraded structural metals. Heavy machinery and infrastructure components subjected to extended use and/or environment induced degradation require costly and time-consuming replacement. If these parts can be remanufactured to original tolerances, and returned to service with "as good or better" performance, significant reductions in materials, cost, and environmental impact can be achieved. Localized additive restoration via thermal or cold spray methods is a promising approach in recovering and restoring original design strength of degraded metals. The advent of high velocity spray deposition technologies has allowed deposition of near full density materials. In this review, the fundamental scientific and technological elements of such local additive restoration is contemplated including materials, processes, and methodologies to assess the capabilities of such remanufactured systems. This points to sustainable material reclamation, as well as a route toward resource and process sustainability.

Direct synthesis of Ti-containing SBA-16-type mesoporous material by the evaporation-induced self-assembly method and its catalytic performance for oxidative desulfurization.

PubMed

Shah, Asma Tufail; Li, Baoshan; Abdalla, Zaki Eldin Ali

2009-08-15

A novel Ti-containing SBA-16-type mesoporous material (with various Ti loadings of 5, 10, and 15 wt%) was synthesized by an evaporation-induced self-assembly method using F127 copolymer as template. The materials were characterized by XRD, FTIR, TG-DTA, N(2) adsorption, SEM, HRTEM, and XPS. The characterization results show that the material possesses high thermal stability, thick pore walls (10.43-10.68 nm), and high surface area (642.26-691.5 m(2)/g) with a mesoporous worm-like structure, and titanium was successfully incorporated into the silica matrix with a tetrahedral environment. The material showed high activity in the oxidative desulfurization of DBT and its activity was not reduced even after three times recycling; further reuse resulted in a gradual decrease in its activity.

Synthesis and morphogenesis of organic and inorganic polymers by means of biominerals and biomimetic materials.

PubMed

Kijima, Misako; Oaki, Yuya; Munekawa, Yurika; Imai, Hiroaki

2013-02-11

We have studied the simultaneous synthesis and morphogenesis of polymer materials with hierarchical structures from nanoscopic to macroscopic scales. The morphologies of the original materials can be replicated to the polymer materials. In general, it is not easy to achieve the simultaneous synthesis and morphogenesis of polymer material even using host materials. In the present work, four biominerals and three biomimetic mesocrystal structures are used as the host materials or templates and polypyrrole, poly(3-hexylthiopehene), and silica were used as the precursors for the simultaneous syntheses and morphogenesis of polymer materials. The host materials with the hierarchical structure possess the nanospace for the incorporation of the monomers. After the incorporation of the monomers, the polymerization reaction proceeds in the nanospace with addition of the initiator agents. Then, the dissolution of the host materials leads to the formation and morphogenesis of the polymer materials. The scheme of the replication can be classified into the three types based on the structures of the host materials (types I-III). The type I template facilitates the hierarchical replication of the whole host material, type II mediates the hierarchical surface replication, and type III induces the formation of the two-dimensional nanosheets. Based on these results, the approach for the coupled synthesis and morphogenesis can be applied to a variety of combinations of the templates and polymer materials. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optically induced excitonic electroabsorption in a periodically delta-doped InGaAs/GaAs multiple quantum well structure

NASA Technical Reports Server (NTRS)

Larsson, A.; Maserjian, J.

1991-01-01

Large optically induced Stark shifts have been observed in a periodically delta-doped InGaAs/GaAs multiple quantum well structure. With an excitation intensity of 10 mW/sq cm, an absolute quantum well absorption change of 7000/cm was measured with a corresponding differential absorption change as high as 80 percent. The associated maximum change in the quantum well refractive index is 0.04. This material is promising for device development for all-optical computing and signal processing.

Protection of Advanced Electrical Power Systems from Atmospheric Electromagnetic Hazards.

DTIC Science & Technology

1981-12-01

WORDS (Continue on reverse aide if neceeary and Identify by block number) Aircraft Induced Voltages Filters Composite Structures Lightning Transients...transients on the electrical systems of aircraft with metal or composite structures. These transients will be higher than the equipment inherent hardness... composite material in skin and structure. In addition, the advanced electrical power systems used in these aircraft will contain solid state components

Alkali-metal induced band structure deformation investigated by angle-resolved photoemission spectroscopy and first-principles calculations

NASA Astrophysics Data System (ADS)

Ito, S.; Feng, B.; Arita, M.; Someya, T.; Chen, W.-C.; Takayama, A.; Iimori, T.; Namatame, H.; Taniguchi, M.; Cheng, C.-M.; Tang, S.-J.; Komori, F.; Matsuda, I.

2018-04-01

Alkali-metal adsorption on the surface of materials is widely used for in situ surface electron doping, particularly for observing unoccupied band structures by angle-resolved photoemission spectroscopy (ARPES). However, the effects of alkali-metal atoms on the resulting band structures have yet to be fully investigated, owing to difficulties in both experiments and calculations. Here, we combine ARPES measurements on cesium-adsorbed ultrathin bismuth films with first-principles calculations of the electronic charge densities and demonstrate a simple method to evaluate alkali-metal induced band deformation. We reveal that deformation of bismuth surface bands is directly correlated with vertical charge-density profiles at each electronic state of bismuth. In contrast, a change in the quantized bulk bands is well described by a conventional rigid-band-shift picture. We discuss these two aspects of the band deformation holistically, considering spatial distributions of the electronic states and cesium-bismuth hybridization, and provide a prescription for applying alkali-metal adsorption to a wide range of materials.

Impact damage resistance of composite fuselage structure, part 2

NASA Technical Reports Server (NTRS)

Dost, Ernest F.; Finn, Scott R.; Murphy, Daniel P.; Huisken, Amy B.

1993-01-01

The strength of laminated composite materials may be significantly reduced by foreign object impact induced damage. An understanding of the damage state is required in order to predict the behavior of structure under operational loads or to optimize the structural configuration. Types of damage typically induced in laminated materials during an impact event include transverse matrix cracking, delamination, and/or fiber breakage. The details of the damage state and its influence on structural behavior depend on the location of the impact. Damage in the skin may act as a soft inclusion or affect panel stability, while damage occurring over a stiffener may include debonding of the stiffener flange from the skin. An experiment to characterize impact damage resistance of fuselage structure as a function of structural configuration and impact threat was performed. A wide range of variables associated with aircraft fuselage structure such as material type and stiffener geometry (termed, intrinsic variables) and variables related to the operating environment such as impactor mass and diameter (termed, extrinsic variables) were studied using a statistically based design-of-experiments technique. The experimental design resulted in thirty-two different 3-stiffener panels. These configured panels were impacted in various locations with a number of impactor configurations, weights, and energies. The results obtained from an examination of impacts in the skin midbay and hail simulation impacts are documented. The current discussion is a continuation of that work with a focus on nondiscrete characterization of the midbay hail simulation impacts and discrete characterization of impact damage for impacts over the stiffener.

Self-assembly of free-standing RNA membranes

NASA Astrophysics Data System (ADS)

Han, Daehoon; Park, Yongkuk; Kim, Hyejin; Lee, Jong Bum

2014-07-01

RNA has emerged as a promising material for nanostructure and microstructure engineering. Although rare, some macroscopic RNA structures have also been constructed using lipid or polymer materials. Here, we report the first example of an enzymatically generated RNA membrane. This robust and free-standing RNA membrane has a macroscopic structure and is generated without any polymer support or complexation. Our RNA membrane is fabricated following two sequential processes, complementary rolling circle transcription and evaporation-induced self-assembly, and its structural and functional properties are rationally controlled by adjusting RNA base pairing. In this study, three types of RNA membranes are fabricated and are used to demonstrate potential applications.

Chemical Changes in Layered Ferroelectric Semiconductors Induced by Helium Ion Beam

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belianinov, Alex; Burch, Matthew J.; Hysmith, Holland E.

Transitioning to multi-material systems as either interfaced 2D materials or 3D heterostructures can lead to the next generation multi-functional device architectures. Combined direct physical and chemical nanoscale control of these systems offers a new way to tailor material and device functionality as functional structures reach their physical limit. Transition metal thiophosphate (TPS), Cu 1-xIn 1+x/3P 2S 6, that have ferroelectric polarization behavior as layered crystals at room temperature and above make them attractive candidates for direct material sculpting of both chemical and functional properties. The bulk material exhibits stable ferroelectric polarization corroborated by domain structures, rewritable polarization, and hysteresis loops.more » Our previous studies have demonstrated that ferroic order persists on the surface and that spinoidal decomposition of ferroelectric and paraelectric phases occurs in non-stoichiometric Cu/In ratio formulations. Here, we elucidate the chemical changes induced through helium ion irradiation in the TPS family library with varying Cu/In ratio formulations using correlated AFM and ToF-SIMS imaging. We correlate nano- and micro- structures that scale, in area and volume, to the total dose of the helium ion beam, as well as the overall copper concentration in the sample. Furthermore, our ToF-SIMS results show that ion irradiation leads to oxygen penetration as a function of Cu concentration, and proceeds along the Cu domains to the stopping distance of the helium ions in the TPS material. These results opens up new opportunities to understand and implement ferroicly coupled van der Waal devices into an existing framework of 2D heterostructures by locally tuning material chemistry and functionality.« less

Chemical Changes in Layered Ferroelectric Semiconductors Induced by Helium Ion Beam

DOE PAGES

Belianinov, Alex; Burch, Matthew J.; Hysmith, Holland E.; ...

2017-11-30

Transitioning to multi-material systems as either interfaced 2D materials or 3D heterostructures can lead to the next generation multi-functional device architectures. Combined direct physical and chemical nanoscale control of these systems offers a new way to tailor material and device functionality as functional structures reach their physical limit. Transition metal thiophosphate (TPS), Cu 1-xIn 1+x/3P 2S 6, that have ferroelectric polarization behavior as layered crystals at room temperature and above make them attractive candidates for direct material sculpting of both chemical and functional properties. The bulk material exhibits stable ferroelectric polarization corroborated by domain structures, rewritable polarization, and hysteresis loops.more » Our previous studies have demonstrated that ferroic order persists on the surface and that spinoidal decomposition of ferroelectric and paraelectric phases occurs in non-stoichiometric Cu/In ratio formulations. Here, we elucidate the chemical changes induced through helium ion irradiation in the TPS family library with varying Cu/In ratio formulations using correlated AFM and ToF-SIMS imaging. We correlate nano- and micro- structures that scale, in area and volume, to the total dose of the helium ion beam, as well as the overall copper concentration in the sample. Furthermore, our ToF-SIMS results show that ion irradiation leads to oxygen penetration as a function of Cu concentration, and proceeds along the Cu domains to the stopping distance of the helium ions in the TPS material. These results opens up new opportunities to understand and implement ferroicly coupled van der Waal devices into an existing framework of 2D heterostructures by locally tuning material chemistry and functionality.« less

In situ KPFM imaging of local photovoltaic characteristics of structured organic photovoltaic devices.

PubMed

Watanabe, Satoshi; Fukuchi, Yasumasa; Fukasawa, Masako; Sassa, Takafumi; Kimoto, Atsushi; Tajima, Yusuke; Uchiyama, Masanobu; Yamashita, Takashi; Matsumoto, Mutsuyoshi; Aoyama, Tetsuya

2014-02-12

Here, we discuss the local photovoltaic characteristics of a structured bulk heterojunction, organic photovoltaic devices fabricated with a liquid carbazole, and a fullerene derivative based on analysis by scanning kelvin probe force microscopy (KPFM). Periodic photopolymerization induced by an interference pattern from two laser beams formed surface relief gratings (SRG) in the structured films. The surface potential distribution in the SRGs indicates the formation of donor and acceptor spatial distribution. Under illumination, the surface potential reversibly changed because of the generation of fullerene anions and hole transport from the films to substrates, which indicates that we successfully imaged the local photovoltaic characteristics of the structured photovoltaic devices. Using atomic force microscopy, we confirmed the formation of the SRG because of the material migration to the photopolymerized region of the films, which was induced by light exposure through photomasks. The structuring technique allows for the direct fabrication and the control of donor and acceptor spatial distribution in organic photonic and electronic devices with minimized material consumption. This in situ KPFM technique is indispensable to the fabrication of nanoscale electron donor and electron acceptor spatial distribution in the devices.

Reversible structure manipulation by tuning carrier concentration in metastable Cu2S

PubMed Central

Tao, Jing; Chen, Jingyi; Li, Jun; Mathurin, Leanne; Zheng, Jin-Cheng; Li, Yan; Lu, Deyu; Cao, Yue; Wu, Lijun; Cava, Robert Joseph; Zhu, Yimei

2017-01-01

The optimal functionalities of materials often appear at phase transitions involving simultaneous changes in the electronic structure and the symmetry of the underlying lattice. It is experimentally challenging to disentangle which of the two effects––electronic or structural––is the driving force for the phase transition and to use the mechanism to control material properties. Here we report the concurrent pumping and probing of Cu2S nanoplates using an electron beam to directly manipulate the transition between two phases with distinctly different crystal symmetries and charge-carrier concentrations, and show that the transition is the result of charge generation for one phase and charge depletion for the other. We demonstrate that this manipulation is fully reversible and nonthermal in nature. Our observations reveal a phase-transition pathway in materials, where electron-induced changes in the electronic structure can lead to a macroscopic reconstruction of the crystal structure. PMID:28855335

Bi-Metallic Composite Structures With Designed Internal Residual Stress Field

NASA Technical Reports Server (NTRS)

Brice, Craig A.

2014-01-01

Shape memory alloys (SMA) have a unique ability to recover small amounts of plastic strain through a temperature induced phase change. For these materials, mechanical displacement can be accomplished by heating the structure to induce a phase change, through which some of the plastic strain previously introduced to the structure can be reversed. This paper introduces a concept whereby an SMA phase is incorporated into a conventional alloy matrix in a co-continuous reticulated arrangement forming a bi-metallic composite structure. Through memory activation of the mechanically constrained SMA phase, a controlled residual stress field is developed in the interior of the structure. The presented experimental data show that the memory activation of the SMA composite component significantly changes the residual stress distribution in the overall structure. Designing the structural arrangement of the two phases to produce a controlled residual stress field could be used to create structures that have much improved durability and damage tolerance properties.

Biphasic DC measurement approach for enhanced measurement stability and multi-channel sampling of self-sensing multi-functional structural materials doped with carbon-based additives

NASA Astrophysics Data System (ADS)

Downey, Austin; D'Alessandro, Antonella; Ubertini, Filippo; Laflamme, Simon; Geiger, Randall

2017-06-01

Investigation of multi-functional carbon-based self-sensing structural materials for structural health monitoring applications is a topic of growing interest. These materials are self-sensing in the sense that they can provide measurable electrical outputs corresponding to physical changes such as strain or induced damage. Nevertheless, the development of an appropriate measurement technique for such materials is yet to be achieved, as many results in the literature suggest that these materials exhibit a drift in their output when measured with direct current (DC) methods. In most of the cases, the electrical output is a resistance and the reported drift is an increase in resistance from the time the measurement starts due to material polarization. Alternating current methods seem more appropriate at eliminating the time drift. However, published results show they are not immune to drift. Moreover, the use of multiple impedance measurement devices (LCR meters) does not allow for the simultaneous multi-channel sampling of multi-sectioned self-sensing materials due to signal crosstalk. The capability to simultaneously monitor multiple sections of self-sensing structural materials is needed to deploy these multi-functional materials for structural health monitoring. Here, a biphasic DC measurement approach with a periodic measure/discharge cycle in the form of a square wave sensing current is used to provide consistent, stable resistance measurements for self-sensing structural materials. DC measurements are made during the measurement region of the square wave while material depolarization is obtained during the discharge region of the periodic signal. The proposed technique is experimentally shown to remove the signal drift in a carbon-based self-sensing cementitious material while providing simultaneous multi-channel measurements of a multi-sectioned self-sensing material. The application of the proposed electrical measurement technique appears promising for real-time utilization of self-sensing materials in structural health monitoring.

Experimental evidence of new tetragonal polymorphs of silicon formed through ultrafast laser-induced confined microexplosion

DOE PAGES

Rapp, L.; Haberl, B.; Pickard, C. J.; ...

2015-06-29

Ordinary materials can transform into novel phases with new crystal structures at extraordinary high pressure and temperature applied under both equilibrium and non-equilibrium conditions 1-6. The recently developed method of ultra-short laser-induced confined microexplosions 7-9 extends the range of possible new phases by initiating a highly non-equilibrium plasma state deep inside a bulk material 7-12. Ultra-high quenching rates can help to overcome kinetic barriers to the formation of new metastable phases, while the surrounding pristine crystal confines the affected material and preserves it for further study 10-12. Here we demonstrate that ultra-rapid pressure release from a completely disordered plasma statemore » in silicon produces several new metastable end phases quenched to ambient conditions. Their structure is determined from comparison to an ab initio random structure search which revealed six new energetically competitive potential phases, four tetragonal and two monoclinic ones. We show the presence of bt8 and st12, which have been predicted theoretically previously 13-15, but have not been observed in nature or in laboratory experiments. Additionally, the presence of the as yet unidentified silicon phase, Si-VIII and two of our other predicted tetragonal phases are highly likely within laser-affected zones. These findings pave the way for new materials with novel and exotic properties.« less

Stress reduction in an isotropic plate with a hole by applied induced strains

NASA Technical Reports Server (NTRS)

Sensharma, Pradeep K.; Palantera, Markku J.; Haftka, Raphael T.

1992-01-01

Recently there has been much interest in adaptive structures that can respond to a varying environment by changing their properties. Shape memory alloys and piezoelectric materials can be used as induced strain actuators to reduce stresses in the regions of stress concentration. The objective of the work was to find the maximum possible reduction in the stress concentration factor in an isotropic plate with a hole by applying induced strains in a small area near the hole. Induced strains were simulated by thermal expansion.

Damage evolution during actuation fatigue in shape memory alloys (SPIE Best Student Paper Award)

NASA Astrophysics Data System (ADS)

Phillips, Francis R.; Wheeler, Robert; Lagoudas, Dimitris C.

2018-03-01

Shape Memory Alloys (SMAs) are unique materials able to undergo a thermomechanically induced, reversible phase transformation. Additionally, SMA are subject to two types of fatigue, that is structural fatigue due to cyclic loading as experienced by most materials, as well as actuation fatigue due to repeated thermally induced phase transformation. The evolution of multiple material characteristics is presented over the actuation fatigue lifetime of NiTiHf actuators, including the accumulation of irrecoverable strain, the evolution of internal voids, and the evolution of the effective modulus of the actuator. The results indicate that all three of these material characteristics are clearly interconnected and careful analysis of each of these characteristics can help to understand the evolution of the others, as well as help to understand how actuation fatigue leads to ultimate failure of the actuator.

Generating Bulk-Scale Ordered Optical Materials Using Shear-Assembly in Viscoelastic Media.

PubMed

Finlayson, Chris E; Baumberg, Jeremy J

2017-06-22

We review recent advances in the generation of photonics materials over large areas and volumes, using the paradigm of shear-induced ordering of composite polymer nanoparticles. The hard-core/soft-shell design of these particles produces quasi-solid "gum-like" media, with a viscoelastic ensemble response to applied shear, in marked contrast to the behavior seen in colloidal and granular systems. Applying an oscillatory shearing method to sub-micron spherical nanoparticles gives elastomeric photonic crystals (or "polymer opals") with intense tunable structural color. The further engineering of this shear-ordering using a controllable "roll-to-roll" process known as Bending Induced Oscillatory Shear (BIOS), together with the interchangeable nature of the base composite particles, opens potentially transformative possibilities for mass manufacture of nano-ordered materials, including advances in optical materials, photonics, and metamaterials/plasmonics.

Generating Bulk-Scale Ordered Optical Materials Using Shear-Assembly in Viscoelastic Media

PubMed Central

Finlayson, Chris E.; Baumberg, Jeremy J.

2017-01-01

We review recent advances in the generation of photonics materials over large areas and volumes, using the paradigm of shear-induced ordering of composite polymer nanoparticles. The hard-core/soft-shell design of these particles produces quasi-solid “gum-like” media, with a viscoelastic ensemble response to applied shear, in marked contrast to the behavior seen in colloidal and granular systems. Applying an oscillatory shearing method to sub-micron spherical nanoparticles gives elastomeric photonic crystals (or “polymer opals”) with intense tunable structural color. The further engineering of this shear-ordering using a controllable “roll-to-roll” process known as Bending Induced Oscillatory Shear (BIOS), together with the interchangeable nature of the base composite particles, opens potentially transformative possibilities for mass manufacture of nano-ordered materials, including advances in optical materials, photonics, and metamaterials/plasmonics. PMID:28773044

Self-amplified photo-induced gap quenching in a correlated electron material

PubMed Central

Mathias, S.; Eich, S.; Urbancic, J.; Michael, S.; Carr, A. V.; Emmerich, S.; Stange, A.; Popmintchev, T.; Rohwer, T.; Wiesenmayer, M.; Ruffing, A.; Jakobs, S.; Hellmann, S.; Matyba, P.; Chen, C.; Kipp, L.; Bauer, M.; Kapteyn, H. C.; Schneider, H. C.; Rossnagel, K.; Murnane, M. M.; Aeschlimann, M.

2016-01-01

Capturing the dynamic electronic band structure of a correlated material presents a powerful capability for uncovering the complex couplings between the electronic and structural degrees of freedom. When combined with ultrafast laser excitation, new phases of matter can result, since far-from-equilibrium excited states are instantaneously populated. Here, we elucidate a general relation between ultrafast non-equilibrium electron dynamics and the size of the characteristic energy gap in a correlated electron material. We show that carrier multiplication via impact ionization can be one of the most important processes in a gapped material, and that the speed of carrier multiplication critically depends on the size of the energy gap. In the case of the charge-density wave material 1T-TiSe2, our data indicate that carrier multiplication and gap dynamics mutually amplify each other, which explains—on a microscopic level—the extremely fast response of this material to ultrafast optical excitation. PMID:27698341

Chemical and Structural Stability of Lithium-Ion Battery Electrode Materials under Electron Beam

DOE PAGES

Lin, Feng; Markus, Isaac M.; Doeff, Marca M.; ...

2014-07-16

Our investigation of chemical and structural dynamics in battery materials is essential to elucidation of structure-property relationships for rational design of advanced battery materials. Spatially resolved techniques, such as scanning/transmission electron microscopy (S/TEM), are widely applied to address this challenge. But, battery materials are susceptible to electron beam damage, complicating the data interpretation. In this study, we demonstrate that, under electron beam irradiation, the surface and bulk of battery materials undergo chemical and structural evolution equivalent to that observed during charge-discharge cycling. In a lithiated NiO nanosheet, a Li2CO3-containing surface reaction layer (SRL) was gradually decomposed during electron energy loss spectroscopy (EELS) acquisition. For cycled LiNi 0.4Mn 0.4Co 0.18Ti 0.02O 2 particles, repeated electron beam irradiation induced a phase transition from an Rmore » $$\\bar{3}$$m layered structure to an rock-salt structure, which is attributed to the stoichiometric lithium and oxygen removal from R$$\\bar{3}$$m 3a and 6c sites, respectively. Nevertheless, it is still feasible to preserve pristine chemical environments by minimizing electron beam damage, for example, in using fast electron imaging and spectroscopy. Finally, the present study provides examples of electron beam damage on lithium-ion battery materials and suggests that special attention is necessary to prevent misinterpretation of experimental results.« less

New perspectives on potential hydrogen storage materials using high pressure.

PubMed

Song, Yang

2013-09-21

In addressing the global demand for clean and renewable energy, hydrogen stands out as the most suitable candidate for many fuel applications that require practical and efficient storage of hydrogen. Supplementary to the traditional hydrogen storage methods and materials, the high-pressure technique has emerged as a novel and unique approach to developing new potential hydrogen storage materials. Static compression of materials may result in significant changes in the structures, properties and performance that are important for hydrogen storage applications, and often lead to the formation of unprecedented phases or complexes that have profound implications for hydrogen storage. In this perspective article, 22 types of representative potential hydrogen storage materials that belong to four major classes--simple hydride, complex hydride, chemical hydride and hydrogen containing materials--were reviewed. In particular, their structures, stabilities, and pressure-induced transformations, which were reported in recent experimental works together with supporting theoretical studies, were provided. The important contextual aspects pertinent to hydrogen storage associated with novel structures and transitions were discussed. Finally, the summary of the recent advances reviewed and the insight into the future research in this direction were given.

Graphene Emerges as a Versatile Template for Materials Preparation.

PubMed

Li, Zhengjie; Wu, Sida; Lv, Wei; Shao, Jiao-Jing; Kang, Feiyu; Yang, Quan-Hong

2016-05-01

Graphene and its derivatives are emerging as a class of novel but versatile templates for the controlled preparation and functionalization of materials. In this paper a conceptual review on graphene-based templates is given, highlighting their versatile roles in materials preparation. Graphene is capable of acting as a low-dimensional hard template, where its two-dimensional morphology directs the formation of novel nanostructures. Graphene oxide and other functionalized graphenes are amphiphilic and may be seen as soft templates for formatting the growth or inducing the controlled assembly of nanostructures. In addition, nanospaces in restacked graphene can be used for confining the growth of sheet-like nanostructures, and assemblies of interlinked graphenes can behave either as skeletons for the formation of composite materials or as sacrificial templates for novel materials with a controlled network structure. In summary, flexible graphene and its derivatives together with an increasing number of assembled structures show great potentials as templates for materials production. Many challenges remain, for example precise structural control of such novel templates and the removal of the non-functional remaining templates. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A template-free solvent-mediated synthesis of high surface area boron nitride nanosheets for aerobic oxidative desulfurization.

PubMed

Wu, Peiwen; Zhu, Wenshuai; Chao, Yanhong; Zhang, Jinshui; Zhang, Pengfei; Zhu, Huiyuan; Li, Changfeng; Chen, Zhigang; Li, Huaming; Dai, Sheng

2016-01-04

Hexagonal boron nitride nanosheets (h-BNNs) with rather high specific surface area (SSA) are important two-dimensional layer-structured materials. Here, a solvent-mediated synthesis of h-BNNs revealed a template-free lattice plane control strategy that induced high SSA nanoporous structured h-BNNs with outstanding aerobic oxidative desulfurization performance.

Electric field induced spin-polarized current

DOEpatents

Murakami, Shuichi; Nagaosa, Naoto; Zhang, Shoucheng

2006-05-02

A device and a method for generating an electric-field-induced spin current are disclosed. A highly spin-polarized electric current is generated using a semiconductor structure and an applied electric field across the semiconductor structure. The semiconductor structure can be a hole-doped semiconductor having finite or zero bandgap or an undoped semiconductor of zero bandgap. In one embodiment, a device for injecting spin-polarized current into a current output terminal includes a semiconductor structure including first and second electrodes, along a first axis, receiving an applied electric field and a third electrode, along a direction perpendicular to the first axis, providing the spin-polarized current. The semiconductor structure includes a semiconductor material whose spin orbit coupling energy is greater than room temperature (300 Kelvin) times the Boltzmann constant. In one embodiment, the semiconductor structure is a hole-doped semiconductor structure, such as a p-type GaAs semiconductor layer.

Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

NASA Astrophysics Data System (ADS)

Junquera, Javier; Aguado-Puente, Pablo

2013-03-01

At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.

Hydrogen-Induced Delayed Cracking in TRIP-Aided Lean-Alloyed Ferritic-Austenitic Stainless Steels.

PubMed

Papula, Suvi; Sarikka, Teemu; Anttila, Severi; Talonen, Juho; Virkkunen, Iikka; Hänninen, Hannu

2017-06-03

Susceptibility of three lean-alloyed ferritic-austenitic stainless steels to hydrogen-induced delayed cracking was examined, concentrating on internal hydrogen contained in the materials after production operations. The aim was to study the role of strain-induced austenite to martensite transformation in the delayed cracking susceptibility. According to the conducted deep drawing tests and constant load tensile testing, the studied materials seem not to be particularly susceptible to delayed cracking. Delayed cracks were only occasionally initiated in two of the materials at high local stress levels. However, if a delayed crack initiated in a highly stressed location, strain-induced martensite transformation decreased the crack arrest tendency of the austenite phase in a duplex microstructure. According to electron microscopy examination and electron backscattering diffraction analysis, the fracture mode was predominantly cleavage, and cracks propagated along the body-centered cubic (BCC) phases ferrite and α'-martensite. The BCC crystal structure enables fast diffusion of hydrogen to the crack tip area. No delayed cracking was observed in the stainless steel that had high austenite stability. Thus, it can be concluded that the presence of α'-martensite increases the hydrogen-induced cracking susceptibility.

Hydrogen-Induced Delayed Cracking in TRIP-Aided Lean-Alloyed Ferritic-Austenitic Stainless Steels

PubMed Central

Papula, Suvi; Sarikka, Teemu; Anttila, Severi; Talonen, Juho; Virkkunen, Iikka; Hänninen, Hannu

2017-01-01

Susceptibility of three lean-alloyed ferritic-austenitic stainless steels to hydrogen-induced delayed cracking was examined, concentrating on internal hydrogen contained in the materials after production operations. The aim was to study the role of strain-induced austenite to martensite transformation in the delayed cracking susceptibility. According to the conducted deep drawing tests and constant load tensile testing, the studied materials seem not to be particularly susceptible to delayed cracking. Delayed cracks were only occasionally initiated in two of the materials at high local stress levels. However, if a delayed crack initiated in a highly stressed location, strain-induced martensite transformation decreased the crack arrest tendency of the austenite phase in a duplex microstructure. According to electron microscopy examination and electron backscattering diffraction analysis, the fracture mode was predominantly cleavage, and cracks propagated along the body-centered cubic (BCC) phases ferrite and α’-martensite. The BCC crystal structure enables fast diffusion of hydrogen to the crack tip area. No delayed cracking was observed in the stainless steel that had high austenite stability. Thus, it can be concluded that the presence of α’-martensite increases the hydrogen-induced cracking susceptibility. PMID:28772975

Structural Distortions under pressure and doping in superconducting BaFe2As2

NASA Astrophysics Data System (ADS)

Kimber, Simon

2010-03-01

The discovery of a new family of high-TC materials, the iron arsenides, has led to a resurgence of interest in superconductivity. Several important traits of these materials are now apparent: for example, layers of iron tetrahedrally coordinated by arsenic are crucial structural ingredients. The structure and properties of chemically substituted samples are known to be intimately linked; however, until recently (1), remarkably little was known about this relationship when high pressure is used to induce superconductivity in undoped compounds. Here we show that the key structural features in BaFe2As2 show the same behaviour under pressure as found in chemically substituted samples. Using experimentally derived structural data, we show that the electronic structure evolves similarly in both cases. Our results show that, in contrast to the cuprates, structural distortions are more important than charge doping in the iron arsenides. This work was performed at the Helmholtz-Zentrum Berlin in collaboration with Ames Laboratory, Goethe-Universit"at Frankfurt, JCNS J"ulich and the Institute Laue-Langevin. (1) S.A.J. Kimber et al, Nature Materials,

Space Materials Handbook. 3rd; ed.

NASA Technical Reports Server (NTRS)

Rittenhouse, John B.; Singletary, John B.

1969-01-01

This edition is the result of an extensive revision and reworking of the second edition of the Space Materials Handbook along with the incorporation of entirely new subject matter coverage and new materials data. All of the most significant material, phenomena, properties, and principles covered in the original Handbook are presented and expanded in this revised and updated version. However, treatment of theoretical aspects has been condensed in order that more emphasis could be placed on the extensive new materials knowledge and data obtained from the design and successful launching of a wide variety of space systems. The handbook is organized into four parts, namely: space environment, effect of space environment on materials, materials in space, and biological interaction with spacecraft materials. Information on mechanical, physical, and chemical properties and characteristics is given for a wide variety of metallic and nonmetallic materials. The effects of natural and induced environments on materials are appraised. Materials categories include coverage of thermal control materials, optical materials, adhesives, organic structural materials, inorganic structural materials, electronic components and materials, materials for sealing applications, and lubrication materials. In addition, a comprehensive multiple citation index is incorporated which gives ready access to information on specific subject areas with regard to their locations within the Handbook.

Shear wave propagation in anisotropic soft tissues and gels

PubMed Central

Namani, Ravi; Bayly, Philip V.

2013-01-01

The propagation of shear waves in soft tissue can be visualized by magnetic resonance elastography (MRE) [1] to characterize tissue mechanical properties. Dynamic deformation of brain tissue arising from shear wave propagation may underlie the pathology of blast-induced traumatic brain injury. White matter in the brain, like other biological materials, exhibits a transversely isotropic structure, due to the arrangement of parallel fibers. Appropriate mathematical models and well-characterized experimental systems are needed to understand wave propagation in these structures. In this paper we review the theory behind waves in anisotropic, soft materials, including small-amplitude waves superimposed on finite deformation of a nonlinear hyperelastic material. Some predictions of this theory are confirmed in experimental studies of a soft material with controlled anisotropy: magnetically-aligned fibrin gel. PMID:19963987

Extremely large magnetoresistance in the topologically trivial semimetal α -WP2

NASA Astrophysics Data System (ADS)

Du, Jianhua; Lou, Zhefeng; Zhang, ShengNan; Zhou, Yuxing; Xu, Binjie; Chen, Qin; Tang, Yanqing; Chen, Shuijin; Chen, Huancheng; Zhu, Qinqing; Wang, Hangdong; Yang, Jinhu; Wu, QuanSheng; Yazyev, Oleg V.; Fang, Minghu

2018-06-01

Extremely large magnetoresistance (XMR) was recently discovered in many nonmagnetic materials, while its underlying mechanism remains poorly understood due to the complex electronic structure of these materials. Here we report an investigation of the α -phase WP2, a topologically trivial semimetal with monoclinic crystal structure (C 2 /m ), which contrasts with the recently discovered robust type-II Weyl semimetal phase in β -WP2 . We found that α -WP2 exhibits almost all the characteristics of XMR materials: the near-quadratic field dependence of MR, a field-induced up-turn in resistivity followed by a plateau at low temperature, which can be understood by the compensation effect, and high mobility of carriers confirmed by our Hall effect measurements. It was also found that the normalized MRs under different magnetic fields have the same temperature dependence in α -WP2 , the Kohler scaling law can describe the MR data in a wide temperature range, and there is no obvious change in the anisotropic parameter γ value with temperature. The resistance polar diagram has a peanut shape when the field is rotated in the a c plane, which can be understood by the anisotropy of the Fermi surface. These results indicate that both field-induced-gap and temperature-induced Lifshitz transition are not the origin of up-turn in resistivity in the α -WP2 semimetal. Our findings establish α -WP2 as a new reference material for exploring the XMR phenomena.

Design of novel materials for additive manufacturing - Isotropic microstructure and high defect tolerance.

PubMed

Günther, J; Brenne, F; Droste, M; Wendler, M; Volkova, O; Biermann, H; Niendorf, T

2018-01-22

Electron Beam Melting (EBM) is a powder-bed additive manufacturing technology enabling the production of complex metallic parts with generally good mechanical properties. However, the performance of powder-bed based additively manufactured materials is governed by multiple factors that are difficult to control. Alloys that solidify in cubic crystal structures are usually affected by strong anisotropy due to the formation of columnar grains of preferred orientation. Moreover, processing induced defects and porosity detrimentally influence static and cyclic mechanical properties. The current study presents results on processing of a metastable austenitic CrMnNi steel by EBM. Due to multiple phase transformations induced by intrinsic heat-treatment in the layer-wise EBM process the material develops a fine-grained microstructure almost without a preferred crystallographic grain orientation. The deformation-induced phase transformation yields high damage tolerance and, thus, excellent mechanical properties less sensitive to process-induced inhomogeneities. Various scan strategies were applied to evaluate the width of an appropriate process window in terms of microstructure evolution, porosity and change of chemical composition.

Phase control of austenitic chrome-nickel steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Korkh, M. K., E-mail: KorkhMK@imp.uran.ru; Davidov, D. I., E-mail: davidov@imp.uran.ru; Korkh, J. V., E-mail: Korkh@imp.uran.ru

2015-10-27

The paper presents the results of the comparative study of the possibilities of different structural and magnetic methods for detection and visualization of the strain-induced martensitic phase in low carbon austenitic chromium-nickel steel. Results of TEM, SEM, optical microscopy, atomic and magnetic force microscopy, and magnetic measurements are presented. Amount of the magnetic strain-induced martensite was estimated. We pioneered magnetic force microscopic images of the single domain cluster distribution of the strain-induced martensite in austenite-ferrite materials.

Photochemistry of Fe(Iii)-Carboxylates in Polysaccharide-Based Materials with Tunable Mechanical Properties

NASA Astrophysics Data System (ADS)

Giammanco, Giuseppe E.

We present the formulation and study of light-responsive materials based on carboxylate-containing polysaccharides. The functional groups in these natural polymers allow for strong interactions with transition metal ions such as Fe(III). The known photochemistry of hydroxycarboxylic acids in natural waters inspired us in exploring the visible light induced photochemistry of the carboxylates in these polysaccharides when coordinated to Fe(III) ions. Described in this dissertation are the design and characterization of the Fe(III)-polysaccharide materials, specifically the mechanistic aspects of the photochemistry and the effects that these reactions have on the structure of the polymer materials. We present a study of the quantitative photochemistry of different polysaccharide systems, where the presence of uronic acids was important for the photoreaction to take place. Alginate (Alg), pectate (Pec), hyaluronic acid (Hya), xanthan gum (Xan), and a polysaccharide extracted from the Noni fruit (NoniPs), were among the natural uronic acid-containing polysaccharide (UCPS) systems we analyzed. Potato starch, lacking of uronate groups, did not present any photochemistry in the presence of Fe(III); however, we were able to induce a photochemical response in this polysaccharide upon chemical manipulation of its functional groups. Important structure-function relationships were drawn from this study. The uronate moiety present in these polysaccharides is then envisioned as a tool to induce response to light in a variety of materials. Following this approach, we report the formulation of materials for controlled drug release, able to encapsulate and release different drug models only upon illumination with visible light. Furthermore, hybrid hydrogels were prepared from UPCS and non-responsive polymers. Different properties of these materials could be tuned by controlling the irradiation time, intensity and location. These hybrid gels were evaluated as scaffolds for tissue engineering showing great promise, as changes in the behavior of the growing cells were observed as a result of the photochemical treatment of the material. We present these natural and readily available, polysaccharide-based, metal-coordination materials as convenient building blocks in the formulation of new stimuli responsive materials. The photochemical methods developed here can be used as convenient tools for creating advanced materials with tailored patterns and gradients of mechanical properties.

Role of chemically and thermally induced crystal lattice distortion in enhancing the Seebeck coefficient in complex tellurides

DOE PAGES

Levin, E. M.; Iowa State Univ., Ames, IA; Kramer, M. J.; ...

2016-07-14

Composition and crystal structure of complex materials can significantly change the Seebeck effect, i.e., heat to electrical energy conversion, which is utilized in thermoelectric materials. Despite decades of studies of various thermoelectric materials and their application, the fundamental understanding of this effect still is limited. One of the most efficient groups of thermoelectric materials is based on GeTe, where Ge is replaced by [Ag + Sb], i.e., Ag xSb xGe 50-2xTe 50 alloys, traditionally shown as (GeTe) m(AgSbTe 2) 100-m (TAGS-m series). Here, in this article, we report on the discovery of two unique phenomena in TAGS materials attributed tomore » the effects from [Ag + Sb] atoms: (i) a linear relation between the Seebeck coefficient and rhombohedral lattice distortion, and (ii) resonance-like temperature-induced behavior of the contribution to the Seebeck coefficient produced by [Ag + Sb] atoms. Finally, our findings show that heat to electrical energy conversion strongly depends on the temperature- and compositionally-induced rhombohedral to cubic transformation where [Ag + Sb] atoms play a crucial mediating role.« less

Concurrent Ultrasonic Tomography and Acoustic Emission in Solid Materials

NASA Astrophysics Data System (ADS)

Chow, Thomas M.

A series of experiments were performed to detect stress induced changes in the elastic properties of various solid materials. A technique was developed where these changes were monitored concurrently by two methods, ultrasonic tomography and acoustic emission monitoring. This thesis discusses some experiments in which acoustic emission (AE) and ultrasonic tomography were performed on various samples of solid materials including rocks, concrete, metals, and fibre reinforced composites. Three separate techniques were used to induce stress in these samples. Disk shaped samples were subject to stress via diametral loading using an indirect tensile test geometry. Cylindrical samples of rocks and concrete were subject to hydraulic fracture tests, and rectangular samples of fibre reinforced composite were subject to direct tensile loading. The majority of the samples were elastically anisotropic. Full waveform acoustic emission and tomographic data were collected while these samples were under load to give information concerning changes in the structure of the material as it was undergoing stress change and/or failure. Analysis of this data indicates that AE and tomographic techniques mutually compliment each other to give a view of the stress induced elastic changes in the tested samples.

Interface-induced multiferroism by design in complex oxide superlattices

PubMed Central

Guo, Hangwen; Wang, Zhen; Dong, Shuai; Ghosh, Saurabh; Saghayezhian, Mohammad; Chen, Lina; Weng, Yakui; Herklotz, Andreas; Ward, Thomas Z.; Jin, Rongying; Pantelides, Sokrates T.; Zhu, Yimei; Zhang, Jiandi; Plummer, E. W.

2017-01-01

Interfaces between materials present unique opportunities for the discovery of intriguing quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if one of the layers is made ultrathin, unexpected properties can be induced between the two bracketing interfaces. We pursue this objective by combining advanced growth and characterization techniques with theoretical calculations. Using prototype La2/3Sr1/3MnO3 (LSMO)/BaTiO3 (BTO) superlattices, we observe a structural evolution in the LSMO layers as a function of thickness. Atomic-resolution EM and spectroscopy reveal an unusual polar structure phase in ultrathin LSMO at a critical thickness caused by interfacing with the adjacent BTO layers, which is confirmed by first principles calculations. Most important is the fact that this polar phase is accompanied by reemergent ferromagnetism, making this system a potential candidate for ultrathin ferroelectrics with ferromagnetic ordering. Monte Carlo simulations illustrate the important role of spin–lattice coupling in LSMO. These results open up a conceptually intriguing recipe for developing functional ultrathin materials via interface-induced spin–lattice coupling. PMID:28607082

Interface-induced multiferroism by design in complex oxide superlattices

DOE PAGES

Guo, Hangwen; Wang, Zhen; Dong, Shuai; ...

2017-05-19

Interfaces between materials present unique opportunities for the discovery of intriguing quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if one of the layers is made ultrathin, unexpected properties can be induced between the two bracketing interfaces. We pursue this objective by combining advanced growth and characterization techniques with theoretical calculations. Using prototype La 2/3Sr 1/3MnO 3 (LSMO)/BaTiO 3 (BTO) superlattices, we observe a structural evolution in the LSMO layers as a function of thickness. Atomic-resolution EM and spectroscopy reveal an unusual polar structure phase in ultrathin LSMO at a critical thickness caused by interfacingmore » with the adjacent BTO layers, which is confirmed by first principles calculations. Most important is the fact that this polar phase is accompanied by reemergent ferromagnetism, making this system a potential candidate for ultrathin ferroelectrics with ferromagnetic ordering. Monte Carlo simulations illustrate the important role of spin–lattice coupling in LSMO. These results open up a conceptually intriguing recipe for developing functional ultrathin materials via interface-induced spin–lattice coupling.« less

Laser induced nanostructures created from Au layer on polyhydroxybutyrate

NASA Astrophysics Data System (ADS)

Michaljaničová, I.; Slepička, P.; Juřík, P.; Švorčík, V.

2017-11-01

Nanostructures as well as composite materials expand the range of materials properties and allow use of these materials in new and highly specific applications. In this paper, we described laser modification of polyhydroxybutyrate films covered with thin gold layer, which led to the formation of various composite structures. The crucial for the composite structures creation was setting of appropriate laser parameters; 15 mJ cm-2 laser fluence and 6 000 pulses were recognized as the best. The morphology of structures was determined by the thickness of the Au layer. The most interesting formations, very porous with the biggest roughness, were observed after treatment of foils covered with 10 nm of Au. The morphology was observed by atomic force microscopy. The influence on roughness and the difference between projected area and surface area was also determined.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jae Wook; Artyukhin, Sergei; Mun, Eun Deok

In this paper, we report the discovery of a metamagnetic phase transition in a polar antiferromagnet Ni 3TeO 6 that occurs at 52 T. The new phase transition accompanies a colossal magnetoelectric effect, with a magnetic-field-induced polarization change of 0.3 μC/cm 2, a value that is 4 times larger than for the spin-flop transition at 9 T in the same material, and also comparable to the largest magnetically induced polarization changes observed to date. Via density-functional calculations we construct a full microscopic model that describes the data. We model the spin structures in all fields and clarify the physics behindmore » the 52 T transition. The high-field transition involves a competition between multiple different exchange interactions which drives the polarization change through the exchange-striction mechanism. Finally, the resultant spin structure is rather counterintuitive and complex, thus providing new insights on design principles for materials with strong magnetoelectric coupling.« less

Bio-Inspired Functional Surfaces Based on Laser-Induced Periodic Surface Structures

PubMed Central

Müller, Frank A.; Kunz, Clemens; Gräf, Stephan

2016-01-01

Nature developed numerous solutions to solve various technical problems related to material surfaces by combining the physico-chemical properties of a material with periodically aligned micro/nanostructures in a sophisticated manner. The utilization of ultra-short pulsed lasers allows mimicking numerous of these features by generating laser-induced periodic surface structures (LIPSS). In this review paper, we describe the physical background of LIPSS generation as well as the physical principles of surface related phenomena like wettability, reflectivity, and friction. Then we introduce several biological examples including e.g., lotus leafs, springtails, dessert beetles, moth eyes, butterfly wings, weevils, sharks, pangolins, and snakes to illustrate how nature solves technical problems, and we give a comprehensive overview of recent achievements related to the utilization of LIPSS to generate superhydrophobic, anti-reflective, colored, and drag resistant surfaces. Finally, we conclude with some future developments and perspectives related to forthcoming applications of LIPSS-based surfaces. PMID:28773596

Reversible switching between pressure-induced amorphization and thermal-driven recrystallization in VO2(B) nanosheets

PubMed Central

Wang, Yonggang; Zhu, Jinlong; Yang, Wenge; Wen, Ting; Pravica, Michael; Liu, Zhenxian; Hou, Mingqiang; Fei, Yingwei; Kang, Lei; Lin, Zheshuai; Jin, Changqing; Zhao, Yusheng

2016-01-01

Pressure-induced amorphization (PIA) and thermal-driven recrystallization have been observed in many crystalline materials. However, controllable switching between PIA and a metastable phase has not been described yet, due to the challenge to establish feasible switching methods to control the pressure and temperature precisely. Here, we demonstrate a reversible switching between PIA and thermally-driven recrystallization of VO2(B) nanosheets. Comprehensive in situ experiments are performed to establish the precise conditions of the reversible phase transformations, which are normally hindered but occur with stimuli beyond the energy barrier. Spectral evidence and theoretical calculations reveal the pressure–structure relationship and the role of flexible VOx polyhedra in the structural switching process. Anomalous resistivity evolution and the participation of spin in the reversible phase transition are observed for the first time. Our findings have significant implications for the design of phase switching devices and the exploration of hidden amorphous materials. PMID:27426219

Irradiation Microstructure of Austenitic Steels and Cast Steels Irradiated in the BOR-60 Reactor at 320°C

NASA Astrophysics Data System (ADS)

Yang, Yong; Chen, Yiren; Huang, Yina; Allen, Todd; Rao, Appajosula

Reactor internal components are subjected to neutron irradiation in light water reactors, and with the aging of nuclear power plants around the world, irradiation-induced material degradations are of concern for reactor internals. Irradiation-induced defects resulting from displacement damage are critical for understanding degradation in structural materials. In the present work, microstructural changes due to irradiation in austenitic stainless steels and cast steels were characterized using transmission electron microscopy. The specimens were irradiated in the BOR-60 reactor, a fast breeder reactor, up to 40 dpa at 320°C. The dose rate was approximately 9.4x10-7 dpa/s. Void swelling and irradiation defects were analyzed for these specimens. A high density of faulted loops dominated the irradiated-altered microstructures. Along with previous TEM results, a dose dependence of the defect structure was established at 320°C.

Bio-Inspired Functional Surfaces Based on Laser-Induced Periodic Surface Structures.

PubMed

Müller, Frank A; Kunz, Clemens; Gräf, Stephan

2016-06-15

Nature developed numerous solutions to solve various technical problems related to material surfaces by combining the physico-chemical properties of a material with periodically aligned micro/nanostructures in a sophisticated manner. The utilization of ultra-short pulsed lasers allows mimicking numerous of these features by generating laser-induced periodic surface structures (LIPSS). In this review paper, we describe the physical background of LIPSS generation as well as the physical principles of surface related phenomena like wettability, reflectivity, and friction. Then we introduce several biological examples including e.g., lotus leafs, springtails, dessert beetles, moth eyes, butterfly wings, weevils, sharks, pangolins, and snakes to illustrate how nature solves technical problems, and we give a comprehensive overview of recent achievements related to the utilization of LIPSS to generate superhydrophobic, anti-reflective, colored, and drag resistant surfaces. Finally, we conclude with some future developments and perspectives related to forthcoming applications of LIPSS-based surfaces.

Reversible switching between pressure-induced amorphization and thermal-driven recrystallization in VO2(B) nanosheets.

PubMed

Wang, Yonggang; Zhu, Jinlong; Yang, Wenge; Wen, Ting; Pravica, Michael; Liu, Zhenxian; Hou, Mingqiang; Fei, Yingwei; Kang, Lei; Lin, Zheshuai; Jin, Changqing; Zhao, Yusheng

2016-07-18

Pressure-induced amorphization (PIA) and thermal-driven recrystallization have been observed in many crystalline materials. However, controllable switching between PIA and a metastable phase has not been described yet, due to the challenge to establish feasible switching methods to control the pressure and temperature precisely. Here, we demonstrate a reversible switching between PIA and thermally-driven recrystallization of VO2(B) nanosheets. Comprehensive in situ experiments are performed to establish the precise conditions of the reversible phase transformations, which are normally hindered but occur with stimuli beyond the energy barrier. Spectral evidence and theoretical calculations reveal the pressure-structure relationship and the role of flexible VOx polyhedra in the structural switching process. Anomalous resistivity evolution and the participation of spin in the reversible phase transition are observed for the first time. Our findings have significant implications for the design of phase switching devices and the exploration of hidden amorphous materials.

Direct-Write Fabrication of Cellulose Nano-Structures via Focused Electron Beam Induced Nanosynthesis

PubMed Central

Ganner, Thomas; Sattelkow, Jürgen; Rumpf, Bernhard; Eibinger, Manuel; Reishofer, David; Winkler, Robert; Nidetzky, Bernd; Spirk, Stefan; Plank, Harald

2016-01-01

In many areas of science and technology, patterned films and surfaces play a key role in engineering and development of advanced materials. Here, we introduce a new generic technique for the fabrication of polysaccharide nano-structures via focused electron beam induced conversion (FEBIC). For the proof of principle, organosoluble trimethylsilyl-cellulose (TMSC) thin films have been deposited by spin coating on SiO2 / Si and exposed to a nano-sized electron beam. It turns out that in the exposed areas an electron induced desilylation reaction takes place converting soluble TMSC to rather insoluble cellulose. After removal of the unexposed TMSC areas, structured cellulose patterns remain on the surface with FWHM line widths down to 70 nm. Systematic FEBIC parameter sweeps reveal a generally electron dose dependent behavior with three working regimes: incomplete conversion, ideal doses and over exposure. Direct (FT-IR) and indirect chemical analyses (enzymatic degradation) confirmed the cellulosic character of ideally converted areas. These investigations are complemented by a theoretical model which suggests a two-step reaction process by means of TMSC → cellulose and cellulose → non-cellulose material conversion in excellent agreement with experimental data. The extracted, individual reaction rates allowed the derivation of design rules for FEBIC parameters towards highest conversion efficiencies and highest lateral resolution. PMID:27585861

Pressure-induced reversible amorphization and an amorphous–amorphous transition in Ge2Sb2Te5 phase-change memory material

PubMed Central

Sun, Zhimei; Zhou, Jian; Pan, Yuanchun; Song, Zhitang; Mao, Ho-Kwang; Ahuja, Rajeev

2011-01-01

Ge2Sb2Te5 (GST) is a technologically very important phase-change material that is used in digital versatile disks-random access memory and is currently studied for the use in phase-change random access memory devices. This type of data storage is achieved by the fast reversible phase transition between amorphous and crystalline GST upon heat pulse. Here we report pressure-induced reversible crystalline-amorphous and polymorphic amorphous transitions in NaCl structured GST by ab initio molecular dynamics calculations. We have showed that the onset amorphization of GST starts at approximately 18 GPa and the system become completely random at approximately 22 GPa. This amorphous state has a cubic framework (c-amorphous) of sixfold coordinations. With further increasing pressure, the c-amorphous transforms to a high-density amorphous structure with trigonal framework (t-amorphous) and an average coordination number of eight. The pressure-induced amorphization is investigated to be due to large displacements of Te atoms for which weak Te–Te bonds exist or vacancies are nearby. Upon decompressing to ambient conditions, the original cubic crystalline structure is restored for c-amorphous, whereas t-amorphous transforms to another amorphous phase that is similar to the melt-quenched amorphous GST. PMID:21670255

Pressure-induced reversible amorphization and an amorphous-amorphous transition in Ge₂Sb₂Te₅ phase-change memory material.

PubMed

Sun, Zhimei; Zhou, Jian; Pan, Yuanchun; Song, Zhitang; Mao, Ho-Kwang; Ahuja, Rajeev

2011-06-28

Ge(2)Sb(2)Te(5) (GST) is a technologically very important phase-change material that is used in digital versatile disks-random access memory and is currently studied for the use in phase-change random access memory devices. This type of data storage is achieved by the fast reversible phase transition between amorphous and crystalline GST upon heat pulse. Here we report pressure-induced reversible crystalline-amorphous and polymorphic amorphous transitions in NaCl structured GST by ab initio molecular dynamics calculations. We have showed that the onset amorphization of GST starts at approximately 18 GPa and the system become completely random at approximately 22 GPa. This amorphous state has a cubic framework (c-amorphous) of sixfold coordinations. With further increasing pressure, the c-amorphous transforms to a high-density amorphous structure with trigonal framework (t-amorphous) and an average coordination number of eight. The pressure-induced amorphization is investigated to be due to large displacements of Te atoms for which weak Te-Te bonds exist or vacancies are nearby. Upon decompressing to ambient conditions, the original cubic crystalline structure is restored for c-amorphous, whereas t-amorphous transforms to another amorphous phase that is similar to the melt-quenched amorphous GST.

Structural evolution under uniaxial drawing of Poly(D, L-lactide) Films

NASA Astrophysics Data System (ADS)

Stoclet, Grégory; Lefebvre, Jean-Marc; Seguela, Roland

2009-03-01

Aliphatic polyesters are an important class of biodegradable polymers. They have drawn particular attention in the last few years as food packaging materials because they can be derived from renewable resources. Among this family, polylactide (PLA) is considered as one of the most promising ``green'' polymer for use as a substitute to petroleum-based polymers. In the present work, we investigate the mechanical behaviour of amorphous poly(D, L-lactide) films in relation to the structural evolution upon stretching at various draw temperatures (Td) above the glass transition temperature. Examination of the drawing behaviour shows that PLA initially behaves like a rubbery material until a true strain of the order of 1. Strain hardening occurs beyond this strain level, up to film fracture. Such strain hardening is generally ascribed to a strain induced crystallization phenomenon. In the present case, it is clearly more pronounced for Td = 90 C than for Td = 70 C. The corresponding structural evolutions are investigated by means of WAXS. The diffraction patterns reveal the marked influence of draw temperature. Indeed for Td = 70 C a mesophase is induced whereas strain-induced crystallisation takes place at Td = 90 C. Further work is in progress, in order to elucidate mesophase development and mechanical response.

Structural defect accumulation in tungsten and tungsten-5wt.% tantalum under incremental proton damage

NASA Astrophysics Data System (ADS)

Ipatova, I.; Harrison, R. W.; Wady, P. T.; Shubeita, S. M.; Terentyev, D.; Donnelly, S. E.; Jimenez-Melero, E.

2018-04-01

We have performed proton irradiation of W and W-5wt.%Ta materials at 350 °C with a step-wise damage level increase up to 0.7 dpa and using two beam energies, namely 40 keV and 3 MeV, in order to probe the accumulation of radiation-induced lattice damage in these materials. Interstitial-type a/2 <111> dislocation loops are formed under irradiation, and their size increases in W-5Ta up to a loop width of 21 ± 4 nm at 0.3 dpa, where loop saturation takes place. In contrast, the loop length in W increases progressively up to 183 ± 50 nm at 0.7 dpa, whereas the loop width remains relatively constant at 29 ± 7 nm at >0.3 dpa, giving rise to dislocation strings. The dislocation loops and tangles are observed in both materials examined after a 3 MeV proton irradiation at 350 °C. Ta doping delays the evolution of radiation-induced dislocation structures in W, and can consequently impact the hydrogen isotope retention under plasma exposure.

Structural materials for Gen-IV nuclear reactors: Challenges and opportunities

NASA Astrophysics Data System (ADS)

Murty, K. L.; Charit, I.

2008-12-01

Generation-IV reactor design concepts envisioned thus far cater toward a common goal of providing safer, longer lasting, proliferation-resistant and economically viable nuclear power plants. The foremost consideration in the successful development and deployment of Gen-IV reactor systems is the performance and reliability issues involving structural materials for both in-core and out-of-core applications. The structural materials need to endure much higher temperatures, higher neutron doses and extremely corrosive environment, which are beyond the experience of the current nuclear power plants. Materials under active consideration for use in different reactor components include various ferritic/martensitic steels, austenitic stainless steels, nickel-base superalloys, ceramics, composites, etc. This paper presents a summary of various Gen-IV reactor concepts, with emphasis on the structural materials issues depending on the specific application areas. This paper also discusses the challenges involved in using the existing materials under both service and off-normal conditions. Tasks become increasingly complex due to the operation of various fundamental phenomena like radiation-induced segregation, radiation-enhanced diffusion, precipitation, interactions between impurity elements and radiation-produced defects, swelling, helium generation and so forth. Further, high temperature capability (e.g. creep properties) of these materials is a critical, performance-limiting factor. It is demonstrated that novel alloy and microstructural design approaches coupled with new materials processing and fabrication techniques may mitigate the challenges, and the optimum system performance may be achieved under much demanding conditions.

High Electron Mobility and Disorder Induced by Silver Ion Migration Lead to Good Thermoelectric Performance in the Argyrodite Ag 8 SiSe 6

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heep, Barbara K.; Weldert, Kai S.; Krysiak, Yasar

Superionic chalcopyrites have recently attracted interest in their use as potential thermoelectric materials because of extraordinary low thermal conductivities. To overcome long-term stability issues in thermoelectric generators using superionic materials at evaluated temperatures, materials need to be found that show good thermoelectric performance at moderate temperatures. Here, we present the structural and thermoelectric properties of the argyrodite Ag 8SiSe 6, which exhibits promising thermoelectric performance close to room temperature.

Optimization of flexible wing structures subject to strength and induced drag constraints

NASA Technical Reports Server (NTRS)

Haftka, R. T.

1977-01-01

An optimization procedure for designing wing structures subject to stress, strain, and drag constraints is presented. The optimization method utilizes an extended penalty function formulation for converting the constrained problem into a series of unconstrained ones. Newton's method is used to solve the unconstrained problems. An iterative analysis procedure is used to obtain the displacements of the wing structure including the effects of load redistribution due to the flexibility of the structure. The induced drag is calculated from the lift distribution. Approximate expressions for the constraints used during major portions of the optimization process enhance the efficiency of the procedure. A typical fighter wing is used to demonstrate the procedure. Aluminum and composite material designs are obtained. The tradeoff between weight savings and drag reduction is investigated.

Modeling of intense pulsed ion beam heated masked targets for extreme materials characterization

DOE PAGES

Barnard, John J.; Schenkel, Thomas

2017-11-15

Intense, pulsed ion beams locally heat materials and deliver dense electronic excitations that can induce material modifications and phase transitions. Material properties can potentially be stabilized by rapid quenching. Pulsed ion beams with pulse lengths of order ns have recently become available for materials processing. Here, we optimize mask geometries for local modification of materials by intense ion pulses. The goal is to rapidly excite targets volumetrically to the point where a phase transition or local lattice reconstruction is induced followed by rapid cooling that stabilizes desired material's properties fast enough before the target is altered or damaged by, e.g.,more » hydrodynamic expansion. By using a mask, the longitudinal dimension can be large compared to the transverse dimension, allowing the possibility of rapid transverse cooling. We performed HYDRA simulations that calculate peak temperatures for a series of excitation conditions and cooling rates of silicon targets with micro-structured masks and compare these to a simple analytical model. In conclusion, the model gives scaling laws that can guide the design of targets over a wide range of pulsed ion beam parameters.« less

Modeling of intense pulsed ion beam heated masked targets for extreme materials characterization

NASA Astrophysics Data System (ADS)

Barnard, John J.; Schenkel, Thomas

2017-11-01

Intense, pulsed ion beams locally heat materials and deliver dense electronic excitations that can induce material modifications and phase transitions. Material properties can potentially be stabilized by rapid quenching. Pulsed ion beams with pulse lengths of order ns have recently become available for materials processing. Here, we optimize mask geometries for local modification of materials by intense ion pulses. The goal is to rapidly excite targets volumetrically to the point where a phase transition or local lattice reconstruction is induced followed by rapid cooling that stabilizes desired material's properties fast enough before the target is altered or damaged by, e.g., hydrodynamic expansion. By using a mask, the longitudinal dimension can be large compared to the transverse dimension, allowing the possibility of rapid transverse cooling. We performed HYDRA simulations that calculate peak temperatures for a series of excitation conditions and cooling rates of silicon targets with micro-structured masks and compare these to a simple analytical model. The model gives scaling laws that can guide the design of targets over a wide range of pulsed ion beam parameters.

Nano-material aspects of shock absorption in bone joints.

PubMed

Tributsch, H; Copf, F; Copf, P; Hindenlang, U; Niethard, F U; Schneider, R

2010-01-01

This theoretical study is based on a nano-technological evaluation of the effect of pressure on the composite bone fine structure. It turned out, that the well known macroscopic mechano-elastic performance of bones in combination with muscles and tendons is just one functional aspect which is critically supported by additional micro- and nano- shock damping technology aimed at minimising local bone material damage within the joints and supporting spongy bone material. The identified mechanisms comprise essentially three phenomena localised within the three-dimensional spongy structure with channels and so called perforated flexible tensulae membranes of different dimensions intersecting and linking them. Kinetic energy of a mechanical shock may be dissipated within the solid-liquid composite bone structure into heat via the generation of quasi-chaotic hydromechanic micro-turbulence. It may generate electro-kinetic energy in terms of electric currents and potentials. And the resulting specific structural and surface electrochemical changes may induce the compressible intra-osseal liquid to build up pressure dependent free chemical energy. Innovative bone joint prostheses will have to consider and to be adapted to the nano-material aspects of shock absorption in the operated bones.

Insights into material and structural basis of bone fragility from diseases associated with fractures: how determinants of the biomechanical properties of bone are compromised by disease.

PubMed

Chavassieux, P; Seeman, E; Delmas, P D

2007-04-01

Minimal trauma fractures in bone diseases are the result of bone fragility. Rather than considering bone fragility as being the result of a reduced amount of bone, we recognize that bone fragility is the result of changes in the material and structural properties of bone. A better understanding of the contribution of each component of the material composition and structure and how these interact to maintain whole bone strength is obtained by the study of metabolic bone diseases. Disorders of collagen (osteogenesis imperfecta and Paget's disease of bone), mineral content, composition and distribution (fluorosis and osteomalacia); diseases of high remodeling (postmenopausal osteoporosis, hyperparathyroidism, and hyperthyroidism) and low remodeling (osteopetrosis, pycnodysostosis); and other diseases (idiopathic male osteoporosis, corticosteroid-induced osteoporosis) produce abnormalities in the material composition and structure that lead to bone fragility. Observations in patients and in animal models provide insights on the biomechanical consequences of these illnesses and the nature of the qualities of bone that determine its strength.

A Suite of Tetraphenylethylene-Based Discrete Organoplatinum(II) Metallacycles: Controllable Structure and Stoichiometry, Aggregation-Induced Emission, and Nitroaromatics Sensing.

PubMed

Yan, Xuzhou; Wang, Haoze; Hauke, Cory E; Cook, Timothy R; Wang, Ming; Saha, Manik Lal; Zhou, Zhixuan; Zhang, Mingming; Li, Xiaopeng; Huang, Feihe; Stang, Peter J

2015-12-09

Materials that organize multiple functionally active sites, especially those with aggregation-induced emission (AIE) properties, are of growing interest due to their widespread applications. Despite promising early architectures, the fabrication and preparation of multiple AIEgens, such as multiple tetraphenylethylene (multi-TPE) units, in a single entity remain a big challenge due to the tedious covalent synthetic procedures often accompanying such preparations. Coordination-driven self-assembly is an alternative synthetic methodology with the potential to deliver multi-TPE architectures with light-emitting characteristics. Herein, we report the preparation of a new family of discrete multi-TPE metallacycles in which two pendant phenyl rings of the TPE units remain unused as a structural element, representing novel AIE-active metal-organic materials based on supramolecular coordination complex platforms. These metallacycles possess relatively high molar absorption coefficients but weak fluorescent emission under dilute conditions because of the ability of the untethered phenyl rings to undergo torsional motion as a non-radiative decay pathway. Upon molecular aggregation, the multi-TPE metallacycles show AIE-activity with markedly enhanced quantum yields. Moreover, on account of their AIE characteristics in the condensed state and ability to interact with electron-deficient substrates, the photophysics of these metallacycles is sensitive to the presence of nitroaromatics, motivating their use as sensors. This work represents a unification of themes including molecular self-assembly, AIE, and fluorescence sensing and establishes structure-property-application relationships of multi-TPE scaffolds. The fundamental knowledge obtained from the current research facilitates progress in the field of metal-organic materials, metal-coordination-induced emission, and fluorescent sensing.

Size-induced axial band structure and directional flow of a ternary-size granular material in a 3-D horizontal rotating drum

NASA Astrophysics Data System (ADS)

Yang, Shiliang; Sun, Yuhao; Ma, Honghe; Chew, Jia Wei

2018-05-01

Differences in the material property of the granular material induce segregation which inevitably influences both natural and industrial processes. To understand the dynamical segregation behavior, the band structure, and also the spatial redistribution of particles induced by the size differences of the particles, a ternary-size granular mixture in a three-dimensional rotating drum operating in the rolling flow regime is numerically simulated using the discrete element method. The results demonstrate that (i) the axial bands of the medium particles are spatially sandwiched in between those of the large and small ones; (ii) the total mass in the active and passive regions is a global parameter independent of segregation; (iii) nearly one-third of all the particles are in the active region, with the small particles having the highest mass fraction; (iv) the axial bands initially appear near the end wall, then become wider and purer in the particular species with time as more axial bands form toward the axial center; and (v) the medium particle type exhibits segregation later and has the narrowest axial bandwidth and least purity in the bands. Compared to the binary-size system, the presence of the medium particle type slightly increases the total mass in the active region, leads to larger mass fractions of the small and large particle types in the active region, and enhances the axial segregation in the system. The results obtained in the current work provide valuable insights regarding size segregation, and band structure and formation in the rotating drum with polydisperse particles.

Multiscale modelling and experimentation of hydrogen embrittlement in aerospace materials

NASA Astrophysics Data System (ADS)

Jothi, Sathiskumar

Pulse plated nickel and nickel based superalloys have been used extensively in the Ariane 5 space launcher engines. Large structural Ariane 5 space launcher engine components such as combustion chambers with complex microstructures have usually been manufactured using electrodeposited nickel with advanced pulse plating techniques with smaller parts made of nickel based superalloys joined or welded to the structure to fabricate Ariane 5 space launcher engines. One of the major challenges in manufacturing these space launcher components using newly developed materials is a fundamental understanding of how different materials and microstructures react with hydrogen during welding which can lead to hydrogen induced cracking. The main objective of this research has been to examine and interpret the effects of microstructure on hydrogen diffusion and hydrogen embrittlement in (i) nickel based superalloy 718, (ii) established and (iii) newly developed grades of pulse plated nickel used in the Ariane 5 space launcher engine combustion chamber. Also, the effect of microstructures on hydrogen induced hot and cold cracking and weldability of three different grades of pulse plated nickel were investigated. Multiscale modelling and experimental methods have been used throughout. The effect of microstructure on hydrogen embrittlement was explored using an original multiscale numerical model (exploiting synthetic and real microstructures) and a wide range of material characterization techniques including scanning electron microscopy, 2D and 3D electron back scattering diffraction, in-situ and ex-situ hydrogen charged slow strain rate tests, thermal spectroscopy analysis and the Varestraint weldability test. This research shows that combined multiscale modelling and experimentation is required for a fundamental understanding of microstructural effects in hydrogen embrittlement in these materials. Methods to control the susceptibility to hydrogen induced hot and cold cracking and to improve the resistance to hydrogen embrittlement in aerospace materials are also suggested. This knowledge can play an important role in the development of new hydrogen embrittlement resistant materials. A novel micro/macro-scale coupled finite element method incorporating multi-scale experimental data is presented with which it is possible to perform full scale component analyses in order to investigate hydrogen embrittlement at the design stage. Finally, some preliminary and very encouraging results of grain boundary engineering based techniques to develop alloys that are resistant to hydrogen induced failure are presented. Keywords: Hydrogen embrittlement; Aerospace materials; Ariane 5 combustion chamber; Pulse plated nickel; Nickel based super alloy 718; SSRT test; Weldability test; TDA; SEM/EBSD; Hydrogen induced hot and cold cracking; Multiscale modelling and experimental methods.

Surface studies of solids using integral x-ray-induced photoemission yield

DOE PAGES

Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

2016-11-22

X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permitmore » extraction of thicknesses of individual layers. The approach does not require detection of the reflected radiation and can be considered as a framework for non-invasive evaluation of buried layers with hard X-rays under grazing incidence.« less

Surface studies of solids using integral X-ray-induced photoemission yield

PubMed Central

Stoupin, Stanislav; Zhernenkov, Mikhail; Shi, Bing

2016-01-01

X-ray induced photoemission yield contains structural information complementary to that provided by X-ray Fresnel reflectivity, which presents an advantage to a wide variety of surface studies if this information is made easily accessible. Photoemission in materials research is commonly acknowledged as a method with a probing depth limited by the escape depth of the photoelectrons. Here we show that the integral hard-X-ray-induced photoemission yield is modulated by the Fresnel reflectivity of a multilayer structure and carries structural information that extends well beyond the photoelectron escape depth. A simple electric self-detection of the integral photoemission yield and Fourier data analysis permit extraction of thicknesses of individual layers. The approach does not require detection of the reflected radiation and can be considered as a framework for non-invasive evaluation of buried layers with hard X-rays under grazing incidence. PMID:27874041

Liquid-induced colour change in a beetle: the concept of a photonic cell.

PubMed

Mouchet, Sébastien R; Van Hooijdonk, Eloise; Welch, Victoria L; Louette, Pierre; Colomer, Jean-François; Su, Bao-Lian; Deparis, Olivier

2016-01-13

The structural colour of male Hoplia coerulea beetles is notable for changing from blue to green upon contact with water. In fact, reversible changes in both colour and fluorescence are induced in this beetle by various liquids, although the mechanism has never been fully explained. Changes enacted by water are much faster than those by ethanol, in spite of ethanol's more rapid spread across the elytral surface. Moreover, the beetle's photonic structure is enclosed by a thin scale envelope preventing direct contact with the liquid. Here, we note the presence of sodium, potassium and calcium salts in the scale material that mediate the penetration of liquid through putative micropores. The result leads to the novel concept of a "photonic cell": namely, a biocompatible photonic structure that is encased by a permeable envelope which mediates liquid-induced colour changes in that photonic structure. Engineered photonic cells dispersed in culture media could revolutionize the monitoring of cell-metabolism.

Liquid-induced colour change in a beetle: the concept of a photonic cell

PubMed Central

Mouchet, Sébastien R.; Van Hooijdonk, Eloise; Welch, Victoria L.; Louette, Pierre; Colomer, Jean-François; Su, Bao-Lian; Deparis, Olivier

2016-01-01

The structural colour of male Hoplia coerulea beetles is notable for changing from blue to green upon contact with water. In fact, reversible changes in both colour and fluorescence are induced in this beetle by various liquids, although the mechanism has never been fully explained. Changes enacted by water are much faster than those by ethanol, in spite of ethanol’s more rapid spread across the elytral surface. Moreover, the beetle’s photonic structure is enclosed by a thin scale envelope preventing direct contact with the liquid. Here, we note the presence of sodium, potassium and calcium salts in the scale material that mediate the penetration of liquid through putative micropores. The result leads to the novel concept of a “photonic cell”: namely, a biocompatible photonic structure that is encased by a permeable envelope which mediates liquid-induced colour changes in that photonic structure. Engineered photonic cells dispersed in culture media could revolutionize the monitoring of cell-metabolism. PMID:26758681

A template-free solvent-mediated synthesis of high surface area boron nitride nanosheets for aerobic oxidative desulfurization

DOE PAGES

Wu, Peiwen; Zhu, Wenshuai; Chao, Yanhong; ...

2015-10-16

Hexagonal boron nitride nanosheets (h-BNNs) with rather high specific surface area (SSA) are important two-dimensional layer-structured materials. Here in this study, a solvent-mediated synthesis of h-BNNs revealed a template-free lattice plane control strategy that induced high SSA nanoporous structured h-BNNs with outstanding aerobic oxidative desulfurization performance.

Effects of Structural and Electronic Disorder in Topological Insulator Sb2Te3 Thin Films

NASA Astrophysics Data System (ADS)

Korzhovska, Inna

Topological quantum matter is a unique and potentially transformative protectorate against disorder-induced backscattering. The ultimate disorder limits to the topological state, however, are still not known - understanding these limits is critical to potential applications in the fields of spintronics and information processing. In topological insulators spin-orbit interaction and time-reversal-symmetry invariance guarantees - at least up to a certain disorder strength - that charge transport through 2D gapless Dirac surface states is robust against backscattering by non-magnetic disorder. Strong disorder may destroy topological protection and gap out Dirac surface states, although recent theories predict that under severe electronic disorder a quantized topological conductance might yet reemerge. Very strong electronic disorder, however, is not trivial to install and quantify, and topological matter under such conditions thus far has not been experimentally tested. This thesis addresses the behavior of three-dimensional (3D) topological insulator (TI) films in a wide range of structural and electronic disorder. We establish strong positional disorder in thin (20-50 nm) Sb2Te 3 films, free of extrinsic magnetic dopants. Sb 2Te3 is a known 2nd generation topological insulator in the low-disorder crystalline state. It is also a known phase-change material that undergoes insulator-to-metal transition with the concurrent orders of magnitude resistive drop, where a huge range of disorder could be controllably explored. In this work we show that even in the absence of magnetic dopants, disorder may induce spin correlations detrimental to the topological state. Chapter 1 contains a brief introduction to the topological matter and describes the role played by disorder. This is followed by theory considerations and a survey of prior experimental work. Next we describe the motivation for our experiments and explain the choice of the material. Chapter 2 describes deposition techniques used for material growth, including the parameters significance and effects on the material properties. Chapter 3 describes structural and electrical characterization techniques employed in the work. In Chapter 4-5 we discuss the experimental results. Sb2Te 3 films at extreme disorder, where spin correlations dominate the transport of charge, are discussed in Chapter 4. We employ transport measurements as our main tool to explore disorder-induced changes in the Sb2Te 3. In addition we directly detect disorder-induced spin response in thin Sb2Te3 films free of extrinsic magnetic dopants; it onsets at a surprisingly high temperature ( 200 K) and vanishes when disorder is reduced. Localized spins control the hopping (tunneling) transport through spin memory induced by the non-equilibrium charge currents. The observed spin-memory phenomenon emerges as negative magnetoresistance distinct from orbital quantum interference effects. The hopping mechanism and spin correlations dominate transport over an extensive disorder range. Spin correlations are eventually suppressed by the restoration of positional order in the (bulk) crystalline state, implying a disorder threshold to the topological state. As disorder is reduced the material undergoes structural and electronic transitions, which are discussed in Chapter 5. We obtain a number of characteristic attributes that change sharply at the structural and electronic transitions: localization length, dimensionality, and the nature of conductance. Structural transition is clearly seen in the changes in lattice vibrations tracked by Raman spectroscopy, which we use here as a metric of disorder. The significance of the disorder-induced localization transition is discussed. Next we investigate the effects of structural and electronic disorder on the bulk and surfaces in the crystalline state of Sb2Te3. The nontrivial topology of this strongly spin-orbit coupled material comes from the band inversion in the bulk. One of the key transport signatures of topological surfaces is weak antilocalization (WAL) correction to conductivity; it is associated with the topological pi Berry phase and should display a two-dimensional (2D) character. In our work, we establish the disorder level at which 2D WAL appears. The conduction at this threshold is one conduction quantum G0; it corresponds to the topological quantum channel. Finally, we summarize our key findings and discuss open questions and next steps toward the understanding of disorder-induced correlations in the spin and charge channels that can alter the emergent behaviors of the topological states.

Pressure induced phase transitions in ceramic compounds containing tetragonal zirconia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sparks, R.G.; Pfeiffer, G.; Paesler, M.A.

Stabilized tetragonal zirconia compounds exhibit a transformation toughening process in which stress applied to the material induces a crystallographic phase transition. The phase transition is accompanied by a volume expansion in the stressed region thereby dissipating stress and increasing the fracture strength of the material. The hydrostatic component of the stress required to induce the phase transition can be investigated by the use of a high pressure technique in combination with Micro-Raman spectroscopy. The intensity of Raman lines characteristic for the crystallographic phases can be used to calculate the amount of material that has undergone the transition as a functionmore » of pressure. It was found that pressures on the order of 2-5 kBar were sufficient to produce an almost complete transition from the original tetragonal to the less dense monoclinic phase; while a further increase in pressure caused a gradual reversal of the transition back to the original tetragonal structure.« less

Optical properties modification induced by laser radiation in noble-metal-doped glasses

NASA Astrophysics Data System (ADS)

Nedyalkov, N.; Stankova, N. E.; Koleva, M. E.; Nikov, R.; Atanasov, P.; Grozeva, M.; Iordanova, E.; Yankov, G.; Aleksandrov, L.; Iordanova, R.; Karashanova, D.

2018-03-01

We present results on laser-induced color changes in gold- and silver-doped glass. The doped borosilicate glass was prepared by conventional melt quenching. The study was focused on the change of the optical properties after irradiation of the glass by femtosecond laser pulses. Under certain conditions, the laser radiation induces defects associated with formation of color centers in the material. We studied this process in a broad range of laser radiation wavelengths – from UV to IR, and observed changes in the color of the irradiated areas after annealing of the processed glass samples, the color being red for the gold-doped glass red and yellow for the silver-doped glass. The structural and morphological analyses performed indicated that this effect is related to formation of metal nanoparticles inside the material. The results obtained show that femtosecond laser processing of noble-metal-doped glasses can be used for fabrication of 3D-nanoparticles systems in transparent materials with application as novel optical components.

Nucleolar changes after microinjection of antibodies to RNA polymerase I into the nucleus of mammalian cells.

PubMed

Benavente, R; Reimer, G; Rose, K M; Hügle-Dörr, B; Scheer, U

1988-01-01

After microinjection of antibodies against RNA polymerase I into the nuclei of cultured rat kangaroo (PtK2) and rat (RVF-SMC) cells alterations in nucleolar structure and composition were observed. These were detected by electron microscopy and double-label immunofluorescence microscopy using antibodies to proteins representative of the three major components of the nucleolus. The microinjected antibodies produced a progressive loss of the material of the dense fibrillar component (DFC) from the nucleoli which, at 4 h after injection, were transformed into bodies with purely granular component (GC) structure with attached fibrillar centers (FCs). Concomitantly, numerous extranucleolar aggregates appeared in the nucleoplasm which morphologically resembled fragments of the DFC and contained a protein (fibrillarin) diagnostic for this nucleolar structure. These observations indicate that the topological distribution of the material constituting the DFC can be experimentally influenced in interphase cells, apparently by modulating the transcriptional activity of the rRNA genes. These effects are different from nucleolar lesions induced by inhibitory drugs such as actinomycin D-dependent "nucleolar segregation". The structural alterations induced by antibodies to RNA polymerase I resemble, however, the initial events of nucleolar disintegration during mitotic prophase.

Sustainability of transportation structures using composite materials to support trade and growth.

DOT National Transportation Integrated Search

2014-06-01

Corrosion-induced deterioration of steel rebar is one of the main reasons for repair and rehabilitation programs : for conventional steel-reinforced concrete bridge decks. According to the National Association of Corrosion Engineers : (NACE), of all ...

Milling induced amorphisation and recrystallization of α-lactose monohydrate.

PubMed

Badal Tejedor, Maria; Pazesh, Samaneh; Nordgren, Niklas; Schuleit, Michael; Rutland, Mark W; Alderborn, Göran; Millqvist-Fureby, Anna

2018-02-15

Preprocessing of pharmaceutical powders is a common procedure to condition the materials for a better manufacturing performance. However, such operations may induce undesired material properties modifications when conditioning particle size through milling, for example. Modification of both surface and bulk material structure will change the material properties, thus affecting the processability of the powder. Hence it is essential to control the material transformations that occur during milling. Topographical and mechanical changes in surface properties can be a preliminary indication of further material transformations. Therefore a surface evaluation of the α-lactose monohydrate after short and prolonged milling times has been performed. Unprocessed α-lactose monohydrate and spray dried lactose were evaluated in parallel to the milled samples as reference examples of the crystalline and amorphous lactose structure. Morphological differences between unprocessed α-lactose, 1 h and 20 h milled lactose and spray dried lactose were detected from SEM and AFM images. Additionally, AFM was used to simultaneously characterize particle surface amorphicity by measuring energy dissipation. Extensive surface amorphicity was detected after 1 h of milling while prolonged milling times showed only a moderate particle surface amorphisation. Bulk material characterization performed with DSC indicated a partial amorphicity for the 1 h milled lactose and a fully amorphous thermal profile for the 20 h milled lactose. The temperature profiles however, were shifted somewhat in the comparison to the amorphous reference, particularly after extended milling, suggesting a different amorphous state compared to the spray-dried material. Water loss during milling was measured with TGA, showing lower water content for the lactose amorphized through milling compared to spray dried amorphous lactose. The combined results suggest a surface-bulk propagation of the amorphicity during milling in combination with a different amorphous structural conformation to that of the amorphous spray dried lactose. The hardened surface may be due to either surface crystallization of lactose or to formation of a low-water glass transition. Copyright © 2017 Elsevier B.V. All rights reserved.

Linking process and structure in the friction stir scribe joining of dissimilar materials: A computational approach with experimental support

DOE PAGES

Gupta, Varun; Upadhyay, Piyush; Fifield, Leonard S.; ...

2018-04-04

We present that friction stir welding (FSW) is a popular technique to join dissimilar materials in numerous applications. The solid state nature of the process enables joining materials with strikingly different physical properties. For welds in lap configuration, an enhancement to this technology is made by introducing a short, hard insert, referred to as a cutting-scribe, at the bottom of the tool pin. The cutting-scribe induces deformation in the bottom plate which leads to the formation of mechanical interlocks or hook like structures at the interface of two materials. A thermo-mechanical computational model employing a coupled Eulerian-Lagrangian approach is developedmore » to quantitatively capture the morphology of these interlocks during the FSW process. Simulations using this model are validated by experimental observations. In conclusion, the identified interface morphology coupled with the predicted temperature field from this process–structure model can be used to estimate the post-weld microstructure and joint strength.« less

Linking process and structure in the friction stir scribe joining of dissimilar materials: A computational approach with experimental support

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, Varun; Upadhyay, Piyush; Fifield, Leonard S.

The friction stir welding (FSW) is a popular technique to join dissimilar materials in numerous applications. The solid state nature of the process enables joining materials with strikingly different physical properties. For the welds in lap configuration, an enhancement to this technology is made by introducing a short hard insert, referred to as cutting-scribe, at the bottom of the tool pin. The cutting-scribe induces deformation in the bottom plate which leads to the formation of mechanical interlocks or hook like structures at the interface of two materials. A thermo-mechanically coupled computational model employing coupled Eulerian-Lagrangian approach is developed to quantitativelymore » capture the morphology of these interlocks during the FSW process. The simulations using developed model are validated by the experimental observations.The identified interface morphology coupled with the predicted temperature field from this process-structure model can then be used to estimate the post-weld microstructure and joint strength.« less

Linking process and structure in the friction stir scribe joining of dissimilar materials: A computational approach with experimental support

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, Varun; Upadhyay, Piyush; Fifield, Leonard S.

We present that friction stir welding (FSW) is a popular technique to join dissimilar materials in numerous applications. The solid state nature of the process enables joining materials with strikingly different physical properties. For welds in lap configuration, an enhancement to this technology is made by introducing a short, hard insert, referred to as a cutting-scribe, at the bottom of the tool pin. The cutting-scribe induces deformation in the bottom plate which leads to the formation of mechanical interlocks or hook like structures at the interface of two materials. A thermo-mechanical computational model employing a coupled Eulerian-Lagrangian approach is developedmore » to quantitatively capture the morphology of these interlocks during the FSW process. Simulations using this model are validated by experimental observations. In conclusion, the identified interface morphology coupled with the predicted temperature field from this process–structure model can be used to estimate the post-weld microstructure and joint strength.« less

Optical transmission radiation damage and recovery stimulation of DSB: Ce3+ inorganic scintillation material

NASA Astrophysics Data System (ADS)

Borisevich, A.; Dormenev, V.; Korjik, M.; Kozlov, D.; Mechinsky, V.; Novotny, R. W.

2015-02-01

Recently, a new scintillation material DSB: Ce3+ was announced. It can be produced in a form of glass or nano-structured glass ceramics with application of standard glass production technology with successive thermal annealing. When doped with Ce3+, material can be applied as scintillator. Light yield of scintillation is near 100 phe/MeV. Un-doped material has a wide optical window from 4.5eV and can be applied to detect Cherenkov light. Temperature dependence of the light yield LY(T) is 0.05% which is 40 times less than in case of PWO. It can be used for detectors tolerant to a temperature variation between -20° to +20°C. Several samples with dimensions of 15x15x7 mm3 have been tested for damage effects on the optical transmission under irradiation with γ-quanta. It was found that the induced absorption in the scintillation range depends on the doping concentration and varies in range of 0.5-7 m-1. Spontaneous recovery of induced absorption has fast initial component. Up to 25% of the damaged transmission is recuperated in 6 hours. Afterwards it remains practically constant if the samples are kept in the dark. However, induced absorption is reduced by a factor of 2 by annealing at 50°C and completely removed in a short time when annealing at 100°C. A significant acceleration of the induced absorption recovery is observed by illumination with visible and IR light. This effect is observed for the first time in a Ce-doped scintillation material. It indicates, that radiation induced absorption in DSB: Ce scintillation material can be retained at the acceptable level by stimulation with light in a strong irradiation environment of collider experiments.

Mulifunctional Dendritic Emitter: Aggregation-Induced Emission Enhanced, Thermally Activated Delayed Fluorescent Material for Solution-Processed Multilayered Organic Light-Emitting Diodes

PubMed Central

Matsuoka, Kenichi; Albrecht, Ken; Yamamoto, Kimihisa; Fujita, Katsuhiko

2017-01-01

Thermally activated delayed fluorescence (TADF) materials emerged as promising light sources in third generation organic light-emitting diodes (OLED). Much effort has been invested for the development of small molecular TADF materials and vacuum process-based efficient TADF-OLEDs. In contrast, a limited number of solution processable high-molecular weight TADF materials toward low cost, large area, and scalable manufacturing of solution processed TADF-OLEDs have been reported so far. In this context, we report benzophenone-core carbazole dendrimers (GnB, n = generation) showing TADF and aggregation-induced emission enhancement (AIEE) properties along with alcohol resistance enabling further solution-based lamination of organic materials. The dendritic structure was found to play an important role for both TADF and AIEE activities in the neat films. By using these multifunctional dendritic emitters as non-doped emissive layers, OLED devices with fully solution processed organic multilayers were successfully fabricated and achieved maximum external quantum efficiency of 5.7%. PMID:28139768

Mulifunctional Dendritic Emitter: Aggregation-Induced Emission Enhanced, Thermally Activated Delayed Fluorescent Material for Solution-Processed Multilayered Organic Light-Emitting Diodes

NASA Astrophysics Data System (ADS)

Matsuoka, Kenichi; Albrecht, Ken; Yamamoto, Kimihisa; Fujita, Katsuhiko

2017-01-01

Thermally activated delayed fluorescence (TADF) materials emerged as promising light sources in third generation organic light-emitting diodes (OLED). Much effort has been invested for the development of small molecular TADF materials and vacuum process-based efficient TADF-OLEDs. In contrast, a limited number of solution processable high-molecular weight TADF materials toward low cost, large area, and scalable manufacturing of solution processed TADF-OLEDs have been reported so far. In this context, we report benzophenone-core carbazole dendrimers (GnB, n = generation) showing TADF and aggregation-induced emission enhancement (AIEE) properties along with alcohol resistance enabling further solution-based lamination of organic materials. The dendritic structure was found to play an important role for both TADF and AIEE activities in the neat films. By using these multifunctional dendritic emitters as non-doped emissive layers, OLED devices with fully solution processed organic multilayers were successfully fabricated and achieved maximum external quantum efficiency of 5.7%.

Pressure-induced electronic topological transitions in the charge-density-wave material In 4 Se 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Yuhang; Song, Liyan; Shao, Xuecheng

2017-08-01

High-pressure in situ angle dispersive X-ray diffraction (ADXRD) measurements were performed on the charge-density-wave (CDW) material In4Se3 up to 48.8 GPa. Pressure-induced structural changes were observed at 7.0 and 34.2 GPa, respectively. Using the CALYPSO methodology, the first high-pressure phase was solved as an exotic Pca21 structure. The compressional behaviors of the initial Pnnm and the Pca21 phases were all determined. Combined with first-principle calculations, we find that, unexpectedly, the Pnnm phase probably experiences twice electronic topological transitions (ETTs), from the initial possible CDW state to a semimetallic state at about 2.3 GPa and then back to a possible CDWmore » state at around 3.5 GPa, which was uncovered for the first time in CDW systems. In the both possible CDW states, pressure provokes a decrease of band-gap. The observation of a bulk metallic state was ascribed to structural transition to the Pca21 phase. Besides, based on electronic band structure calculations, the thermoelectric property of the Pnnm phase under compression was discussed. Our results show that pressure play a dramatic role in tuning In4Se3's structure and transport properties.« less

Research on Aero-Thermodynamic Distortion Induced Structural Dynamic Response of Multistage Compressor Blading

DTIC Science & Technology

1992-03-01

of realistic reduced frequency values for the ftost time. 14. SUIUECT TEIEMS IS. NUMBER OF PAGES Unsteady Aerodynamic, 143 Flow Induced Vibrations 16...Flat Plate APPENDIX X. Prediction of Turbulence Generated Random Vibrational 106 Response of Turbomachinery Blading 3 APPENDIX XI. Viscous Oscillating...failure is fatigue caused by vibrations at levels exceeding3 material endurance limits. These vibrations occur when a periodic forcing function, with

Density functional calculations on structural materials for nuclear energy applications and functional materials for photovoltaic energy applications (abstract only).

PubMed

Domain, C; Olsson, P; Becquart, C S; Legris, A; Guillemoles, J F

2008-02-13

Ab initio density functional theory calculations are carried out in order to predict the evolution of structural materials under aggressive working conditions such as cases with exposure to corrosion and irradiation, as well as to predict and investigate the properties of functional materials for photovoltaic energy applications. Structural metallic materials used in nuclear facilities are subjected to irradiation which induces the creation of large amounts of point defects. These defects interact with each other as well as with the different elements constituting the alloys, which leads to modifications of the microstructure and the mechanical properties. VASP (Vienna Ab initio Simulation Package) has been used to determine the properties of point defect clusters and also those of extended defects such as dislocations. The resulting quantities, such as interaction energies and migration energies, are used in larger scale simulation methods in order to build predictive tools. For photovoltaic energy applications, ab initio calculations are used in order to search for new semiconductors and possible element substitutions for existing ones in order to improve their efficiency.

Development of functional materials by using ultrafast laser pulses

NASA Astrophysics Data System (ADS)

Shimotsuma, Y.; Sakakura, M.; Miura, K.

2018-01-01

The polarization-dependent periodic nanostructures inside various materials are successfully induced by ultrafast laser pulses. The periodic nanostructures in various materials can be empirically classified into the following three types: (1) structural deficiency, (2) expanded structure, (3) partial phase separation. Such periodic nanostructures exhibited not only optical anisotropy but also intriguing electric, thermal, and magnetic properties. The formation mechanisms of the periodic nanostructure was interpreted in terms of the interaction between incident light field and the generated electron plasma. Furthermore, the fact that the periodic nanostructures in semiconductors could be formed empirically only if it is indirect bandgap semiconductor materials indicates the stress-dependence of bandgap structure and/or the recombination of the excited electrons are also involved to the nanostructure formation. More recently we have also confirmed that the periodic nanostructures in glass are related to whether a large amount of non-bridged oxygen is present. In the presentation, we demonstrate new possibilities for functionalization of common materials ranging from an eternal 5D optical storage, a polarization imaging, to a thermoelectric conversion, based on the indicated phenomena.

Anisotropic expansion and amorphization of Ga2O3 irradiated with 946 MeV Au ions

NASA Astrophysics Data System (ADS)

Tracy, Cameron L.; Lang, Maik; Severin, Daniel; Bender, Markus; Trautmann, Christina; Ewing, Rodney C.

2016-05-01

The structural response of β-Ga2O3 to irradiation-induced electronic excitation was investigated. A polycrystalline pellet of this material was irradiated with 946 MeV Au ions and the resulting structural modifications were characterized using in situ X-ray diffraction analysis at various ion fluences, up to 1 × 1013 cm-2. Amorphization was induced, with the accumulation of the amorphous phase following a single-impact mechanism in which each ion produces an amorphous ion track along its path. Concurrent with this phase transformation, an increase in the unit cell volume of the material was observed and quantified using Rietveld refinement. This unit cell expansion increased as a function of ion fluence before saturating at 1.8%. This effect is attributed to the generation of defects in an ion track shell region surrounding the amorphous track cores. The unit cell parameter increase was highly anisotropic, with no observed expansion in the [0 1 0] direction. This may be due to the structure of β-Ga2O3, which exhibits empty channels of connected interstitial sites oriented in this direction.

Structure and optical properties of 2D layered MoS2 crystals implemented with novel friction induced crystal growth

NASA Astrophysics Data System (ADS)

Tanabe, Tadao; Ito, Takafumi; Oyama, Yutaka

2018-03-01

We used X-ray diffraction, and Raman and photoluminescence (PL) spectroscopies to examine the structure and optical properties of molybdenum disulfide (MoS2) crystals grown by friction at the interface between two materials. MoS2 is produced chemically from molybdenum dithiocarbamates (MoDTC) in synthetic oil under sliding friction conditions. The X-ray diffraction (XRD) patterns indicate that the structure of the MoS2 is layered with the c-axis perpendicular to the surface. The MoS2 layer was formed on stainless steel and germanium by friction at the interface between these materials and high carbon chromium bearing steel. The number of layers is estimated to be N (N > 6) from the distance between the Raman frequencies of the E12g and A1g modes. For MoS2 grown on stainless steel, exciton peak is observed in the PL spectrum at room temperature. These results show that this friction induced crystal growth method is viable for synthesizing atomic layers of MoS2 at solid surfaces.

Probing the band structure and local electronic properties of low-dimensional semiconductor structures

NASA Astrophysics Data System (ADS)

Walrath, Jenna Cherie

Low-dimensional semiconductor structures are important for a wide variety of applications, and recent advances in nanoscale fabrication are paving the way for increasingly precise nano-engineering of a wide range of materials. It is therefore essential that the physics of materials at the nanoscale are thoroughly understood to unleash the full potential of nanotechnology, requiring the development of increasingly sophisticated instrumentation and modeling. Of particular interest is the relationship between the local density of states (LDOS) of low-dimensional structures and the band structure and local electronic properties. This dissertation presents the investigation of the band structure, LDOS, and local electronic properties of nanostructures ranging from zero-dimensional (0D) quantum dots (QDs) to two-dimensional (2D) thin films, synthesizing computational and experimental approaches including Poisson-Schrodinger band structure calculations, scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and scanning thermoelectric microscopy (SThEM). A method is presented for quantifying the local Seebeck coefficient (S) with SThEM, using a quasi-3D conversion matrix approach to directly convert temperature gradient-induced voltages S. For a GaAs p-n junction, the resulting S-profile is consistent with that computed using the free carrier concentration profile. This combined computational-experimental approach is expected to enable nanoscale measurements of S across a wide variety of heterostructure interfaces. The local carrier concentration, n, is profiled across epitaxial InAs/GaAs QDs, where SThEM is used to profile the temperature gradient-induced voltage, which is converted to a profile of the local S and finally to an n profile. The S profile is converted to a conduction band-edge profile and compared with Poisson-Schrodinger band-edge simulations. The combined computational-experimental approach suggests a reduced n in the QD center in comparison to that of the 2D alloy layer. The surface composition and band structure of ordered horizontal Sb2Te3 nanowires induced by femtosecond laser irradiation of a thin film are investigated, revealing a band gap modulation between buried Sb2Te3 nanowires and the surrounding insulating material. Finally, STM and STS are used to investigate the band structure of BiSbTe alloys at room temperature, revealing both the Fermi level and Dirac point located inside the bulk bandgap, indicating bulk-like insulating behavior with accessible surface states.

TOPICAL REVIEW: Progress in engineering high strain lead-free piezoelectric ceramics

NASA Astrophysics Data System (ADS)

Leontsev, Serhiy O.; Eitel, Richard E.

2010-08-01

Environmental concerns are strongly driving the need to replace the lead-based piezoelectric materials currently employed as multilayer actuators. The current review describes both compositional and structural engineering approaches to achieve enhanced piezoelectric properties in lead-free materials. The review of the compositional engineering approach focuses on compositional tuning of the properties and phase behavior in three promising families of lead-free perovskite ferroelectrics: the titanate, alkaline niobate and bismuth perovskites and their solid solutions. The 'structural engineering' approaches focus instead on optimization of microstructural features including grain size, grain orientation or texture, ferroelectric domain size and electrical bias field as potential paths to induce large piezoelectric properties in lead-free piezoceramics. It is suggested that a combination of both compositional and novel structural engineering approaches will be required in order to realize viable lead-free alternatives to current lead-based materials for piezoelectric actuator applications.

Progress in engineering high strain lead-free piezoelectric ceramics

PubMed Central

Leontsev, Serhiy O; Eitel, Richard E

2010-01-01

Environmental concerns are strongly driving the need to replace the lead-based piezoelectric materials currently employed as multilayer actuators. The current review describes both compositional and structural engineering approaches to achieve enhanced piezoelectric properties in lead-free materials. The review of the compositional engineering approach focuses on compositional tuning of the properties and phase behavior in three promising families of lead-free perovskite ferroelectrics: the titanate, alkaline niobate and bismuth perovskites and their solid solutions. The ‘structural engineering’ approaches focus instead on optimization of microstructural features including grain size, grain orientation or texture, ferroelectric domain size and electrical bias field as potential paths to induce large piezoelectric properties in lead-free piezoceramics. It is suggested that a combination of both compositional and novel structural engineering approaches will be required in order to realize viable lead-free alternatives to current lead-based materials for piezoelectric actuator applications. PMID:27877343

Bioinspired Thermoresponsive Photonic Polymers with Hierarchical Structures and Their Unique Properties.

PubMed

Lu, Tao; Zhu, Shenmin; Ma, Jun; Lin, Jinyou; Wang, Wanlin; Pan, Hui; Tian, Feng; Zhang, Wang; Zhang, Di

2015-10-01

Thermoresponsive photonic materials having hierarchical structures are created by combining a template of Morpho butterfly wings with poly(N-isopropylacrylamide) (PNIPAM) through a chemical bonding and polymerization route. These materials show temperature-induced color tunability. Through reacting with both NIPAM monomers and the amino groups of chitosan in wing scales, glutaraldehyde workes as a bridge by creating chemical bonding between the biotemplate and the PNIPAM. The corresponding reflection peaks red-shift with increase in temperature-an opposite phenomenon to previous studies, demonstrating a thermoresponsive photonic property. This unique phenomenon is caused by the refractive index change due to the volume change of PNIPAM during the temperature rising. This work sets up an efficient strategy for the fabrication of stimuli-responsive photonic materials with hierarchical structures toward extensive applications in science and technology. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Real-Time Observation of Order-Disorder Transformation of Organic Cations Induced Phase Transition and Anomalous Photoluminescence in Hybrid Perovskites.

PubMed

Yang, Bin; Ming, Wenmei; Du, Mao-Hua; Keum, Jong K; Puretzky, Alexander A; Rouleau, Christopher M; Huang, Jinsong; Geohegan, David B; Wang, Xiaoping; Xiao, Kai

2018-05-01

A fundamental understanding of the interplay between the microscopic structure and macroscopic optoelectronic properties of organic-inorganic hybrid perovskite materials is essential to design new materials and improve device performance. However, how exactly the organic cations affect the structural phase transition and optoelectronic properties of the materials is not well understood. Here, real-time, in situ temperature-dependent neutron/X-ray diffraction and photoluminescence (PL) measurements reveal a transformation of the organic cation CH 3 NH 3 + from order to disorder with increasing temperature in CH 3 NH 3 PbBr 3 perovskites. The molecular-level order-to-disorder transformation of CH 3 NH 3 + not only leads to an anomalous increase in PL intensity, but also results in a multidomain to single-domain structural transition. This discovery establishes the important role that organic cation ordering has in dictating structural order and anomalous optoelectronic phenomenon in hybrid perovskites. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modulated nematic structures induced by chirality and steric polarization

NASA Astrophysics Data System (ADS)

Longa, Lech; PajÄ k, Grzegorz

2016-04-01

What kind of one-dimensional modulated nematic structures (ODMNS) can form nonchiral and chiral bent-core and dimeric materials? Here, using the Landau-de Gennes theory of nematics, extended to account for molecular steric polarization, we study a possibility of formation of ODMNS, both in nonchiral and intrinsically chiral liquid crystalline materials. Besides nematic and cholesteric phases, we find four bulk ODMNS for nonchiral materials, two of which, to the best of our knowledge, have not been reported so far. These two structures are longitudinal (NLP) and transverse (NTP) periodic waves where the polarization field being periodic in one dimension stays parallel and perpendicular, respectively, to the wave vector. The other two phases are the twist-bend nematic phase (NTB) and the splay-bend nematic phase (NSB), but their fine structure appears more complex than that considered so far. The presence of molecular chirality converts nonchiral NTP and NSB into new NTB phases. Surprisingly, the nonchiral NLP phase can stay stable even in the presence of intrinsic chirality.

Effects of urea induced protein conformational changes on ion exchange chromatographic behavior.

PubMed

Hou, Ying; Hansen, Thomas B; Staby, Arne; Cramer, Steven M

2010-11-19

Urea is widely employed to facilitate protein separations in ion exchange chromatography at various scales. In this work, five model proteins were used to examine the chromatographic effects of protein conformational changes induced by urea in ion exchange chromatography. Linear gradient experiments were carried out at various urea concentrations and the protein secondary and tertiary structures were evaluated by far UV CD and fluorescence measurements, respectively. The results indicated that chromatographic retention times were well correlated with structural changes and that they were more sensitive to tertiary structural change. Steric Mass Action (SMA) isotherm parameters were also examined and the results indicated that urea induced protein conformational changes could affect both the characteristic charge and equilibrium constants in these systems. Dynamic light scattering analysis of changes in protein size due to urea-induced unfolding indicated that the size of the protein was not correlated with SMA parameter changes. These results indicate that while urea-induced structural changes can have a marked effect on protein chromatographic behavior in IEX, this behavior can be quite complicated and protein specific. These differences in protein behavior may provide insight into how these partially unfolded proteins are interacting with the resin material. Copyright © 2010 Elsevier B.V. All rights reserved.

The Ionizing Radiation Environment on the International Space Station: Performance vs. Expectations for Avionics and Materials

NASA Technical Reports Server (NTRS)

Koontz, Steven L.; Boeder, Paul A.; Pankop, Courtney; Reddell, Brandon

2005-01-01

The role of structural shielding mass in the design, verification, and in-flight performance of International Space Station (ISS), in both the natural and induced orbital ionizing radiation (IR) environments, is reported.

Helium vs. Proton Induced Displacement Damage in Electronic Materials

NASA Technical Reports Server (NTRS)

Ringo, Sawnese; Barghouty, A. F.

2010-01-01

In this project, the specific effects of displacement damage due to the passage of protons and helium nuclei on some typical electronic materials will be evaluated and contrasted. As the electronic material absorbs the energetic proton and helium momentum, degradation of performance occurs, eventually leading to overall failure. Helium nuclei traveling at the same speed as protons are expected to impart more to the material displacement damage; due to the larger mass, and thus momentum, of helium nuclei compared to protons. Damage due to displacement of atoms in their crystalline structure can change the physical properties and hence performance of the electronic materials.

Oxide-cladding aluminum nitride photonic crystal slab: Design and investigation of material dispersion and fabrication induced disorder

DOE Office of Scientific and Technical Information (OSTI.GOV)

Melo, E. G., E-mail: emerdemelo@usp.br; Alvarado, M. A.; Carreño, M. N. P.

2016-01-14

Photonic crystal slabs with a lower-index material surrounding the core layer are an attractive choice to circumvent the drawbacks in the fabrication of membranes suspended in air. In this work we propose a photonic crystal (PhC) slab structure composed of a triangular pattern of air holes in a multilayer thin film of aluminum nitride embedded in silicon dioxide layers designed for operating around 450 nm wavelengths. We show the design of an ideal structure and analyze the effects of material dispersion based on a first-order correction perturbation theory approach using dielectric functions obtained by experimental measurements of the thin film materials.more » Numerical methods were used to investigate the effects of fabrication induced disorder of typical nanofabrication processes on the bandgap size and spectral response of the proposed device. Deviation in holes radii and positions were introduced in the proposed PhC slab model with a Gaussian distribution profile. Impacts of slope in holes sidewalls that might result from the dry etching of AlN were also evaluated. The results show that for operation at the midgap frequency, slope in holes sidewalls is more critical than displacements in holes sizes and positions.« less

Optomechanics of two- and three-dimensional soft photonic crystals

NASA Astrophysics Data System (ADS)

Krishnan, Dwarak

Soft photonic crystals are a class of periodic dielectric structures that undergo highly nonlinear deformation due to strain or other external stimulus such as temperature, pH etc. This can in turn dramatically affect optical properties such as light transmittance. Moreover certain classes of lithographically fabricated structures undergo some structural distortion due to the effects of processing, eventually affecting the optical properties of the final photonic crystal. In this work, we study the deformation mechanics of soft photonic crystal structures using realistic physics-based models and leverage that understanding to explain the optomechanics of actual 2-D and 3-D soft photonic crystals undergoing similar symmetry breaking nonlinear deformations. We first study the optomechanics of two classes of 3-D soft photonic crystals: (1) hydrogel and (2) elastomer based material systems. The hydrogel based inverse face-centered-cubic structure undergoes swelling with change in pH of the surrounding fluid. The inverse structure is a network of bulky domains with thin ligament-like connections, and it undergoes a pattern transformation from FCC to L11 as a result of swelling. A continuum scale poroelasticity based coupled fluid-diffusion FEM model is developed to accurately predict this mechanical behavior. Light transmittance simulation results qualitatively explain the experimentally observed trends in the optical behavior with pH change. The elastomer based, lithographically fabricated material experiences shrinkage induced distortion upon processing. This behavior is modeled using FEM with the material represented by a neo-Hookean constitutive law. The light transmittance calculations for normal incidence are carried out using the transfer matrix method and a good comparison is obtained for the positions of first and second order reflectance peaks. A unit cell based approach is taken to compute the photonic bandstructure to estimate light propagation through the structure for other angles of light incidence. To obtain a detailed picture of the change in optical properties due to a pattern transformation, we study simple 2-D elastomer photonic crystals which undergo an interesting structural pattern transformation from simple circular holes to alternately oriented ellipses in a square lattice due to uniaxial compression. The incident light does not have any effect on the properties of the elastomer material. A decomposition of the deformation gradient quickly shows that the pattern transformation is induced by alternating rotations of the interstitial regions and the bending of interconnecting ligaments. Numerical simulations of light transmittance using vector element based FEM analysis of Maxwells equations shows changes in the light energy localization within the material especially in the high energy/low wavelength regions of the spectra. Additionally, with bandstructure calculations on a unit cell of the structure, the optomechanical behavior is completely explained. Finally, computational evidence is provided for a hypothetical 2-D photonic crystal made of a light-sensitive material, which undergoes a structural pattern transformation primarily due to the effect of incident light. The model takes into account the order kinetics of optically induced isomerization (of trans to cis configuration) in the azobenzene-liquid crystal elastomer to compute the transformational strain. This strain, in turn, deforms the structure and hence changes its periodicity and dielectric properties and thus affects the manner in which light gets localized within the material system. This consequently changes the profile of the imposed transformational strain on the deformed structure. The macroscopic strain history shows that prior to the mechanical instability that causes the pattern transformation, there is a period of structural relaxation which initiates the pattern transformation. After the symmetry breaking pattern transformation, the photonic bandstructure is altered significantly. Light does not get localized in the spot regions anymore and stress relaxation dominates. Due to this, the compressive macroscopic strain of the pattern transformed structure starts to decrease indicating a possible cyclical behavior.

Self-amplified photo-induced gap quenching in a correlated electron material

DOE PAGES

Mathias, S.; Eich, S.; Urbancic, J.; ...

2016-10-04

Capturing the dynamic electronic band structure of a correlated material presents a powerful capability for uncovering the complex couplings between the electronic and structural degrees of freedom. When combined with ultrafast laser excitation, new phases of matter can result, since far-from-equilibrium excited states are instantaneously populated. Here, we elucidate a general relation between ultrafast non-equilibrium electron dynamics and the size of the characteristic energy gap in a correlated electron material. Here, we show that carrier multiplication via impact ionization can be one of the most important processes in a gapped material, and that the speed of carrier multiplication critically dependsmore » on the size of the energy gap. In the case of the charge-density wave material 1T-TiSe 2, our data indicate that carrier multiplication and gap dynamics mutually amplify each other, which explains—on a microscopic level—the extremely fast response of this material to ultrafast optical excitation.« less

Assembly of ordered colloidal aggregrates by electric-field-induced fluid flow

PubMed Central

Yeh, Syun-Ru; Seul, Michael; Shraiman, Boris I.

2017-01-01

Suspensions of colloidal particles form a variety of ordered planar structures at an interface in response to an a.c. or d.c. electric field applied normal to the interface1–3. This field-induced pattern formation can be useful, for example, in the processing of materials. Here we explore the origin of the ordering phenomenon. We present evidence suggesting that the long-ranged attraction between particles which causes aggregation is mediated by electric-field-induced fluid flow. We have imaged an axially symmetric flow field around individual particles on a uniform electrode surface. The flow is induced by distortions in the applied electric field owing to inhomogeneities in the ‘double layer’ of ions and counterions at the electrode surface. The beads themselves can create these inhomogeneities, or alternatively, we can modify the electrode surfaces by lithographic patterning so as to introduce specified patterns into the aggregated structures. PMID:28943661

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barnard, John J.; Schenkel, Thomas

Intense, pulsed ion beams locally heat materials and deliver dense electronic excitations that can induce material modifications and phase transitions. Material properties can potentially be stabilized by rapid quenching. Pulsed ion beams with pulse lengths of order ns have recently become available for materials processing. Here, we optimize mask geometries for local modification of materials by intense ion pulses. The goal is to rapidly excite targets volumetrically to the point where a phase transition or local lattice reconstruction is induced followed by rapid cooling that stabilizes desired material's properties fast enough before the target is altered or damaged by, e.g.,more » hydrodynamic expansion. By using a mask, the longitudinal dimension can be large compared to the transverse dimension, allowing the possibility of rapid transverse cooling. We performed HYDRA simulations that calculate peak temperatures for a series of excitation conditions and cooling rates of silicon targets with micro-structured masks and compare these to a simple analytical model. In conclusion, the model gives scaling laws that can guide the design of targets over a wide range of pulsed ion beam parameters.« less

He implantation induced microstructure- and hardness-modification of the intermetallic γ-TiAl

NASA Astrophysics Data System (ADS)

Pouchon, Manuel A.; Chen, Jiachao; Hoffelner, Wolfgang

2009-05-01

TiAl is a well known high temperature material with good creep properties. It is investigated as a potential structural material for Generation IV high temperature gas cooled nuclear reactors. The tests are performed with the ABB-2 (Ti-rich TiAl with 2 at.% W) developed by ASEA Brown Boveri Ltd. (ABB). Thin samples are irradiated throughout with 24 MeV 4He2+ ions; the irradiated material is then investigated towards its microstructure and its hardness. The microstructure is studied by transmission electron microscopy and the hardness is investigated using a micro-hardness tester and a nano-indenter. Different effects can be identified. From room to moderate irradiation temperatures, the radiation induced hardening of the material slowly vanishes until the material completely recovers at about 943 K. Beyond this temperature, He-bubble formation seems to harden the material again, until beyond 1200 K a steep increase in hardening is detected. This effect can be correlated with bubbles being identified in the micrographs. The results are consistent and give strong indications to a microstructural development as a function of temperature.

Timoshenko beam model for chiral materials

NASA Astrophysics Data System (ADS)

Ma, T. Y.; Wang, Y. N.; Yuan, L.; Wang, J. S.; Qin, Q. H.

2017-12-01

Natural and artificial chiral materials such as deoxyribonucleic acid (DNA), chromatin fibers, flagellar filaments, chiral nanotubes, and chiral lattice materials widely exist. Due to the chirality of intricately helical or twisted microstructures, such materials hold great promise for use in diverse applications in smart sensors and actuators, force probes in biomedical engineering, structural elements for absorption of microwaves and elastic waves, etc. In this paper, a Timoshenko beam model for chiral materials is developed based on noncentrosymmetric micropolar elasticity theory. The governing equations and boundary conditions for a chiral beam problem are derived using the variational method and Hamilton's principle. The static bending and free vibration problem of a chiral beam are investigated using the proposed model. It is found that chirality can significantly affect the mechanical behavior of beams, making materials more flexible compared with nonchiral counterparts, inducing coupled twisting deformation, relatively larger deflection, and lower natural frequency. This study is helpful not only for understanding the mechanical behavior of chiral materials such as DNA and chromatin fibers and characterizing their mechanical properties, but also for the design of hierarchically structured chiral materials.

Timoshenko beam model for chiral materials

NASA Astrophysics Data System (ADS)

Ma, T. Y.; Wang, Y. N.; Yuan, L.; Wang, J. S.; Qin, Q. H.

2018-06-01

Natural and artificial chiral materials such as deoxyribonucleic acid (DNA), chromatin fibers, flagellar filaments, chiral nanotubes, and chiral lattice materials widely exist. Due to the chirality of intricately helical or twisted microstructures, such materials hold great promise for use in diverse applications in smart sensors and actuators, force probes in biomedical engineering, structural elements for absorption of microwaves and elastic waves, etc. In this paper, a Timoshenko beam model for chiral materials is developed based on noncentrosymmetric micropolar elasticity theory. The governing equations and boundary conditions for a chiral beam problem are derived using the variational method and Hamilton's principle. The static bending and free vibration problem of a chiral beam are investigated using the proposed model. It is found that chirality can significantly affect the mechanical behavior of beams, making materials more flexible compared with nonchiral counterparts, inducing coupled twisting deformation, relatively larger deflection, and lower natural frequency. This study is helpful not only for understanding the mechanical behavior of chiral materials such as DNA and chromatin fibers and characterizing their mechanical properties, but also for the design of hierarchically structured chiral materials.

Raman structural studies of the nickel electrode

NASA Technical Reports Server (NTRS)

Cornilsen, B. C.

1985-01-01

Raman spectroscopy is sensitive to empirically controlled nickel electrode structural variations, and has unique potential for structural characterization of these materials. How the structure relates to electrochemical properties is examined so that the latter can be more completely understood, controlled, and optimized. Electrodes were impregnated and cycled, and cyclic voltammetry is being used for electrochemical characterization. Structural variation was observed which has escaped detection using other methods. Structural changes are induced by: (1) cobalt doping, (2) the state of change or discharge, (3) the preparation conditions and type of buffer used, and (4) the formation process. Charged active mass has an NiOOH-type structure, agreeing with X-ray diffraction results. Discharged active mass, however, is not isostructural with beta-Ni(OH)2. Chemically prepared alpha phases are not isostructural either. A disordered structural model, containing point defects, is proposed for the cycled materials. This model explains K(+) incorporation. Band assignments were made and spectra interpreted for beta-Ni(OH)2, electrochemical NiOOH and chemically precipitated NiOOH.

Inducing Order from Disordered Copolymers: On Demand Generation of Triblock Morphologies Including Networks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tureau, Maëva S.; Kuan, Wei-Fan; Rong, Lixia

Disordered block copolymers are generally impractical in nanopatterning applications due to their inability to self-assemble into well-defined nanostructures. However, inducing order in low molecular weight disordered systems permits the design of periodic structures with smaller characteristic sizes. Here, we have induced nanoscale phase separation from disordered triblock copolymer melts to form well-ordered lamellae, hexagonally packed cylinders, and a triply periodic gyroid network structure, using a copolymer/homopolymer blending approach, which incorporates constituent homopolymers into selective block domains. This versatile blending approach allows one to precisely target multiple nanostructures from a single disordered material and can be applied to a wide varietymore » of triblock copolymer systems for nanotemplating and nanoscale separation applications requiring nanoscale feature sizes and/or high areal feature densities.« less

Mechanical Anisotropy and Pressure Induced Structural Changes in Piroxicam Crystals Probed by In Situ Indentation and Raman Spectroscopy

NASA Astrophysics Data System (ADS)

Manimunda, Praveena; Hintsala, Eric; Asif, Syed; Mishra, Manish Kumar

2017-01-01

The ability to correlate mechanical and chemical characterization techniques in real time is both lacking and powerful tool for gaining insights into material behavior. This is demonstrated through use of a novel nanoindentation device equipped with Raman spectroscopy to explore the deformation-induced structural changes in piroxicam crystals. Mechanical anisotropy was observed in two major faces ( 0bar{1}1 ) and (011), which are correlated to changes in the interlayer interaction from in situ Raman spectra recorded during indentation. The results of this study demonstrate the considerable potential of an in situ Raman nanoindentation instrument for studying a variety of topics, including stress-induced phase transformation mechanisms, mechanochemistry, and solid state reactivity under mechanical forces that occur in molecular and pharmaceutical solids.

Electronic Structure of Energetic Molecules and Crystals Under Compression

NASA Astrophysics Data System (ADS)

Kay, Jeffrey

Understanding how the electronic structure of energetic materials change under compression is important to elucidating mechanisms of shock-induced reactions and detonation. In this presentation, the electronic structure of prototypical energetic crystals are examined under high degrees of compression using ab initio quantum chemical calculations. The effects of compression on and interactions between the constituent molecules are examined in particular. The insights these results provide into previous experimental observations and theoretical predictions of energetic materials under high pressure are discussed. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Evaluating the coefficient of thermal expansion using time periods of minimal thermal gradient for a temperature driven structural health monitoring

NASA Astrophysics Data System (ADS)

Reilly, J.; Abdel-Jaber, H.; Yarnold, M.; Glisic, B.

2017-04-01

Structural Health Monitoring aims to characterize the performance of a structure from a combination of recorded sensor data and analytic techniques. Many methods are concerned with quantifying the elastic response of the structure, treating temperature changes as noise in the analysis. While these elastic profiles do demonstrate a portion of structural behavior, thermal loads on a structure can induce comparable strains to elastic loads. Understanding this relationship between the temperature of the structure and the resultant strain and displacement can provide in depth knowledge of the structural condition. A necessary parameter for this form of analysis is the Coefficient of Thermal Expansion (CTE). The CTE of a material relates the amount of expansion or contraction a material undergoes per degree change in temperature, and can be determined from temperature-strain relationship given that the thermal strain can be isolated. Many times with concrete, the actual amount of expansion with temperature in situ varies from the given values for the CTE due to thermally generated elastic strain, which complicates evaluation of the CTE. To accurately characterize the relationship between temperature and strain on a structure, the actual thermal behavior of the structure needs to be analyzed. This rate can vary for different parts of a structure, depending on boundary conditions. In a case of unrestrained structures, the strain in the structure should be linearly related to the temperature change. Thermal gradients in a structure can affect this relationship, as they induce curvature and deplanations in the cross section. This paper proposes a method that addresses these challenges in evaluating the CTE.

Laser marking on soda-lime glass by laser-induced backside wet etching with two-beam interference

NASA Astrophysics Data System (ADS)

Nakazumi, Tomoka; Sato, Tadatake; Narazaki, Aiko; Niino, Hiroyuki

2016-09-01

For crack-free marking of glass materials, a beam-scanning laser-induced backside wet etching (LIBWE) process by a beam spot with a fine periodic structure was examined. The fine periodic structure was produced within a beam spot by means of a Mach-Zehnder interferometer incorporated to the optical setup for the beam-scanning LIBWE. A fine structure with a period of 9 µm was observed within the microstructures with a diameter of ca. 40 µm fabricated by a laser shot under double-beam irradiation, and they could be homogeneously fabricated within an area of 800  ×  800 µm. The area filled with the microstructures, including fine periodic structures, could be observed in high contrast under a diffuse, on-axis illumination that was used in commercial QR code readers.

Magnetically-induced forces on a ferromagnetic HT-9 first wall/blanket module

NASA Astrophysics Data System (ADS)

Lechtenberg, T. A.; Dahms, C. F.; Attaya, H.

1984-05-01

A model of the Starfire commercial tokamak reactor was used as the basis for calculating magnetic loads induced on typical fusion reactor first wall components fabricated of ferromagnetic material. The component analyzed was the first wall/blanket module because this structure experiences the greatest neutron fluence level and is the component for which the low swelling ferromagnetic Sandvik alloy, HT-9, may have the greatest benefit. The magnitudes of the magnetic body forces calculated were consistent with analyses performed on structures within other types of reactors. The loads generated within the module structure by the magnetic forces were found to be of the same order of magnitude as those arising from other sources such as pressure differential, dead weight, temperature distribution. Only small structural design modifications would be required if the magnetic alloy, Sandvik HT-9 were utilized.

Pressure-induced structural phase transition in transition metal carbides TMC (TM = Ru, Rh, Pd, Os, Ir, Pt): a DFT study

NASA Astrophysics Data System (ADS)

Manikandan, M.; Rajeswarapalanichamy, R.; Iyakutti, K.

2018-03-01

First-principles calculations based on density functional theory was performed to analyse the structural stability of transition metal carbides TMC (TM = Ru, Rh, Pd, Os, Ir, Pt). It is observed that zinc-blende phase is the most stable one for these carbides. Pressure-induced structural phase transition from zinc blende to NiAs phase is predicted at the pressures of 248.5 GPa, 127 GPa and 142 GPa for OsC, IrC and PtC, respectively. The electronic structure reveals that RuC exhibits a semiconducting behaviour with an energy gap of 0.7056 eV. The high bulk modulus values of these carbides indicate that these metal carbides are super hard materials. The high B/G value predicts that the carbides are ductile in their most stable phase.

Bismuth Sodium Titanate Based Materials for Piezoelectric Actuators

PubMed Central

Reichmann, Klaus; Feteira, Antonio; Li, Ming

2015-01-01

The ban of lead in many electronic products and the expectation that, sooner or later, this ban will include the currently exempt piezoelectric ceramics based on Lead-Zirconate-Titanate has motivated many research groups to look for lead-free substitutes. After a short overview on different classes of lead-free piezoelectric ceramics with large strain, this review will focus on Bismuth-Sodium-Titanate and its solid solutions. These compounds exhibit extraordinarily high strain, due to a field induced phase transition, which makes them attractive for actuator applications. The structural features of these materials and the origin of the field-induced strain will be revised. Technologies for texturing, which increases the useable strain, will be introduced. Finally, the features that are relevant for the application of these materials in a multilayer design will be summarized. PMID:28793724

Online monitoring of corrosion behavior in molten metal using laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Zeng, Qiang; Pan, Congyuan; Li, Chaoyang; Fei, Teng; Ding, Xiaokang; Du, Xuewei; Wang, Qiuping

2018-04-01

The corrosion behavior of structure materials in direct contact with molten metals is widespread in metallurgical industry. The corrosion of casting equipment by molten metals is detrimental to the production process, and the corroded materials can also contaminate the metals being produced. Conventional methods for studying the corrosion behavior by molten metal are offline. This work explored the application of laser-induced breakdown spectroscopy (LIBS) for online monitoring of the corrosion behavior of molten metal. The compositional changes of molten aluminum in crucibles made of 304 stainless steel were obtained online at 1000 °C. Several offline techniques were combined to determine the corrosion mechanism, which was highly consistent with previous studies. Results proved that LIBS was an efficient method to study the corrosion mechanism of solid materials in molten metal.

Strain-induced phenomenon in complex oxide thin films

NASA Astrophysics Data System (ADS)

Haislmaier, Ryan

Complex oxide materials wield an immense spectrum of functional properties such as ferroelectricity, ferromagnetism, magnetoelectricity, optoelectricity, optomechanical, magnetoresistance, superconductivity, etc. The rich coupling between charge, spin, strain, and orbital degrees of freedom makes this material class extremely desirable and relevant for next generation electronic devices and technologies which are trending towards nanoscale dimensions. Development of complex oxide thin film materials is essential for realizing their integration into nanoscale electronic devices, where theoretically predicted multifunctional capabilities of oxides could add tremendous value. Employing thin film growth strategies such as epitaxial strain and heterostructure interface engineering can greatly enhance and even unlock novel material properties in complex oxides, which will be the main focus of this work. However, physically incorporating oxide materials into devices remains a challenge. While advancements in molecular beam epitaxy (MBE) of thin film oxide materials has led to the ability to grow oxide materials with atomic layer precision, there are still major limitations such as controlling stoichiometric compositions during growth as well as creating abrupt interfaces in multi-component layered oxide structures. The work done in this thesis addresses ways to overcome these limitations in order to harness intrinsic material phenomena. The development of adsorption-controlled stoichiometric growth windows of CaTiO3 and SrTiO3 thin film materials grown by hybrid MBE where Ti is supplied using metal-organic titanium tetraisopropoxide material is thoroughly outlined. These growth windows enable superior epitaxial strain-induced ferroelectric and dielectric properties to be accessed as demonstrated by chemical, structural, electrical, and optical characterization techniques. For tensile strained CaTiO3 and compressive strained SrTiO 3 films, the critical effects of nonstoichiometry on ferroelectric properties are investigated, where enhanced ferroelectric responses are only found for stoichiometric films grown inside of the growth windows, whereas outside of the optimal growth window conditions, ferroelectric properties are greatly deteriorated and eventually disappear for highly nonstoichiometric film compositions. Utilizing these stoichiometric growth windows, high temperature polar phase transitions are discovered for compressively strained CaTiO3 films with transition temperatures in excess of 700 K, rendering this material as a strong candidate for high temperature electronic applications. Beyond the synthesis of single phase materials using hybrid MBE, a methodology is presented for constructing layered (SrTiO3)n/(CaTiO 3)n superlattice structures, where precise control over the unit cell layering thickness (n) is demonstrated using in-situ reflection high energy electron diffraction. The effects of interface roughness and layering periodicity (n) on the strain-induced ferroelectric properties for a series of n=1-10 (SrTiO3)n/(CaTiO3) n superlattice films are investigated. It is found that the stabilization of a ferroelectric phase is independent of n, but is however strongly dominated by the degree of interface roughness which is quantified by measuring the highest nth order X-ray diffraction peak splitting of each superlattice film. A counter-intuitive realization is made whereby a critical amount of interface roughness is required in order to enable the formation of the predicted strain-stabilized ferroelectric phase, whereas sharp interfaces actually suppress this ferroelectric phase from manifesting. It is shown how high-quality complex oxide superlattices can be constructed using hybrid MBE technique, allowing the ability to control layered materials at the atomic scale. Furthermore, a detailed growth methodology is provided for constructing a layered n=4 SrO(SrTiO3)n Ruddlesden-Popper (RP) phase by hybrid MBE, where the ability to deposit single monolayers of SrO and TiO2 is utilized to build the RP film structure over a time period of 5 hours. This is the first time that a thin film RP phase has been grown using hybrid MBE, where an a stable control over the fluxes is demonstrated during relatively long time periods of growth, which advantageously facilitates the synthesis of high-quality RP materials with excellent structural and chemical homogeneity. Additionally, this work demonstrates some major advancements in optical second harmonic generation (SHG) characterization techniques of ferroelectric thin film materials. The SHG characterization techniques developed here proved to be the 'bread-and-butter' for most of the work performed in this thesis, providing a powerful tool for identifying the existence of strain-induced ferroelectric phases, including their temperature dependence and polar symmetry. The work presented in this dissertation will hopefully provide a preliminary road map for future hybrid MBE growers, scientists and researchers, to develop and investigate epitaxial strain and heterostructure layering induced phenomena in other complex oxide systems.

The angular structure of ONC201, a TRAIL pathway-inducing compound, determines its potent anti-cancer activity

PubMed Central

Wagner, Jessica; Kline, Christina Leah; Pottorf, Richard S.; Nallaganchu, Bhaskara Rao; Olson, Gary L.; Dicker, David T.; Allen, Joshua E.; El-Deiry, Wafik S.

2014-01-01

We previously identified TRAIL-inducing compound 10 (TIC10), also known as NSC350625 or ONC201, from a NCI chemical library screen as a small molecule that has potent anti-tumor efficacy and a benign safety profile in preclinical cancer models. The chemical structure that was originally published by Stahle, et. al. in the patent literature was described as an imidazo[1,2-a]pyrido[4,3-d]pyrimidine derivative. The NCI and others generally accepted this as the correct structure, which was consistent with the mass spectrometry analysis outlined in the publication by Allen et. al. that first reported the molecule's anticancer properties. A recent publication demonstrated that the chemical structure of ONC201 material from the NCI is an angular [3,4-e] isomer of the originally disclosed, linear [4,3-d] structure. Here we confirm by NMR and X-ray structural analysis of the dihydrochloride salt form that the ONC201 material produced by Oncoceutics is the angular [3,4-e] structure and not the linear structure originally depicted in the patent literature and by the NCI. Similarly, in accordance with our biological evaluation, the previously disclosed anti-cancer activity is associated with the angular structure and not the linear isomer. Together these studies confirm that ONC201, produced by Oncoceutics or obtained from the NCI, possesses an angular [3,4-e] structure that represents the highly active anti-cancer compound utilized in prior preclinical studies and now entering clinical trials in advanced cancers. PMID:25587031

The angular structure of ONC201, a TRAIL pathway-inducing compound, determines its potent anti-cancer activity.

PubMed

Wagner, Jessica; Kline, Christina Leah; Pottorf, Richard S; Nallaganchu, Bhaskara Rao; Olson, Gary L; Dicker, David T; Allen, Joshua E; El-Deiry, Wafik S

2014-12-30

We previously identified TRAIL-inducing compound 10 (TIC10), also known as NSC350625 or ONC201, from a NCI chemical library screen as a small molecule that has potent anti-tumor efficacy and a benign safety profile in preclinical cancer models. The chemical structure that was originally published by Stahle, et. al. in the patent literature was described as an imidazo[1,2-a]pyrido[4,3-d]pyrimidine derivative. The NCI and others generally accepted this as the correct structure, which was consistent with the mass spectrometry analysis outlined in the publication by Allen et. al. that first reported the molecule's anticancer properties. A recent publication demonstrated that the chemical structure of ONC201 material from the NCI is an angular [3,4-e] isomer of the originally disclosed, linear [4,3-d] structure. Here we confirm by NMR and X-ray structural analysis of the dihydrochloride salt form that the ONC201 material produced by Oncoceutics is the angular [3,4-e] structure and not the linear structure originally depicted in the patent literature and by the NCI. Similarly, in accordance with our biological evaluation, the previously disclosed anti-cancer activity is associated with the angular structure and not the linear isomer. Together these studies confirm that ONC201, produced by Oncoceutics or obtained from the NCI, possesses an angular [3,4-e] structure that represents the highly active anti-cancer compound utilized in prior preclinical studies and now entering clinical trials in advanced cancers.

Camel-back band-induced power factor enhancement of thermoelectric lead-tellurium from Boltzmann transport calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, X. G., E-mail: wang2006@mail.ustc.edu.cn; Wang, L., E-mail: sqtb@mail.ustc.edu.cn; Liu, J., E-mail: jingliu@mail.ustc.edu.cn

2014-03-31

Band structures of PbTe can be abnormally bended via dual-doping on both the cationic and anionic sites to form camel-back multivalley energy band structures near the band edge. As a result, additional carrier pockets and strong intervalley scattering of carriers are introduced. Boltzmann transport calculations indicate that their contradictory effects yield remarkably enhanced power factor due to the improved thermopower and almost unchanged electrical conductivity in low temperature and high carrier concentration ranges. These findings prove dual-doping-induced band bending as an effective approach to improve the thermoelectric properties of PbTe and other similar materials.

Femtosecond diffraction dynamics of laser-induced periodic surface structures on fused silica

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoehm, S.; Rosenfeld, A.; Krueger, J.

2013-02-04

The formation of laser-induced periodic surface structures (LIPSS) on fused silica upon irradiation with linearly polarized fs-laser pulses (50 fs pulse duration, 800 nm center wavelength) is studied experimentally using a transillumination femtosecond time-resolved (0.1 ps-1 ns) pump-probe diffraction approach. This allows to reveal the generation dynamics of near-wavelength-sized LIPSS showing a transient diffraction at specific spatial frequencies even before a corresponding permanent surface relief was observed. The results confirm that the ultrafast energy deposition to the materials surface plays a key role and triggers subsequent physical mechanisms such as carrier scattering into self-trapped excitons.

Focused-electron-beam-induced processing (FEBIP) for emerging applications in carbon nanoelectronics

NASA Astrophysics Data System (ADS)

Fedorov, Andrei G.; Kim, Songkil; Henry, Mathias; Kulkarni, Dhaval; Tsukruk, Vladimir V.

2014-12-01

Focused-electron-beam-induced processing (FEBIP), a resist-free additive nanomanufacturing technique, is an actively researched method for "direct-write" processing of a wide range of structural and functional nanomaterials, with high degree of spatial and time-domain control. This article attempts to critically assess the FEBIP capabilities and unique value proposition in the context of processing of electronics materials, with a particular emphasis on emerging carbon (i.e., based on graphene and carbon nanotubes) devices and interconnect structures. One of the major hurdles in advancing the carbon-based electronic materials and device fabrication is a disjoint nature of various processing steps involved in making a functional device from the precursor graphene/CNT materials. Not only this multi-step sequence severely limits the throughput and increases the cost, but also dramatically reduces the processing reproducibility and negatively impacts the quality because of possible between-the-step contamination, especially for impurity-susceptible materials such as graphene. The FEBIP provides a unique opportunity to address many challenges of carbon nanoelectronics, especially when it is employed as part of an integrated processing environment based on multiple "beams" of energetic particles, including electrons, photons, and molecules. This avenue is promising from the applications' prospective, as such a multi-functional (electron/photon/molecule beam) enables one to define shapes (patterning), form structures (deposition/etching), and modify (cleaning/doping/annealing) properties with locally resolved control on nanoscale using the same tool without ever changing the processing environment. It thus will have a direct positive impact on enhancing functionality, improving quality and reducing fabrication costs for electronic devices, based on both conventional CMOS and emerging carbon (CNT/graphene) materials.

Oxygen ion implantation induced microstructural changes and electrical conductivity in Bakelite RPC detector material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, K. V. Aneesh, E-mail: aneesh1098@gmail.com; Ravikumar, H. B., E-mail: hbr@physics.uni-mysore.ac.in; Ranganathaiah, C., E-mail: cr@physics.uni-mysore.ac.in

2016-05-06

In order to explore the structural modification induced electrical conductivity, samples of Bakelite Resistive Plate Chamber (RPC) detector materials were exposed to 100 keV Oxygen ion in the fluences of 10{sup 12}, 10{sup 13}, 10{sup 14} and 10{sup 15} ions/cm{sup 2}. Ion implantation induced microstructural changes have been studied using Positron Annihilation Lifetime Spectroscopy (PALS) and X-Ray Diffraction (XRD) techniques. Positron lifetime parameters viz., o-Ps lifetime and its intensity shows the deposition of high energy interior track and chain scission leads to the formation of radicals, secondary ions and electrons at lower ion implantation fluences (10{sup 12} to10{sup 14} ions/cm{supmore » 2}) followed by cross-linking at 10{sup 15} ions/cm{sup 2} fluence due to the radical reactions. The reduction in electrical conductivity of Bakelite detector material is correlated to the conducting pathways and cross-links in the polymer matrix. The appropriate implantation energy and fluence of Oxygen ion on polymer based Bakelite RPC detector material may reduce the leakage current, improves the efficiency, time resolution and thereby rectify the aging crisis of the RPC detectors.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kondo, Atsushi, E-mail: kondoa@cc.tuat.ac.jp; Maeda, Kazuyuki

A 3D flexible metal–organic framework (MOF) with 1D hydrophilic and hydrophobic pores shows anisotropic thermal expansion with relatively large thermal expansion coefficient (α{sub a}=−21×10{sup −6} K{sup −1} and α{sub c}=79×10{sup −6} K{sup −1}) between 133 K and 383 K. Temperature change gives deformation of both pores, which expand in diameter and elongate in length on cooling and vice versa. The thermally induced structural change should be derived from a unique framework topology like “lattice fence”. Silica accommodation changes not only the nature of the MOF but also thermal responsiveness of the MOF. Since the hydrophobic pores in the material aremore » selectively blocked by the silica, the MOF with the silica is considered as a hydrophilic microporous material. Furthermore, inclusion of silica resulted in a drastic pore contraction in diameter and anisotropically changed the thermal responsiveness of the MOF. - Graphical abstract: A 3D metal–organic framework with hydrophilic and hydrophobic pores shows anisotropic thermal expansion behavior. The influence of silica filler in the hydrophobic pore was investigated. - Highlights: • Thermally induced structural change of a 3D MOF with a lattice fence topology was investigated. • The structural change was analyzed by synchrotron X-ray diffraction patterns. • Temperature change induces anisotropic thermal expansion/contraction of the MOF. • Silica inclusion anisotropically changes the thermal responsiveness of the MOF.« less

Effect of Internal Pressure and Temperature on Phase Transitions in Perovskite Oxides: The Case of the Solid Oxide Fuel Cell Cathode Materials of the La2-xSrxCoTiO6 Series.

PubMed

Gómez-Pérez, Alejandro; Hoelzel, Markus; Muñoz-Noval, Álvaro; García-Alvarado, Flaviano; Amador, Ulises

2016-12-19

The symmetry of the room-temperature (RT) structure of title compounds La 2-x Sr x CoTiO 6-δ changes with x, from P2 1 /n (0 ≤ x ≤ 0.2) to Pnma (0.3 ≤ x ≤ 0.5) and to R3̅c (0.6 ≤ x ≤ 1). For x = 1 the three pseudocubic cell parameters become very close suggesting a transition to a cubic structure for higher Sr contents. Similar phase transitions were expected to occur on heating, paralleling the effect of internal pressure induced by substitution of La 3+ by Sr 2+ . However, only some of these aforementioned transitions have been thermally induced. The symmetry-adapted modes formalism is used in the structural refinements and fitting of neutron diffraction data recorded from RT to 1273 K. Thus, for x = 1, the out-of-phase tilting of the BO 6 octahedra vanishes progressively on heating, and a cubic structure with Pm3̅m symmetry is found at 1073 K. For lower Sr contents this transition is predicted to occur far above the temperature limit of common experimental setups. The analysis of the evolution of the perovskite tolerance factor, t-factor, with both Sr content and temperature indicates that temperature has a limited ability to release structural stress and thus to enable transitions to more symmetric phases. This is particularly true when compared to the effect of internal pressure induced by substitution of La by Sr. The existence of phase transitions in materials for solid oxide fuel cells that are usually exposed to heating-cooling cycles may have a detrimental effect. This work suggests strategies to stabilize the high-symmetry high-temperature phase of perovskite oxides through internal-pressure chemically induced.

Fatigue damage prognosis of internal delamination in composite plates under cyclic compression loadings using affine arithmetic as uncertainty propagation tool

NASA Astrophysics Data System (ADS)

Gbaguidi, Audrey J.-M.

Structural health monitoring (SHM) has become indispensable for reducing maintenance costs and increasing the in-service capacity of a structure. The increased use of lightweight composite materials in aircraft structures drastically increased the effects of fatigue induced damage on their critical structural components and thus the necessity to predict the remaining life of those components. Damage prognosis, one of the least investigated fields in SHM, uses the current damage state of the system to forecast its future performance by estimating the expected loading environments. A successful damage prediction model requires the integration of technologies in areas like measurements, materials science, mechanics of materials, and probability theories, but most importantly the quantification of uncertainty in all these areas. In this study, Affine Arithmetic is used as a method for incorporating the uncertainties due to the material properties into the fatigue life prognosis of composite plates subjected to cyclic compressive loadings. When loadings are compressive in nature, the composite plates undergo repeated buckling-unloading of the delaminated layer which induces mixed modes I and II states of stress at the tip of the delamination in the plates. The Kardomateas model-based prediction law is used to predict the growth of the delamination, while the integration of the effects of the uncertainties for modes I and II coefficients in the fatigue life prediction model is handled using Affine arithmetic. The Mode I and Mode II interlaminar fracture toughness and fatigue characterization of the composite plates are first experimentally studied to obtain the material coefficients and fracture toughness, respectively. Next, these obtained coefficients are used in the Kardomateas law to predict the delamination lengths in the composite plates while using Affine Arithmetic to handle their uncertainties. At last, the fatigue characterization of the composite plates during compressive-buckling loadings is experimentally studied, and the delamination lengths obtained are compared with the predicted values to check the performance of Affine Arithmetic as an uncertainty propagation tool.

Electric polarization switching in an atomically thin binary rock salt structure

NASA Astrophysics Data System (ADS)

Martinez-Castro, Jose; Piantek, Marten; Schubert, Sonja; Persson, Mats; Serrate, David; Hirjibehedin, Cyrus F.

2018-01-01

Inducing and controlling electric dipoles is hindered in the ultrathin limit by the finite screening length of surface charges at metal-insulator junctions1-3, although this effect can be circumvented by specially designed interfaces4. Heterostructures of insulating materials hold great promise, as confirmed by perovskite oxide superlattices with compositional substitution to artificially break the structural inversion symmetry5-8. Bringing this concept to the ultrathin limit would substantially broaden the range of materials and functionalities that could be exploited in novel nanoscale device designs. Here, we report that non-zero electric polarization can be induced and reversed in a hysteretic manner in bilayers made of ultrathin insulators whose electric polarization cannot be switched individually. In particular, we explore the interface between ionic rock salt alkali halides such as NaCl or KBr and polar insulating Cu2N terminating bulk copper. The strong compositional asymmetry between the polar Cu2N and the vacuum gap breaks inversion symmetry in the alkali halide layer, inducing out-of-plane dipoles that are stabilized in one orientation (self-poling). The dipole orientation can be reversed by a critical electric field, producing sharp switching of the tunnel current passing through the junction.

Biocompatible Materials Based on Self-Assembling Peptides on Ti25Nb10Zr Alloy: Molecular Structure and Organization Investigated by Synchrotron Radiation Induced Techniques.

PubMed

Secchi, Valeria; Franchi, Stefano; Santi, Marta; Vladescu, Alina; Braic, Mariana; Skála, Tomáš; Nováková, Jaroslava; Dettin, Monica; Zamuner, Annj; Iucci, Giovanna; Battocchio, Chiara

2018-03-07

In this work, we applied advanced Synchrotron Radiation (SR) induced techniques to the study of the chemisorption of the Self Assembling Peptide EAbuK16, i.e., H-Abu-Glu-Abu-Glu-Abu-Lys-Abu-Lys-Abu-Glu-Abu-Glu-Abu-Lys-Abu-Lys-NH₂ that is able to spontaneously aggregate in anti-parallel β-sheet conformation, onto annealed Ti25Nb10Zr alloy surfaces. This synthetic amphiphilic oligopeptide is a good candidate to mimic extracellular matrix for bone prosthesis, since its β-sheets stack onto each other in a multilayer oriented nanostructure with internal pores of 5-200 nm size. To prepare the biomimetic material, Ti25Nb10Zr discs were treated with aqueous solutions of EAbuK16 at different pH values. Here we present the results achieved by performing SR-induced X-ray Photoelectron Spectroscopy (SR-XPS), angle-dependent Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy, FESEM and AFM imaging on Ti25Nb10Zr discs after incubation with self-assembling peptide solution at five different pH values, selected deliberately to investigate the best conditions for peptide immobilization.

Drying-induced atomic structural rearrangements in sodium-based calcium-alumino-silicate-hydrate gel and the mitigating effects of ZrO2 nanoparticles

NASA Astrophysics Data System (ADS)

Yang, Kengran; Özçelik, V. Ongun; Garg, Nishant; Gong, Kai; White, Claire E.

Conventional drying of colloidal materials and gels (including cement) can lead to detrimental effects due to the buildup of internal stresses as water evaporates from the nano/microscopic pores. However, the underlying nanoscopic alterations in these gel materials that are, in part, responsible for macroscopically-measured strain values, especially at low relative humidity, remain a topic of open debate in the literature. In this study, sodium-based calcium-alumino-silicate-hydrate (C-(N)-A-S-H) gel, the major binding phase of silicate-activated blast furnace slag (one type of low-CO$_2$ cement), is investigated from a drying perspective, since it is known to suffer extensively from drying-induced microcracking. By employing in situ synchrotron X-ray total scattering measurements and pair distribution function (PDF) analysis we show that the significant contributing factor to the strain development in this material at extremely low relative humidity (0%) is the local atomic structural rearrangement of the C-(N)-A-S-H gel, including collapse of interlayer spacing and slight disintegration of the gel. Moreover, analysis of the medium range (1.0 - 2.2 nm) ordering in the PDF data reveals that the PDF-derived strain values are in much closer agreement (same order of magnitude) with the macroscopically measured strain data, compared to previous results based on reciprocal space X-ray diffraction data. From a mitigation standpoint, we show that small amounts of ZrO$_2$ nanoparticles are able to actively reinforce the structure of silicate-activated slag during drying, preventing atomic level strains from developing. Mechanistically, these nanoparticles induce growth of a silica-rich gel during drying, which, via density functional theory calculations, we show is attributed to the high surface reactivity of tetragonal ZrO$_2$.

Ultrasonic characterization of the fiber-matrix interfacial bond in aerospace composites.

PubMed

Aggelis, D G; Kleitsa, D; Matikas, T E

2013-01-01

The properties of advanced composites rely on the quality of the fiber-matrix bonding. Service-induced damage results in deterioration of bonding quality, seriously compromising the load-bearing capacity of the structure. While traditional methods to assess bonding are destructive, herein a nondestructive methodology based on shear wave reflection is numerically investigated. Reflection relies on the bonding quality and results in discernable changes in the received waveform. The key element is the "interphase" model material with varying stiffness. The study is an example of how computational methods enhance the understanding of delicate features concerning the nondestructive evaluation of materials used in advanced structures.

Spherical Cryogenic Hydrogen Tank Preliminary Design Trade Studies

NASA Technical Reports Server (NTRS)

Arnold, Steven M.; Bednarcyk, Brett A.; Collier, Craig S.; Yarrington, Phillip W.

2007-01-01

A structural analysis, sizing optimization, and weight prediction study was performed by Collier Research Corporation and NASA Glenn on a spherical cryogenic hydrogen tank. The tank consisted of an inner and outer wall separated by a vacuum for thermal insulation purposes. HyperSizer (Collier Research and Development Corporation), a commercial automated structural analysis and sizing software package was used to design the lightest feasible tank for a given overall size and thermomechanical loading environment. Weight trade studies were completed for different panel concepts and metallic and composite material systems. Extensive failure analyses were performed for each combination of dimensional variables, materials, and layups to establish the structural integrity of tank designs. Detailed stress and strain fields were computed from operational temperature changes and pressure loads. The inner tank wall is sized by the resulting biaxial tensile stresses which cause it to be strength driven, and leads to an optimum panel concept that need not be stiffened. Conversely, the outer tank wall is sized by a biaxial compressive stress field, induced by the pressure differential between atmospheric pressure and the vacuum between the tanks, thereby causing the design to be stability driven and thus stiffened to prevent buckling. Induced thermal stresses become a major sizing driver when a composite or hybrid composite/metallic material systems are used for the inner tank wall for purposes such as liners to contain the fuel and reduce hydrogen permeation.

An anisotropic hydrogel with electrostatic repulsion between cofacially aligned nanosheets

NASA Astrophysics Data System (ADS)

Liu, Mingjie; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo

2015-01-01

Machine technology frequently puts magnetic or electrostatic repulsive forces to practical use, as in maglev trains, vehicle suspensions or non-contact bearings. In contrast, materials design overwhelmingly focuses on attractive interactions, such as in the many advanced polymer-based composites, where inorganic fillers interact with a polymer matrix to improve mechanical properties. However, articular cartilage strikingly illustrates how electrostatic repulsion can be harnessed to achieve unparalleled functional efficiency: it permits virtually frictionless mechanical motion within joints, even under high compression. Here we describe a composite hydrogel with anisotropic mechanical properties dominated by electrostatic repulsion between negatively charged unilamellar titanate nanosheets embedded within it. Crucial to the behaviour of this hydrogel is the serendipitous discovery of cofacial nanosheet alignment in aqueous colloidal dispersions subjected to a strong magnetic field, which maximizes electrostatic repulsion and thereby induces a quasi-crystalline structural ordering over macroscopic length scales and with uniformly large face-to-face nanosheet separation. We fix this transiently induced structural order by transforming the dispersion into a hydrogel using light-triggered in situ vinyl polymerization. The resultant hydrogel, containing charged inorganic structures that align cofacially in a magnetic flux, deforms easily under shear forces applied parallel to the embedded nanosheets yet resists compressive forces applied orthogonally. We anticipate that the concept of embedding anisotropic repulsive electrostatics within a composite material, inspired by articular cartilage, will open up new possibilities for developing soft materials with unusual functions.

An anisotropic hydrogel with electrostatic repulsion between cofacially aligned nanosheets.

PubMed

Liu, Mingjie; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo

2015-01-01

Machine technology frequently puts magnetic or electrostatic repulsive forces to practical use, as in maglev trains, vehicle suspensions or non-contact bearings. In contrast, materials design overwhelmingly focuses on attractive interactions, such as in the many advanced polymer-based composites, where inorganic fillers interact with a polymer matrix to improve mechanical properties. However, articular cartilage strikingly illustrates how electrostatic repulsion can be harnessed to achieve unparalleled functional efficiency: it permits virtually frictionless mechanical motion within joints, even under high compression. Here we describe a composite hydrogel with anisotropic mechanical properties dominated by electrostatic repulsion between negatively charged unilamellar titanate nanosheets embedded within it. Crucial to the behaviour of this hydrogel is the serendipitous discovery of cofacial nanosheet alignment in aqueous colloidal dispersions subjected to a strong magnetic field, which maximizes electrostatic repulsion and thereby induces a quasi-crystalline structural ordering over macroscopic length scales and with uniformly large face-to-face nanosheet separation. We fix this transiently induced structural order by transforming the dispersion into a hydrogel using light-triggered in situ vinyl polymerization. The resultant hydrogel, containing charged inorganic structures that align cofacially in a magnetic flux, deforms easily under shear forces applied parallel to the embedded nanosheets yet resists compressive forces applied orthogonally. We anticipate that the concept of embedding anisotropic repulsive electrostatics within a composite material, inspired by articular cartilage, will open up new possibilities for developing soft materials with unusual functions.

Observations in Fracture Toughness Testing of Glasses and Optical Ceramics

NASA Technical Reports Server (NTRS)

Salem, Jon

2017-01-01

Fracture toughness is a critical structural design parameter and an excellent metrics to rank materials. Itdetermines fracture strength by way of the flaws, both inherent and induced, and defines the endpoint of the slow crackgrowth curve. The fracture toughness of structural and optical ceramics, and glasses as measured by several techniques is compared. When good metrology is employed, the results are very comparable with two exceptions: materials exhibiting crack growth resistance and those with a low SCG exponents. For materials with R-curves, the result is a function of extension and can be minimized with short cracks. For materials with low SCG exponents, such as glasses, elimination of the corrosive media andor increasing the stress intensity rate minimizes effects. A summary of values is given, and it appears that highly modified glasses exhibit lower fracture toughness and slow crack growth exponent than high purity glasses such as fused silica.

Stress-induced reversible and irreversible ferroelectric domain switching

NASA Astrophysics Data System (ADS)

Chen, Zibin; Huang, Qianwei; Wang, Feifei; Ringer, Simon P.; Luo, Haosu; Liao, Xiaozhou

2018-04-01

Ferroelectric materials have been extensively explored for applications in electronic devices because of their ferroelectric/ferroelastic domain switching behaviour under electric bias or mechanical stress. Recent findings on applying mechanical loading to manipulate reversible logical signals in non-volatile ferroelectric memory devices make ferroelectric materials more attractive to scientists and engineers. However, the dynamical microscopic structural behaviour of ferroelectric domains under stress is not well understood, which limits the applications of ferroelectric/ferroelastic switching in memory devices. Here, the kinetics of reversible and irreversible ferroelectric domain switching induced by mechanical stress in relaxor-based ferroelectrics was explored. In-situ transmission electron microscopy investigation revealed that 90° ferroelastic and 180° ferroelectric domain switching can be induced by low and high mechanical stresses. The nucleation and growth of nanoscale domains overwhelm the defect-induced pinning effect on the stable micro-domain walls. This study provides deep insights for exploring the mechanical kinetics for ferroelectric/ferroelastic domains and a clear pathway to overcome the domain pinning effect of defects in ferroelectrics.

Materials Research for Advanced Inertial Instrumentation. Task 1. Dimensional Stability of Gyroscope Structural Materials.

DTIC Science & Technology

1982-12-01

generations of inertial instruments require that induced q long-term microplastic strains be maintained at levels substantially lower than 10-6 to 10-7 inch...instability are several, azong which some readily identifiable ones are phase transformation, relief of residual stresses, and microplastic deformation...numbered items in the List of Refprpnces. 2 SECTION 2 OBJECTIVES The present objectives of this program are -Alows: (1) To study the microplastic

Optical behaviors of flexible photonic films via the developed multiple UV-exposed fabrications.

PubMed

Chien, Chih-Chieh; Liu, Jui-Hsiang

2014-07-01

Recently, extensive investigations are carried out on design of highly controlled architecture and morphology by polymerizing the monomers doped in well-defined liquid crystalline materials, followed by removal of the template liquid crystal molecules. In this communication, a photonic structure used as a new photonic bandgap (PBG) material is developed by imprinting helical structures on polymer matrices through multiple photocrosslinking processes in an induced chiral nematic mesophase using flexible polyethylene terephthalate (PET) films as substrates. The tuning properties of the reflection band of the imprinted cell are achieved using an uniaxial thermo-stretching equipment. Furthermore, refilling of isotropic materials into the imprinted cells tune the reflection light wavelength leads to the change of color. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Investigating Resulting Residual Stresses during Mechanical Forming Process

NASA Astrophysics Data System (ADS)

Akinlabi, Stephen A.; Fatoba, Olawale S.; Mashinini, Peter M.; Akinlabi, Esther T.

2018-03-01

Most manufacturing processes such as machining, welding, heat treatment, laser forming, laser cladding and, laser metal deposition, etc. are subjected to a form of heat or energy to change the geometrical shape thus changing the inherent engineering and structural properties of the material. These changes often cause the development of locked up stresses referred to as residual stresses as a result of these activities. This study reports on the residual stresses developed due to the mechanical forming process to maintain a suitable structural integrity for the formed components. The result of the analysis through the X-ray diffraction confirmed that residual stresses were induced in the manufactured parts and further revealed that residual stresses were compressive in nature as found in the parent material but with values less than the parent material.

Photonic devices based on patterning by two photon induced polymerization techniques

NASA Astrophysics Data System (ADS)

Fortunati, I.; Dainese, T.; Signorini, R.; Bozio, R.; Tagliazucca, V.; Dirè, S.; Lemercier, G.; Mulatier, J.-C.; Andraud, C.; Schiavuta, P.; Rinaldi, A.; Licoccia, S.; Bottazzo, J.; Franco Perez, A.; Guglielmi, M.; Brusatin, G.

2008-04-01

Two and three dimensional structures with micron and submicron resolution have been achieved in commercial resists, polymeric materials and sol-gel materials by several lithographic techniques. In this context, silicon-based sol-gel materials are particularly interesting because of their versatility, chemical and thermal stability, amount of embeddable active compounds. Compared with other micro- and nano-fabrication schemes, the Two Photon Induced Polymerization is unique in its 3D processing capability. The photopolymerization is performed with laser beam in the near-IR region, where samples show less absorption and less scattering, giving rise to a deeper penetration of the light. The use of ultrashort laser pulses allows the starting of nonlinear processes like multiphoton absorption at relatively low average power without thermally damaging the samples. In this work we report results on the photopolymerization process in hybrid organic-inorganic films based photopolymerizable methacrylate-containing Si-nanobuilding blocks. Films, obtained through sol-gel synthesis, are doped with a photo-initiator allowing a radical polymerization of methacrylic groups. The photo-initiator is activated by femtosecond laser source, at different input energies. The development of the unexposed regions is performed with a suitable solvent and the photopolymerized structures are characterized by microscopy techniques.

Morphing wing structure with controllable twist based on adaptive bending-twist coupling

NASA Astrophysics Data System (ADS)

Raither, Wolfram; Heymanns, Matthias; Bergamini, Andrea; Ermanni, Paolo

2013-06-01

A novel semi-passive morphing airfoil concept based on variable bending-twist coupling induced by adaptive shear center location and torsional stiffness is presented. Numerical parametric studies and upscaling show that the concept relying on smart materials permits effective twist control while offering the potential of being lightweight and energy efficient. By means of an experimental characterization of an adaptive beam and a scaled adaptive wing structure, effectiveness and producibility of the structural concept are demonstrated.

Nano-Material Aspects of Shock Absorption in Bone Joints

PubMed Central

Tributsch, H; Copf, F; Copf, p; Hindenlang, U; Niethard, F.U; Schneider, R

2010-01-01

This theoretical study is based on a nano-technological evaluation of the effect of pressure on the composite bone fine structure. It turned out, that the well known macroscopic mechano-elastic performance of bones in combination with muscles and tendons is just one functional aspect which is critically supported by additional micro- and nano- shock damping technology aimed at minimising local bone material damage within the joints and supporting spongy bone material. The identified mechanisms comprise essentially three phenomena localised within the three–dimensional spongy structure with channels and so called perforated flexible tensulae membranes of different dimensions intersecting and linking them. Kinetic energy of a mechanical shock may be dissipated within the solid-liquid composite bone structure into heat via the generation of quasi-chaotic hydromechanic micro-turbulence. It may generate electro-kinetic energy in terms of electric currents and potentials. And the resulting specific structural and surface electrochemical changes may induce the compressible intra-osseal liquid to build up pressure dependent free chemical energy. Innovative bone joint prostheses will have to consider and to be adapted to the nano-material aspects of shock absorption in the operated bones. PMID:21625375

Unraveling Structure-Property Relationships in Polymer Blends for Intelligent Materials Design

NASA Astrophysics Data System (ADS)

Irwin, Matthew Tyler

Block polymers provide an accessible route to structured, composite materials by combining two or more components with disparate mechanical, chemical, and electrical properties into a single bulk material with nanoscale domains. However, the characteristic lengthscale of these systems is limited, and the choice of components is restricted to those that are able to undergo microstructural ordering at accessible temperatures. This thesis details routes to overcoming these limitations through the addition of a lithium salt, a blend of homopolymers, or both. Chapter 2 describes a study wherein complex sphere phases such as the Frank-Kasper sigma phase can be observed in otherwise disordered asymmetric block polymers through the addition of a lithium salt. Chapter 3 discusses the development and characterization of a ternary polymer blend of an AB diblock copolymer and A and B homopolymers doped with a lithium salt. Detailed characterization showed that doping blends that are otherwise disordered with lithium salt induced microstructural ordering and largely recovers the phase behavior of traditional ternary polymer blends. A systematic study of the ionic conductivity of the blends at a fixed salt concentration demonstrates that, at a given composition, disordered, yet highly structured blends consistently exhibit better conductivity than polycrystalline morphologies with long range order. Chapter 4 extends the methodology of Chapter 3 and details a systematic study of the effects of cross-linker concentration on the performance of polymer electrolyte membranes produced via polymerization-induced microphase separation that exhibit a highly structured, globally disordered microstructure. Finally, Chapter 5 details efforts to develop a water filtration membrane using a polyethylene template derived from a polymeric bicontinuous microemulsion. Throughout all of this work, the goal is to better understand structure-property relationships at the molecular level in order to ultimately inform design criteria for materials where simultaneous control over morphology and mechanical, chemical, or electrical properties is important.

Room temperature metastable monoclinic phase in BaTiO3 crystals

NASA Astrophysics Data System (ADS)

Lummen, Tom; Wang, Jianjun; Holt, Martin; Kumar, Amit; Vlahos, Eftihia; Denev, Sava; Chen, Long-Qing; Gopalan, Venkatraman

2011-03-01

Low-symmetry monoclinic phases in ferroelectric materials are of considerable interest, due to their associated enhanced electromechanical coupling. Such phases have been found in Pb-based perovskite solid solutions such as lead zirconate titanate (PZT), where they form structural bridges between the rhombohedral and tetragonal ground states in compositional space. In this work, we directly image such a monoclinic phase in BaTi O3 crystals at room-temperature, using optical second harmonic generation, Raman, and X-ray microscopic imaging techniques. Phase-field modeling indicates that ferroelectric domain microstructures in BaTi O3 induce local inhomogeneous stresses in the crystals, which can effectively trap the transient intermediate monoclinic structure that occurs across the thermal orthorhombic-tetragonal phase boundary. The induced metastable monoclinic domains are ferroelectrically soft, being easily moved by electric fields as low as 0.5 kV cm-1 . Stabilizing such intermediate low-symmetry phases could very well lead to Pb-free materials with enhanced piezoelectric properties.

General Syntheses of Nanotubes Induced by Block Copolymer Self-Assembly.

PubMed

Zhao, Jianming; Huang, Wei; Si, Pengchao; Ulstrup, Jens; Diao, Fangyuan; Zhang, Jingdong

2018-06-01

Amphiphilic block copolymer templating strategies are extensively used for syntheses of mesoporous materials. However, monodisperse tubular nanostructures are limited. Here, a general method is developed to synthesize monodisperse nanotubes with narrow diameter distribution induced by self-assembly of block copolymer. 3-Aminophenol (AP) and formaldehyde (F) polymerize and self-assemble with cylindrical PS-b-PEO micelles into worm-like PS-b-PEO@APF composites with uniform diameter (49 ± 3 nm). After template extraction, worm-like APF polymer nanotubes are formed. The structure and morphology of the polymer nanotubes can be tuned by regulating the synthesis conditions. Furthermore, PS-b-PEO@APF composites are uniformly converted to isomorphic carbon nanotubes with large surface area of 662 m 2 g -1 , abundant hierarchical porous frameworks and nitrogen doping. The synthesis can be extended to silica nanotubes. These findings open an avenue to the design of porous materials with controlled structural framework, composition, and properties for a wide range of applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Reversible switching between pressure-induced amorphization and thermal-driven recrystallization in VO2(B) nanosheets

DOE PAGES

Wang, Yonggang; Zhu, Jinlong; Yang, Wenge; ...

2016-07-18

Pressure-induced amorphization (PIA) and thermal-driven recrystallization have been observed in many crystalline materials. However, controllable switching between PIA and a metastable phase has not been described yet, due to the challenge to establish feasible switching methods to control the pressure and temperature precisely. Here, we demonstrate a reversible switching between PIA and thermally-driven recrystallization of VO 2(B) nanosheets. Comprehensive in situ experiments are performed to establish the precise conditions of the reversible phase transformations, which are normally hindered but occur with stimuli beyond the energy barrier. Spectral evidence and theoretical calculations reveal the pressure–structure relationship and the role of flexiblemore » VO x polyhedra in the structural switching process. Anomalous resistivity evolution and the participation of spin in the reversible phase transition are observed for the first time. Our findings have significant implications for the design of phase switching devices and the exploration of hidden amorphous materials.« less

Light-melt adhesive based on dynamic carbon frameworks in a columnar liquid-crystal phase

NASA Astrophysics Data System (ADS)

Saito, Shohei; Nobusue, Shunpei; Tsuzaka, Eri; Yuan, Chunxue; Mori, Chigusa; Hara, Mitsuo; Seki, Takahiro; Camacho, Cristopher; Irle, Stephan; Yamaguchi, Shigehiro

2016-07-01

Liquid crystal (LC) provides a suitable platform to exploit structural motions of molecules in a condensed phase. Amplification of the structural changes enables a variety of technologies not only in LC displays but also in other applications. Until very recently, however, a practical use of LCs for removable adhesives has not been explored, although a spontaneous disorganization of LC materials can be easily triggered by light-induced isomerization of photoactive components. The difficulty of such application derives from the requirements for simultaneous implementation of sufficient bonding strength and its rapid disappearance by photoirradiation. Here we report a dynamic molecular LC material that meets these requirements. Columnar-stacked V-shaped carbon frameworks display sufficient bonding strength even during heating conditions, while its bonding ability is immediately lost by a light-induced self-melting function. The light-melt adhesive is reusable and its fluorescence colour reversibly changes during the cycle, visualizing the bonding/nonbonding phases of the adhesive.

Metastable Superconductivity in Two-Dimensional IrTe2 Crystals.

PubMed

Yoshida, Masaro; Kudo, Kazutaka; Nohara, Minoru; Iwasa, Yoshihiro

2018-05-09

Two-dimensional (2D) materials exhibit unusual physical and chemical properties that are attributed to the thinning-induced modification of their electronic band structure. Recently, reduced thickness was found to dramatically impact not only the static electronic structure, but also the dynamic ordering kinetics. The ordering kinetics of first-order phase transitions becomes significantly slowed with decreasing thickness, and metastable supercooled states can be realized by thinning alone. We therefore focus on layered iridium ditelluride (IrTe 2 ), a charge-ordering system that is transformed into a superconductor by suppressing its first-order transition. Here, we discovered a persistent superconducting zero-resistance state in mechanically exfoliated IrTe 2 thin flakes. The maximum superconducting critical temperature ( T c ) was identical to that which is chemically optimized, and the emergent superconductivity was revealed to have a metastable nature. The discovered robust metastable superconductivity suggests that 2D material is a new platform to induce, control, and functionalize metastable electronic states that are inaccessible in bulk crystals.

Versatility of Evaporation-Induced Self-Assembly (EISA) Method for Preparation of Mesoporous TiO2 for Energy and Environmental Applications

PubMed Central

Mahoney, Luther; Koodali, Ranjit T.

2014-01-01

Evaporation-Induced Self-Assembly (EISA) method for the preparation of mesoporous titanium dioxide materials is reviewed. The versatility of EISA method for the rapid and facile synthesis of TiO2 thin films and powders is highlighted. Non-ionic surfactants such as Pluronic P123, F127 and cationic surfactants such as cetyltrimethylammonium bromide have been extensively employed for the preparation of mesoporous TiO2. In particular, EISA method allows for fabrication of highly uniform, robust, crack-free films with controllable thickness. Eleven characterization techniques for elucidating the structure of the EISA prepared mesoporous TiO2 are discussed in this paper. These many characterization methods provide a holistic picture of the structure of mesoporous TiO2. Mesoporous titanium dioxide materials have been employed in several applications that include Dye Sensitized Solar Cells (DSSCs), photocatalytic degradation of organics and splitting of water, and batteries. PMID:28788590

Laser-induced fluorescence imaging of subsurface tissue structures with a volume holographic spatial-spectral imaging system.

PubMed

Luo, Yuan; Gelsinger-Austin, Paul J; Watson, Jonathan M; Barbastathis, George; Barton, Jennifer K; Kostuk, Raymond K

2008-09-15

A three-dimensional imaging system incorporating multiplexed holographic gratings to visualize fluorescence tissue structures is presented. Holographic gratings formed in volume recording materials such as a phenanthrenquinone poly(methyl methacrylate) photopolymer have narrowband angular and spectral transmittance filtering properties that enable obtaining spatial-spectral information within an object. We demonstrate this imaging system's ability to obtain multiple depth-resolved fluorescence images simultaneously.

Micro-mechanisms of Surface Defects Induced on Aluminum Alloys during Plastic Deformation at Elevated Temperatures

NASA Astrophysics Data System (ADS)

Gali, Olufisayo A.

Near-surface deformed layers developed on aluminum alloys significantly influence the corrosion and tribological behavior as well as reduce the surface quality of the rolled aluminum. The evolution of the near-surface microstructures induced on magnesium containing aluminum alloys during thermomechanical processing has been investigated with the aim generating an understanding of the influence of individual forming parameters on its evolution and examine the microstructure of the roll coating induced on the mating steel roll through material transfer during rolling. The micro-mechanisms related to the various features of near-surface microstructure developed during tribological conditions of the simulated hot rolling process were identified. Thermomechanical processing experiments were performed with the aid of hot rolling (operating temperature: 550 to 460 °C, 4, 10 and 20 rolling pass schedules) and hot forming (operating temperature: 350 to 545 °C, strain rate: 4 x 10-2 s-1) tribo-simulators. The surface, near-surface features and material transfer induced during the elevated temperature plastic deformation were examined and characterized employing optical interferometry, SEM/EDS, FIB and TEM. Near-surface features characterized on the rolled aluminum alloys included; cracks, fractured intermetallic particles, aluminum nano-particles, oxide decorated grain boundaries, rolled-in oxides, shingles and blisters. These features were related to various individual rolling parameters which included, the work roll roughness, which induced the formation of shingles, rolling marks and were responsible for the redistribution of surface oxide and the enhancements of the depth of the near-surface damage. The enhanced stresses and strains experienced during rolling were related to the formation and propagation of cracks, the nanocrystalline structure of the near-surface layers and aluminum nano-particles. The mechanism of the evolution of the near-surface microstructure were determined to include grain boundary sliding which induced the cracks at the surface and subsurface of the alloy, magnesium diffusion to free surfaces, crack propagation from shear stresses and the shear strains inducing the nanocrystalline grain structure, the formation of shingles by the shear deformation of micro-wedges induced by the work roll grooves, and the deformation of this oxide covered micro-wedges inducing the rolled-in oxides. Magnesium diffusion to free surfaces was identified as inducing crack healing due to the formation of MgO within cracks and was responsible for the oxide decorated grain boundaries. An examination of the roll coating revealed a complex layered microstructure that was induced through tribo-chemical and mechanical entrapment mechanisms. The microstructure of the roll coating suggested that the work roll material and the rolled aluminum alloy were essential in determining its composition and structure. Subsequent hot forming processes revealed the rich oxide-layer of the near-surface microstructure was beneficial for reducing the coefficient of friction during tribological contact with the steel die. Damage to the microstructure include cracks induced from grain boundary sliding of near-surface grains and the formation of oxide fibres within cracks of the near-surface deformed layers.

Structural Rearrangement of Energetic Materials under an External Electric Field: A Case Study of Nitromethane.

PubMed

Liu, Yingzhe; Ma, Yiding; Yu, Tao; Lai, Weipeng; Guo, Wangjun; Ge, Zhongxue; Ma, Zhinan

2018-03-01

As a significant stimulus, the external electric field (EEF) can change the decomposition mechanism and energy release of energetic materials (EMs). Hence, understanding the response of EMs to an EEF is greatly meaningful for their safe usage. Herein, the structural arrangement, a crucial factor in the impact sensitivity and detonation performance of EMs, under the EEF ranging from 0.0 to 0.5 V/Å was investigated via molecular dynamics simulation. Nitromethane (NM) was taken as a case study due to the simple structure. The simulation results show that there exists a critical EEF strength between 0.2 and 0.3 V/Å, which can induce the transition of NM molecules from relatively disordered distribution to solidlike ordered and compacted arrangement with a large density. In this ordered structure, NM dipoles are aligned in a head-to-tail pattern parallel to the EEF direction because of the favored dipole-dipole interactions and weak C-H···O hydrogen bonds. As the EEF strength is enhanced, the potential energy and cohesive energy density of the NM system gradually decrease and increase, respectively, indicative of high thermodynamics stability of ordered arrangement. The results reported here also shed light on the potential of the EEF to induce the nucleation and crystallization to explore new polymorphs of EMs.

Novel Dual-band Band-Pass Filters Based on Surface Plasmon Polariton-like Propagation Induced by Structural Dispersion of Substrate Integrated Waveguide.

PubMed

Cselyuszka, Norbert; Sakotic, Zarko; Kitic, Goran; Crnojevic-Bengin, Vesna; Jankovic, Nikolina

2018-05-29

In this paper, we present two novel dual-band bandpass filters based on surface plasmon polariton-like (SPP-like) propagation induced by structural dispersion of substrate integrated waveguide (SIW). Both filters are realized as a three-layer SIW where each layer represents a sub-SIW structure with intrinsic effective permittivity that depends on its width and filling dielectric material. The layers are designed to have effective permittivities of opposite signs in certain frequency ranges, which enables SPP-like propagation to occur at their interfaces. Since three layers can provide two distinct SPP-like propagations, the filters exhibit dual-band behaviour. A detailed theoretical and numerical analysis and numerical optimization have been used to design the filters, which were afterwards fabricated using standard printed circuit board technology. The independent choice of geometrical parameters of sub-SIWs and/or the corresponding dielectric materials provide a great freedom to arbitrarily position the passbands in the spectrum, which is a significant advantage of the proposed filters. At the same time, they meet the requirements for low-cost low-profile configuration since they are realized as SIW structures, as well as for excellent in-band characteristics and selectivity which is confirmed by the measurement results.

The role of stoichiometric vacancy periodicity in pressure-induced amorphization of the Ga{sub 2}SeTe{sub 2} semiconductor alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abdul-Jabbar, N. M.; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720; Kalkan, B.

2014-08-04

We observe that pressure-induced amorphization of Ga{sub 2}SeTe{sub 2} (a III-VI semiconductor) is directly influenced by the periodicity of its intrinsic defect structures. Specimens with periodic and semi-periodic two-dimensional vacancy structures become amorphous around 10–11 GPa in contrast to those with aperiodic structures, which amorphize around 7–8 GPa. The result is an instance of altering material phase-change properties via rearrangement of stoichiometric vacancies as opposed to adjusting their concentrations. Based on our experimental findings, we posit that periodic two-dimensional vacancy structures in Ga{sub 2}SeTe{sub 2} provide an energetically preferred crystal lattice that is less prone to collapse under applied pressure. This ismore » corroborated through first-principles electronic structure calculations, which demonstrate that the energy stability of III-VI structures under hydrostatic pressure is highly dependent on the configuration of intrinsic vacancies.« less

Mean-field study of correlation-induced antisymmetric spin-orbit coupling in a two-orbital honeycomb model

NASA Astrophysics Data System (ADS)

Hayami, Satoru; Kusunose, Hiroaki; Motome, Yukitoshi

2018-05-01

We investigate a two-orbital Hubbard model on a honeycomb structure, with a special focus on the antisymmetric spin-orbit coupling (ASOC) induced by symmetry breaking in the electronic degrees of freedom. By investigating the ground-state phase diagram by the mean-field approximation in addition to the analysis in the strong correlation limit, we obtain a variety of symmetry-broken phases that induce different types of effective ASOCs by breaking of spatial inversion symmetry. We find several unusual properties emergent from the ASOCs, such as a linear magnetoelectric effect in a spin-orbital ordered phase at 1/4 filling and a spin splitting in the band structure in charge ordered phases at 1/4 and 1/2 fillings. We also show that a staggered potential on the honeycomb structure leads to another type of ASOC, which gives rise to a valley splitting in the band structure at 1/2 filling. We discuss the experimental relevance of our results to candidate materials including transition metal dichalcogenides and trichalcogenides.

High speed inscription of uniform, large-area laser-induced periodic surface structures in Cr films using a high repetition rate fs laser.

PubMed

Ruiz de la Cruz, A; Lahoz, R; Siegel, J; de la Fuente, G F; Solis, J

2014-04-15

We report on the fabrication of laser-induced periodic surface structures in Cr films upon high repetition rate fs laser irradiation (up to 1 MHz, 500 fs, 1030 nm), employing beam scanning. Highly regular large-area (9  cm2) gratings with a relative diffraction efficiency of 42% can be produced within less than 6 min. The ripple period at moderate and high fluences is 0.9 μm, with a small period of 0.5 μm appearing at lower energies. The role of the irradiation parameters on the characteristics of the laser-induced periodic surface structures (LIPSS) is studied and discussed in the frame of the models presently used. We have identified the polarization vector orientation with respect to the scan direction as a key parameter for the fabrication of high-quality, large-area LIPSS, which, for perpendicular orientation, allows the coherent extension of the sub-wavelength structure over macroscopic distances. The processing strategy is robust in terms of broad parameter windows and applicable to other materials featuring LIPSS.

Photoinitated charge separation in a hybrid titanium dioxide metalloporphyrin peptide material

NASA Astrophysics Data System (ADS)

Fry, H. Christopher; Liu, Yuzi; Dimitrijevic, Nada M.; Rajh, Tijana

2014-08-01

In natural systems, electron flow is mediated by proteins that spatially organize donor and acceptor molecules with great precision. Achieving this guided, directional flow of information is a desirable feature in photovoltaic media. Here, we design self-assembled peptide materials that organize multiple electronic components capable of performing photoinduced charge separation. Two peptides, c16-AHL3K3-CO2H and c16-AHL3K9-CO2H, self-assemble into fibres and provide a scaffold capable of binding a metalloporphyrin via histidine axial ligation and mineralize titanium dioxide (TiO2) on the lysine-rich surface of the resulting fibrous structures. Electron paramagnetic resonance studies of this self-assembled material under continuous light excitation demonstrate charge separation induced by excitation of the metalloporphyrin and mediated by the peptide assembly structure. This approach to dye-sensitized semiconducting materials offers a means to spatially control the dye molecule with respect to the semiconducting material through careful, strategic peptide design.

Gelation induced supramolecular chirality: chirality transfer, amplification and application.

PubMed

Duan, Pengfei; Cao, Hai; Zhang, Li; Liu, Minghua

2014-08-14

Supramolecular chirality defines chirality at the supramolecular level, and is generated from the spatial arrangement of component molecules assembling through non-covalent interactions such as hydrogen bonding, van der Waals interactions, π-π stacking, hydrophobic interactions and so on. During the formation of low molecular weight gels (LMWGs), one kind of fascinating soft material, one frequently encounters the phenomenon of chirality as well as chiral nanostructures, either from chiral gelators or even achiral gelators. A view of gelation-induced supramolecular chirality will be very helpful to understand the self-assembly process of the gelator molecules as well as the chiral structures, the regulation of the chirality in the gels and the development of the "smart" chiral materials such as chiroptical devices, catalysts and chiral sensors. It necessitates fundamental understanding of chirality transfer and amplification in these supramolecular systems. In this review, recent progress in gelation-induced supramolecular chirality is discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Varga, Tamas

Despite the fact that all chemical bonds expand on heating, a small class of materials shrinks when heated. These, so called negative thermal expansion (NTE) materials, are a unique class of materials with some exotic properties. The present chapter offers insight into the structural aspects of pressure- (or temperature-) induced phase transformations, and the energetics of those changes in these fascinating materials, in particular NTE compound cubic ZrW2O8, orthorhombic Sc2W3O12 and Sc2Mo3O12, as well as other members of the 'scandium tungstate family'. In subsequent sections, (i) combined in situ high-pressure synchrotron XRD and XAS studies of NTE material ZrW2O8; (ii)more » an in situ high-pressure synchrotron XRD study of Sc2W3O12, Sc2Mo3O12, and Al2W3O12; and (iii) thermochemical studies of the above materials are presented and discussed. In all of these studies, chemical bonds change, sometimes break and new ones form. Correlations between structure, chemistry, and energetics are revealed. It is also shown that (iv) NTE materials are good candidates as precursors to make novel solid state materials, such as the conducting Sc0.67WO4, using high-pressure, high-temperature synthesis, through modification of bonding and electronic structure, and thus provide vast opportunities for scientific exploration.« less

Color from hierarchy: Diverse optical properties of micron-sized spherical colloidal assemblies.

PubMed

Vogel, Nicolas; Utech, Stefanie; England, Grant T; Shirman, Tanya; Phillips, Katherine R; Koay, Natalie; Burgess, Ian B; Kolle, Mathias; Weitz, David A; Aizenberg, Joanna

2015-09-01

Materials in nature are characterized by structural order over multiple length scales have evolved for maximum performance and multifunctionality, and are often produced by self-assembly processes. A striking example of this design principle is structural coloration, where interference, diffraction, and absorption effects result in vivid colors. Mimicking this emergence of complex effects from simple building blocks is a key challenge for man-made materials. Here, we show that a simple confined self-assembly process leads to a complex hierarchical geometry that displays a variety of optical effects. Colloidal crystallization in an emulsion droplet creates micron-sized superstructures, termed photonic balls. The curvature imposed by the emulsion droplet leads to frustrated crystallization. We observe spherical colloidal crystals with ordered, crystalline layers and a disordered core. This geometry produces multiple optical effects. The ordered layers give rise to structural color from Bragg diffraction with limited angular dependence and unusual transmission due to the curved nature of the individual crystals. The disordered core contributes nonresonant scattering that induces a macroscopically whitish appearance, which we mitigate by incorporating absorbing gold nanoparticles that suppress scattering and macroscopically purify the color. With increasing size of the constituent colloidal particles, grating diffraction effects dominate, which result from order along the crystal's curved surface and induce a vivid polychromatic appearance. The control of multiple optical effects induced by the hierarchical morphology in photonic balls paves the way to use them as building blocks for complex optical assemblies--potentially as more efficient mimics of structural color as it occurs in nature.

Color from hierarchy: Diverse optical properties of micron-sized spherical colloidal assemblies

PubMed Central

Vogel, Nicolas; Utech, Stefanie; England, Grant T.; Shirman, Tanya; Phillips, Katherine R.; Koay, Natalie; Burgess, Ian B.; Kolle, Mathias; Weitz, David A.; Aizenberg, Joanna

2015-01-01

Materials in nature are characterized by structural order over multiple length scales have evolved for maximum performance and multifunctionality, and are often produced by self-assembly processes. A striking example of this design principle is structural coloration, where interference, diffraction, and absorption effects result in vivid colors. Mimicking this emergence of complex effects from simple building blocks is a key challenge for man-made materials. Here, we show that a simple confined self-assembly process leads to a complex hierarchical geometry that displays a variety of optical effects. Colloidal crystallization in an emulsion droplet creates micron-sized superstructures, termed photonic balls. The curvature imposed by the emulsion droplet leads to frustrated crystallization. We observe spherical colloidal crystals with ordered, crystalline layers and a disordered core. This geometry produces multiple optical effects. The ordered layers give rise to structural color from Bragg diffraction with limited angular dependence and unusual transmission due to the curved nature of the individual crystals. The disordered core contributes nonresonant scattering that induces a macroscopically whitish appearance, which we mitigate by incorporating absorbing gold nanoparticles that suppress scattering and macroscopically purify the color. With increasing size of the constituent colloidal particles, grating diffraction effects dominate, which result from order along the crystal’s curved surface and induce a vivid polychromatic appearance. The control of multiple optical effects induced by the hierarchical morphology in photonic balls paves the way to use them as building blocks for complex optical assemblies—potentially as more efficient mimics of structural color as it occurs in nature. PMID:26290583

Pressure-induced multiband superconductivity in pyrite PtB i2 with perfect electron-hole compensation

NASA Astrophysics Data System (ADS)

Chen, Xuliang; Shao, Dexi; Gu, Chuanchuan; Zhou, Yonghui; An, Chao; Zhou, Ying; Zhu, Xiangde; Chen, Tong; Tian, Mingliang; Sun, Jian; Yang, Zhaorong

2018-05-01

We report on the discovery of pressure-induced superconductivity in the compensated semimetal pyrite PtB i2 , which exhibits extreme magnetoresistance (XMR) and nontrivial band structure at ambient pressure. The appearance of superconductivity, first observed at PC˜13 GPa with an onset critical temperature TC of ˜2.2 K , is accompanied by a pronounced enhancement of the density of electrons and holes based on Hall-effect measurements. Upon further compression, TC remains almost unchanged up to 50.0 GPa; remarkably, the perfect electron-hole compensation still holds, while the carrier mobility greatly reduces. No evident trace of structural phase transitions is detected through synchrotron x-ray diffraction over the measured pressure range of 1.5-51.2 GPa. These results highlight a multiband characteristic of the observed superconductivity, making pyrite PtB i2 unique among the compensated XMR materials where the pressure-induced superconductivity usually links to structural transitions and carrier imbalance.

Programming self-organizing multicellular structures with synthetic cell-cell signaling.

PubMed

Toda, Satoshi; Blauch, Lucas R; Tang, Sindy K Y; Morsut, Leonardo; Lim, Wendell A

2018-05-31

A common theme in the self-organization of multicellular tissues is the use of cell-cell signaling networks to induce morphological changes. We used the modular synNotch juxtacrine signaling platform to engineer artificial genetic programs in which specific cell-cell contacts induced changes in cadherin cell adhesion. Despite their simplicity, these minimal intercellular programs were sufficient to yield assemblies with hallmarks of natural developmental systems: robust self-organization into multi-domain structures, well-choreographed sequential assembly, cell type divergence, symmetry breaking, and the capacity for regeneration upon injury. The ability of these networks to drive complex structure formation illustrates the power of interlinking cell signaling with cell sorting: signal-induced spatial reorganization alters the local signals received by each cell, resulting in iterative cycles of cell fate branching. These results provide insights into the evolution of multi-cellularity and demonstrate the potential to engineer customized self-organizing tissues or materials. Copyright © 2018, American Association for the Advancement of Science.

Thermal-induced phase transition and assembly of hexagonal metastable In 2O 3 nanocrystals: A new approach to In 2O 3 functional materials

NASA Astrophysics Data System (ADS)

Shu, Shiwen; Yu, Dabin; Wang, Yan; Wang, Feng; Wang, Zirong; Zhong, Wu

2010-10-01

This paper reports on the thermal-induced performance of hexagonal metastable In 2O 3 nanocrystals involving in phase transition and assembly, with particular emphasis on the assembly for the preparation of functional materials. For In 2O 3 nanocrystals, the metastable phase was found to be thermally unstable and transform to cubic phase when temperature was higher than 600 °C, accompanied by assembly as well as evolution of optical properties, but the two polymorphs coexisted at the temperature ranging from 600 to 900 °C, during which the content of product phase and crystal size gradually increased upon increasing temperature. The assembly of In 2O 3 nanocrystals can be developed to fabricate In 2O 3 functional materials, such as various ceramic materials, or even desired nano- or micro-structures, by using metastable In 2O 3 nanocrystals as precursors or building blocks. The electrical resistivity of In 2O 3 conductive film fabricated by a hot-pressing route was as low as 3.72×10 -3 Ω cm, close to that of In 2O 3 single crystal, which is important for In 2O 3 that is always used as conductive materials. The findings should be of importance for both the wide applications of In 2O 3 in optical and electronic devices and theoretical investigations on crystal structures.

Tuning charge–discharge induced unit cell breathing in layer-structured cathode materials for lithium-ion batteries

DOE PAGES

Zhou, Yong-Ning; Ma, Jun; Hu, Enyuan; ...

2014-11-18

Through a systematic study of lithium molybdenum trioxide (Li 2MoO 3), a new ‘unit cell breathing’ mechanism is introduced based on both crystal and electronic structural changes of transition metal oxide cathode materials during charge–discharge: For widely used LiMO 2 (M = Co, Ni, Mn), lattice parameters, a and b, contracts during charge. However, for Li 2MoO 3, such changes are in opposite directions. Metal–metal bonding is used to explain such ‘abnormal’ behaviour and a generalized hypothesis is developed. The expansion of M–M bond becomes the controlling factor for a(b) evolution during charge, in contrast to the shrinking M–O asmore » controlling factor in ‘normal’ materials. The cation mixing caused by migration of Mo ions at higher oxidation state provides the benefits of reducing the c expansion range in early stage of charging and suppressing the structure collapse at high voltage charge. These results open a new strategy for designing and engineering layered cathode materials for high energy density lithium-ion batteries.« less

The material and biological characteristics of osteoinductive calcium phosphate ceramics

PubMed Central

Tang, Zhurong; Li, Xiangfeng; Tan, Yanfei

2018-01-01

Abstract The discovery of osteoinductivity of calcium phosphate (Ca-P) ceramics has set an enduring paradigm of conferring biological regenerative activity to materials with carefully designed structural characteristics. The unique phase composition and porous structural features of osteoinductive Ca-P ceramics allow it to interact with signaling molecules and extracellular matrices in the host system, creating a local environment conducive to new bone formation. Mounting evidence now indicate that the osteoinductive activity of Ca-P ceramics is linked to their physicochemical and three-dimensional structural properties. Inspired by this conceptual breakthrough, many laboratories have shown that other materials can be also enticed to join the rank of tissue-inducing biomaterials, and besides the bones, other tissues such as cartilage, nerves and blood vessels were also regenerated with the assistance of biomaterials. Here, we give a brief historical recount about the discovery of the osteoinductivity of Ca-P ceramics, summarize the underlying material factors and biological characteristics, and discuss the mechanism of osteoinduction concerning protein adsorption, and the interaction with different types of cells, and the involvement of the vascular and immune systems. PMID:29423267

Study of self-ion irradiated nanostructured ferritic alloy (NFA) and silicon carbide-nanostructured ferritic alloy (SiC-NFA) cladding materials

NASA Astrophysics Data System (ADS)

Ning, Kaijie; Bai, Xianming; Lu, Kathy

2018-07-01

Silicon carbide-nanostructured ferritic alloy (SiC-NFA) materials are expected to have the beneficial properties of each component for advanced nuclear claddings. Fabrication of pure NFA (0 vol% SiC-100 vol% NFA) and SiC-NFAs (2.5 vol% SiC-97.5 vol% NFA, 5 vol% SiC-95 vol% NFA) has been reported in our previous work. This paper is focused on the study of radiation damage in these materials under 5 MeV Fe++ ion irradiation with a dose up to ∼264 dpa. It is found that the material surfaces are damaged to high roughness with irregularly shaped ripples, which can be explained by the Bradley-Harper (B-H) model. The NFA matrix shows ion irradiation induced defect clusters and small dislocation loops, while the crystalline structure is maintained. Reaction products of Fe3Si and Cr23C6 are identified in the SiC-NFA materials, with the former having a partially crystalline structure but the latter having a fully amorphous structure upon irradiation. The different radiation damage behaviors of NFA, Fe3Si, and Cr23C6 are explained using the defect reaction rate theory.

Mechanical and thermal stability of graphene and graphene-based materials

NASA Astrophysics Data System (ADS)

Galashev, A. E.; Rakhmanova, O. R.

2014-10-01

Graphene has rapidly become one of the most popular materials for technological applications and a test material for new condensed matter ideas. This paper reviews the mechanical properties of graphene and effects related to them that have recently been discovered experimentally or predicted theoretically or by simulation. The topics discussed are of key importance for graphene's use in integrated electronics, thermal materials, and electromechanical devices and include the following: graphene transformation into other sp^2 hybridization forms; stability to stretching and compression; ion-beam-induced structural modifications; how defects and graphene edges affect the electronic properties and thermal stability of graphene and related composites.

New photosensitive systems for volume phase holography

NASA Astrophysics Data System (ADS)

Bianco, Andrea; Colella, Letizia; Galli, Paola; Zanutta, Alessio; Bertarelli, Chiara

2017-05-01

Volume phase holographic elements are becoming attractive thanks to the large efficiency and good optical quality. They are based on photosensitive materials where a modulation of the refractive index is induced. In this paper, we highlight the strategies to obtain a change in the refractive index in a dielectric material, namely a change in the material density and/or in the molecular polarizability. Moreover, we show the results achieved for materials that undergo the photo-Fries reaction as function of the molecular structure and the illumination conditions. We also report the results on a system based on the diazo Meldrum's acid where volatile molecules are produced upon light exposure.

Bone-Inspired Spatially Specific Piezoelectricity Induces Bone Regeneration

PubMed Central

Yu, Peng; Ning, Chengyun; Zhang, Yu; Tan, Guoxin; Lin, Zefeng; Liu, Shaoxiang; Wang, Xiaolan; Yang, Haoqi; Li, Kang; Yi, Xin; Zhu, Ye; Mao, Chuanbin

2017-01-01

The extracellular matrix of bone can be pictured as a material made of parallel interspersed domains of fibrous piezoelectric collagenous materials and non-piezoelectric non-collagenous materials. To mimic this feature for enhanced bone regeneration, a material made of two parallel interspersed domains, with higher and lower piezoelectricity, respectively, is constructed to form microscale piezoelectric zones (MPZs). The MPZs are produced using a versatile and effective laser-irradiation technique in which K0.5Na0.5NbO3 (KNN) ceramics are selectively irradiated to achieve microzone phase transitions. The phase structure of the laser-irradiated microzones is changed from a mixture of orthorhombic and tetragonal phases (with higher piezoelectricity) to a tetragonal dominant phase (with lower piezoelectricity). The microzoned piezoelectricity distribution results in spatially specific surface charge distribution, enabling the MPZs to bear bone-like microscale electric cues. Hence, the MPZs induce osteogenic differentiation of stem cells in vitro and bone regeneration in vivo even without being seeded with stem cells. The concept of mimicking the spatially specific piezoelectricity in bone will facilitate future research on the rational design of tissue regenerative materials. PMID:28900517

Laser-assisted fabrication of single-layer flexible touch sensor

PubMed Central

Son, Seokwoo; Park, Jong Eun; Lee, Joohyung; Yang, Minyang; Kang, Bongchul

2016-01-01

Single-layer flexible touch sensor that is designed for the indium-tin-oxide (ITO)-free, bendable, durable, multi-sensible, and single layer transparent touch sensor was developed via a low-cost and one-step laser-induced fabrication technology. To this end, an entirely novel approach involving material, device structure, and even fabrication method was adopted. Conventional metal oxides based multilayer touch structure was substituted by the single layer structure composed of integrated silver wire networks of sensors and bezel interconnections. This structure is concurrently fabricated on a glass substitutive plastic film via the laser-induced fabrication method using the low-cost organometallic/nanoparticle hybrid complex. In addition, this study addresses practical solutions to heterochromia and interference problem with a color display unit. As a result, a practical touch sensor is successfully demonstrated through resolving the heterochromia and interference problems with color display unit. This study could provide the breakthrough for early realization of wearable device. PMID:27703204

8 MeV electron beam induced modifications in the thermal, structural and electrical properties of nanophase CeO2 for potential electronics applications

NASA Astrophysics Data System (ADS)

Babitha, K. K.; Sreedevi, A.; Priyanka, K. P.; Ganesh, S.; Varghese, Thomas

2018-06-01

The effect of 8 MeV electron beam irradiation on the thermal, structural and electrical properties of CeO2 nanoparticles synthesized by chemical precipitation route was investigated. The dose dependent effect of electron irradiation was studied using various characterization techniques such as, thermogravimetric and differential thermal analyses, X-ray diffraction, Fourier transformed infrared spectroscopy and impedance spectroscopy. Systematic investigation based on the results of structural studies confirm that electron beam irradiation induces defects and particle size variation on CeO2 nanoparticles, which in turn results improvements in AC conductivity, dielectric constant and loss tangent. Structural modifications and high value of dielectric constant for CeO2 nanoparticles due to electron beam irradiation make it as a promising material for the fabrication of gate dielectric in metal oxide semiconductor devices.

Induced radioactivity of LDEF materials and structural components

NASA Technical Reports Server (NTRS)

Harmon, B. A.; Laird, C. E.; Fishman, G. J.; Parnell, T. A.; Camp, D. C.; Frederick, C. E.; Hurley, D. L.; Lindstrom, D. J.; Moss, C. E.; Reedy, R. C.;

Analytical one-dimensional model for laser-induced ultrasound in planar optically absorbing layer.

PubMed

Svanström, Erika; Linder, Tomas; Löfqvist, Torbjörn

2014-03-01

Ultrasound generated by means of laser-based photoacoustic principles are in common use today and applications can be found both in biomedical diagnostics, non-destructive testing and materials characterisation. For certain measurement applications it could be beneficial to shape the generated ultrasound regarding spectral properties and temporal profile. To address this, we studied the generation and propagation of laser-induced ultrasound in a planar, layered structure. We derived an analytical expression for the induced pressure wave, including different physical and optical properties of each layer. A Laplace transform approach was employed in analytically solving the resulting set of photoacoustic wave equations. The results correspond to simulations and were compared to experimental results. To enable the comparison between recorded voltage from the experiments and the calculated pressure we employed a system identification procedure based on physical properties of the ultrasonic transducer to convert the calculated acoustic pressure to voltages. We found reasonable agreement between experimentally obtained voltages and the voltages determined from the calculated acoustic pressure, for the samples studied. The system identification procedure was found to be unstable, however, possibly from violations of material isotropy assumptions by film adhesives and coatings in the experiment. The presented analytical model can serve as a basis when addressing the inverse problem of shaping an acoustic pulse from absorption of a laser pulse in a planar layered structure of elastic materials. Copyright © 2013 Elsevier B.V. All rights reserved.

Materials-by-design: computation, synthesis, and characterization from atoms to structures

NASA Astrophysics Data System (ADS)

Yeo, Jingjie; Jung, Gang Seob; Martín-Martínez, Francisco J.; Ling, Shengjie; Gu, Grace X.; Qin, Zhao; Buehler, Markus J.

2018-05-01

In the 50 years that succeeded Richard Feynman’s exposition of the idea that there is ‘plenty of room at the bottom’ for manipulating individual atoms for the synthesis and manufacturing processing of materials, the materials-by-design paradigm is being developed gradually through synergistic integration of experimental material synthesis and characterization with predictive computational modeling and optimization. This paper reviews how this paradigm creates the possibility to develop materials according to specific, rational designs from the molecular to the macroscopic scale. We discuss promising techniques in experimental small-scale material synthesis and large-scale fabrication methods to manipulate atomistic or macroscale structures, which can be designed by computational modeling. These include recombinant protein technology to produce peptides and proteins with tailored sequences encoded by recombinant DNA, self-assembly processes induced by conformational transition of proteins, additive manufacturing for designing complex structures, and qualitative and quantitative characterization of materials at different length scales. We describe important material characterization techniques using numerous methods of spectroscopy and microscopy. We detail numerous multi-scale computational modeling techniques that complements these experimental techniques: DFT at the atomistic scale; fully atomistic and coarse-grain molecular dynamics at the molecular to mesoscale; continuum modeling at the macroscale. Additionally, we present case studies that utilize experimental and computational approaches in an integrated manner to broaden our understanding of the properties of two-dimensional materials and materials based on silk and silk-elastin-like proteins.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reimanis, Ivar; Cioabanu, Cristian

The study of materials with unusual properties offers new insight into structure-property relations as well as promise for the design of novel composites. In this spirit, the PIs seek to (1) understand fundamental mechanical phenomena in ceramics that exhibit pressure-induced phase transitions, negative coefficient of thermal expansion (CTE), and negative compressibility, and (2) explore the effect of these phenomena on the mechanical behavior of composites designed with such ceramics. The broad and long-term goal is to learn how to utilize these unusual behaviors to obtain desired mechanical responses. While the results are expected to be widely applicable to many ceramics,more » most of the present focus is on silicates, as they exhibit remarkable diversity in structure and properties. Eucryptite, a lithium aluminum silicate (LiAlSiO 4), is specifically targeted because it exhibits a pressure-induced phase transition at a sufficiently low pressure to be accessible during conventional materials processing. Thus, composites with eucryptite may be designed to exhibit a novel type of transformation toughening. The PIs have performed a combination of activities that encompass synthesis and processing to control structures, atomistic modeling to predict and understand structures, and characterization to study mechanical behavior. Several materials behavior discoveries were made. It was discovered that small amounts of Zn (as small as 0.1 percent by mol) reverse the sign of the coefficient of thermal expansion of beta-eucryptite from negative to slightly positive. The presence of Zn also significantly mitigates microcracking that occurs during thermal cycling of eucryptite. It is hypothesized that Zn disrupts the Li ordering in beta-eucryptite, thereby altering the thermal expansion behavior. A nanoindentation technique developed to characterize incipient plasticity was applied to examine the initial stages of the pressure induced phase transformation from beta to epsilon-eucryptite and show that the transformation nucleation is related to the motion of the tetrahedral units making up the structure. It was revealed that the conduction of Li ions through the structure is also dictated by the tetrahedral unit arrangement and how their positions change with temperature. The critical pressure to obtain the high pressure phase of eucryptite was shown to depend on the grain size. The structure of the high pressure phase was determined with a combination of atomistic modeling and in situ x-ray diffraction experiments.« less

Surface and Interface Engineering of Noble-Metal-Free Electrocatalysts for Efficient Energy Conversion Processes.

PubMed

Zhu, Yun Pei; Guo, Chunxian; Zheng, Yao; Qiao, Shi-Zhang

2017-04-18

Developing cost-effective and high-performance electrocatalysts for renewable energy conversion and storage is motivated by increasing concerns regarding global energy security and creating sustainable technologies dependent on inexpensive and abundant resources. Recent achievements in the design and synthesis of efficient non-precious-metal and even non-metal electrocatalysts make the replacement of noble metal counterparts for the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and oxygen reduction reaction (ORR) with earth-abundant elements, for example, C, N, Fe, Mn, and Co, a realistic possibility. It has been found that surface atomic engineering (e.g., heteroatom-doping) and interface atomic or molecular engineering (e.g., interfacial bonding) can induce novel physicochemical properties and strong synergistic effects for electrocatalysts, providing new and efficient strategies to greatly enhance the catalytic activities. In this Account, we discuss recent progress in the design and fabrication of efficient electrocatalysts based on carbon materials, graphitic carbon nitride, and transition metal oxides or hydroxides for efficient ORR, OER, and HER through surface and interfacial atomic and molecular engineering. Atomic and molecular engineering of carbon materials through heteroatom doping with one or more elements of noticeably different electronegativities can maximally tailor their electronic structures and induce a synergistic effect to increase electrochemical activity. Nonetheless, the electrocatalytic performance of chemically modified carbonaceous materials remains inferior to that of their metallic counterparts, which is mainly due to the relatively limited amount of electrocatalytic active sites induced by heteroatom doping. Accordingly, coupling carbon substrates with other active electrocatalysts to produce composite structures can impart novel physicochemical properties, thereby boosting the electroactivity even further. Although the majority of carbon-based materials remain uncompetitive with state-of-the-art metal-based catalysts for the aforementioned catalytic processes, non-metal carbon hybrids have already shown performance that typically only conventional noble metals or transition metal materials can achieve. The idea of hybridized carbon-based catalysts possessing unique active surfaces and macro- or nanostructures is addressed herein. For metal-carbon couples, the incorporation of carbon can effectively compensate for the intrinsic deficiency in conductivity of the metallic components. Chemical modification of carbon frameworks, such as nitrogen doping, not only can change the electron-donor character, but also can introduce anchoring sites for immobilizing active metallic centers to form metal-nitrogen-carbon (M-N-C) species, which are thought to facilitate the electrocatalytic process. With thoughtful material design, control over the porosity of composites, the molecular architecture of active metal moieties and macromorphologies of the whole catalysts can be achieved, leading to a better understanding structure-activity relationships. We hope that we can offer new insight into material design, particularly the role of chemical composition and structural properties in electrochemical performance and reaction mechanisms.

Current induced polycrystalline-to-crystalline transformation in vanadium dioxide nanowires

PubMed Central

Jeong, Junho; Yong, Zheng; Joushaghani, Arash; Tsukernik, Alexander; Paradis, Suzanne; Alain, David; Poon, Joyce K. S.

2016-01-01

Vanadium dioxide (VO2) exhibits a reversible insulator-metal phase transition that is of significant interest in energy-efficient nanoelectronic and nanophotonic devices. In these applications, crystalline materials are usually preferred for their superior electrical transport characteristics as well as spatial homogeneity and low surface roughness over the device area for reduced scattering. Here, we show applied electrical currents can induce a permanent reconfiguration of polycrystalline VO2 nanowires into crystalline nanowires, resulting in a dramatically reduced hysteresis across the phase transition and reduced resistivity. Low currents below 3 mA were sufficient to cause the local temperature in the VO2 to reach about 1780 K to activate the irreversible polycrystalline-to-crystalline transformation. The crystallinity was confirmed by electron microscopy and diffraction analyses. This simple yet localized post-processing of insulator-metal phase transition materials may enable new methods of studying and fabricating nanoscale structures and devices formed from these materials. PMID:27892519

A shear localization mechanism for lubricity of amorphous carbon materials

PubMed Central

Ma, Tian-Bao; Wang, Lin-Feng; Hu, Yuan-Zhong; Li, Xin; Wang, Hui

2014-01-01

Amorphous carbon is one of the most lubricious materials known, but the mechanism is not well understood. It is counterintuitive that such a strong covalent solid could exhibit exceptional lubricity. A prevailing view is that lubricity of amorphous carbon results from chemical passivation of dangling bonds on surfaces. Here we show instead that lubricity arises from shear induced strain localization, which, instead of homogeneous deformation, dominates the shearing process. Shear localization is characterized by covalent bond reorientation, phase transformation and structural ordering preferentially in a localized region, namely tribolayer, resulting in shear weakening. We further demonstrate an anomalous pressure induced transition from stick-slip friction to continuous sliding with ultralow friction, due to gradual clustering and layering of graphitic sheets in the tribolayer. The proposed shear localization mechanism sheds light on the mechanism of superlubricity, and would enrich our understanding of lubrication mechanism of a wide variety of amorphous materials. PMID:24412998

Lightweight Mechanical Metamaterials with Tunable Negative Thermal Expansion

NASA Astrophysics Data System (ADS)

Wang, Qiming; Jackson, Julie A.; Ge, Qi; Hopkins, Jonathan B.; Spadaccini, Christopher M.; Fang, Nicholas X.

2016-10-01

Ice floating on water is a great manifestation of negative thermal expansion (NTE) in nature. The limited examples of natural materials possessing NTE have stimulated research on engineered structures. Previous studies on NTE structures were mostly focused on theoretical design with limited experimental demonstration in two-dimensional planar geometries. In this work, aided with multimaterial projection microstereolithography, we experimentally fabricate lightweight multimaterial lattices that exhibit significant negative thermal expansion in three directions and over a temperature range of 170 degrees. Such NTE is induced by the structural interaction of material components with distinct thermal expansion coefficients. The NTE can be tuned over a large range by varying the thermal expansion coefficient difference between constituent beams and geometrical arrangements. Our experimental results match qualitatively with a simple scaling law and quantitatively with computational models.

Phase transformation and microstructural evolution of nanostructured oxides and nitrides under ion irradiations

NASA Astrophysics Data System (ADS)

Lu, Fengyuan

Material design at the nanometer scale is an effective strategy for developing advanced materails with enhanced radiation tolerance for advanced nuclear energy systems as high densities of surfaces and interfaces of the nanostructured materials may behave as effective sinks for defect recovery. However, nanostructured materials may not be intrinsically radiation tolerant, and the interplay among the factors of crystal size, temperature, chemical composition, surface energy and radiation conditions may eventually determine material radiation behaviors. Therefore, it is necessary to understand the radiation effects of nanostructured materials and the underlying physics for the design of advanced nanostructured nuclear materials. The main objective of this doctoral thesis is to study the behavior of nanostructured oxides and nitrides used as fuel matrix and waste forms under extreme radiation conditions with the focus of phase transformation, microstructural evolution and damage mechanisms. Radiation experiments were performed using energetic ion beam techniques to simulate radiation damage resulting from energetic neutrons, alpha-decay events and fission fragments, and various experimental approaches were employed to characterize materials’ microstructural evolution and phase stability upon intense radiation environments including transmission electron microscopy (TEM), X-ray diffraction (XRD) and Raman spectroscopy. Thermal annealing experiments indicated that nanostructured ZrO2 phase stability is strongly affected by the grain size. Radiation results on nanostructured ZrO2 indicated that thermodynamically unstable or metastable high temperature phases can be induced by energetic beam irradiation at room temperature. Various phase transformation among different polymorphs of monoclinic, tetragonal and amorphous states can be induced, and different mechanisms are responsible for structural transformations including oxygen vacancies accumulation upon displacive damage, radiation-assistant recrystallization and thermal spike by ionization radiation. The radiation response of nanosized pyrochlores indicated that the radiation tolerance of nanoceramics is highly dependent on the composition and size. Nanosized tantalate pyrochlores KxLnyTa2O 7-v (Ln = Gd, Y, Lu) with the average grain size around 10 - 15 nm are highly sensitive to radiation-induced amorphization. The pyrochlore A to B site ionic radius ratio rA/rB is crucial in determining the radiation tolerance of pyrochlores, and a minimum rA/rB of 1.605 exists for the occurring of radiation induced amorphization. The interplay among chemical compositions, structural deviation and grain size eventually determines the phase stability and structural transformation processes of tantalate pyrochlores under intense radiation environments. ZrN shows extremely high phase stability under both displacive ion irradiation and ionizing swift heavy ion irradiation. However, a contraction in lattice constant up to ~ 1.42 % can be induced in nanocrystalline ZrN irradiated with displacive ion beams. In contrast, the strongly ionizing swift heavy ions cannot induce any lattice contraction. Such lattice contractions may be due to a negative strain field in the ZrN nanograins related to N vacancies built up upon displacive radiation. Ion irradiations also lead to the formation of orthorhombic ZrSi phase at the interface between ZrN and Si substrate, resulting from atom mixing and precipitation upon ion irradiations. The fundamental knowledge provides critical data for assessing and quantifying nanostructured ceramics as fuel matrix and waste forms utilized in the extreme environments of advanced nuclear energy systems. Further possibilities are being pursued in manipulating microstructure at the nano-scale, controlling phase stability and tailoring the physical properties of materials for various important engineering applications.

Novel organic-inorganic hybrid mesoporous materials and nanocomposites

NASA Astrophysics Data System (ADS)

Feng, Qiuwei

Organic-inorganic hybrid mesoporous materials have been prepared successfully via the nonsurfactant templated sol-gel pathway using dibenzoyl-L-tartaric acid (DBTA) as the templating compound. Styrene and methyl methacrylate polymers have been incorporated into the mesoporous silica matrix on the molecular level. The synthetic conditions have been systematically studied and optimized. Titania based mesoporous materials have also been made using nonionic polyethylene glycol surfactant as the pore forming or structure-directing agent. In all of the above mesoporous materials, pore structures have been studied in detail by Transmission Electron Microscopy (TEM), X-ray diffraction and Brunauer-Emmett-Teller (BET) characterizations. The relationship between the template concentration and the pore parameters has been established. This nonsurfactant templated pathway possesses many advantages over the known surfactant approaches such as low cost, environment friendly and biocompatability. To overcome the drawback of nonsurfactant templated mesoporous materials that lack a well ordered pore structure, a flow induced synthesis has been attempted to orientate the sol-gel solution in order to obtain aligned pore structures. The versatility of this nonsurfactant templated pathway can even be extended to the making of organic-inorganic hybrid nanocomposite materials. On the basis of this approach, polymer-silica nanocomposite materials have been prepared using a polymerizable template. It is shown that the organic monomer such as hydroxyethyl methacrylate can act as a template in making nanoporous silica materials and then be further polymerized through a post synthesis technique. The properties and morphology of this new material have been studied by Differential Scanning Calorimetry (DSC), Scanning Electron Microscopy (SEM) and Infrared Absorption Spectroscopy (FTIR). Electroactive organic-inorganic hybrid materials have also been synthesized via the sol-gel process. A coupling agent was used to covalently bond the organic and inorganic species. The morphology and conductivity of the products have been investigated.

Materials and Methods for Corrosion Control of Reinforced and Prestressed Concrete Structures in New Construction

DOT National Transportation Integrated Search

2000-08-03

Salt-induced reinforcing steel corrosion in concrete bridges has undoubtedly become a considerable economic burden to many State and local transportation agencies. Since the iron in the steel has a natural tendency to revert eventually to its most st...

Modeling Diffusion Induced Stresses for Lithium-Ion Battery Materials

NASA Astrophysics Data System (ADS)

Chiu Huang, Cheng-Kai

Advancing lithium-ion battery technology is of paramount importance for satisfying the energy storage needs in the U.S., especially for the application in the electric vehicle industry. To provide a better acceleration for electric vehicles, a fast and repeatable discharging rate is required. However, particle fractures and capacity loss have been reported under high current rate (C-rate) during charging/discharging and after a period of cycling. During charging and discharging, lithium ions extract from and intercalate into electrode materials accompanied with the volume change and phase transition between Li-rich phase and Li-poor phase. It is suggested that the diffusion-induced-stress is one of the main reasons causing capacity loss due to the mechanical degradation of electrode particles. Therefore, there is a fundamental need to provide a mechanistic understanding by considering the structure-mechanics-property interactions in lithium-ion battery materials. Among many cathode materials, the olivine-based lithium-iron-phosphate (LiFePO4) with an orthorhombic crystal structure is one of the promising cathode materials for the application in electric vehicles. In this research we first use a multiphysic approach to investigate the stress evolution, especially on the phase boundary during lithiation in single LiFePO4 particles. A diffusion-controlled finite element model accompanied with the experimentally observed phase boundary propagation is developed via a finite element package, ANSYS, in which lithium ion concentration-dependent anisotropic material properties and volume misfits are incorporated. The stress components on the phase boundary are used to explain the Mode I, Mode II, and Mode III fracture propensities in LiFePO4 particles. The elastic strain energy evolution is also discussed to explain why a layer-by-layer lithium insertion mechanism (i.e. first-order phase transformation) is energetically preferred. Another importation issue is how current rate (C-rate) during charging/discharging affects diffusion induced stresses inside electrode materials. For the experimental part we first conduct charging/discharging under different C-rates to observe the voltage responses for commercial LiFePO4 batteries. Then Time-of-Flight Secondary Ion Mass Spectrometry technique is applied to measure the lithium ion intensities in different C-rate charged/discharged samples. These experimental results could be used to support that a more significant voltage fluctuation under high C-rates is due to different lithium insertion mechanisms, rather than the amount of lithium ions intercalated into electrode materials. Thus the investigation of C-rate-dependent stress evolution is required for the development of a more durable lithium ion battery. In this dissertation, we extend the single particle finite element model to investigate the C-rate-dependent diffusion induced stresses in a multi-particle system. Concentration dependent anisotropic material properties, C-rate-dependent volume misfits and concentration dependent Li-ion diffusivity are incorporated in the model. The concentration gradients, diffusion induced stresses, and strain energies under different C-rates are discussed in this study. Particle fractures have been observed in many experimental results, in this study we further discuss the effect of the crack surface orientation on the lithium concentration profile and stress level in cathode materials. The results of this dissertation provide a better understanding of diffusion induced stresses in electrode materials and contribute to our fundamental knowledge of interplay between lithium intercalations, stress evolutions, particle fractures and the capacity fade in lithium-ion batteries.

Strain-induced enhancement of thermoelectric performance of TiS2 monolayer based on first-principles phonon and electron band structures

NASA Astrophysics Data System (ADS)

Li, Guanpeng; Yao, Kailun; Gao, Guoying

2018-01-01

Using first-principle calculations combined with Boltzmann transport theory, we investigate the biaxial strain effect on the electronic and phonon thermal transport properties of a 1 T (CdI2-type) structural TiS2 monolayer, a recent experimental two-dimensional (2D) material. It is found that the electronic band structure can be effectively modulated and that the band gap experiences an indirect-direct-indirect transition with increasing tensile strain. The band convergence induced by the tensile strain increases the Seebeck coefficient and the power factor, while the lattice thermal conductivity is decreased under the tensile strain due to the decreasing group velocity and the increasing scattering chances between the acoustic phonon modes and the optical phonon modes, which together greatly increase the thermoelectric performance. The figure of merit can reach 0.95 (0.82) at an 8 percent tensile strain for the p-type (n-type) doping, which is much larger than that without strain. The present work suggests that the TiS2 monolayer is a good candidate for 2D thermoelectric materials, and that biaxial strain is a powerful tool with which to enhance thermoelectric performance.

Strain-induced enhancement of thermoelectric performance of TiS2 monolayer based on first-principles phonon and electron band structures.

PubMed

Li, Guanpeng; Yao, Kailun; Gao, Guoying

2018-01-05

Using first-principle calculations combined with Boltzmann transport theory, we investigate the biaxial strain effect on the electronic and phonon thermal transport properties of a 1 T (CdI 2 -type) structural TiS 2 monolayer, a recent experimental two-dimensional (2D) material. It is found that the electronic band structure can be effectively modulated and that the band gap experiences an indirect-direct-indirect transition with increasing tensile strain. The band convergence induced by the tensile strain increases the Seebeck coefficient and the power factor, while the lattice thermal conductivity is decreased under the tensile strain due to the decreasing group velocity and the increasing scattering chances between the acoustic phonon modes and the optical phonon modes, which together greatly increase the thermoelectric performance. The figure of merit can reach 0.95 (0.82) at an 8 percent tensile strain for the p-type (n-type) doping, which is much larger than that without strain. The present work suggests that the TiS 2 monolayer is a good candidate for 2D thermoelectric materials, and that biaxial strain is a powerful tool with which to enhance thermoelectric performance.

Time domain optical coherence tomography investigation of bone matrix interface in rat femurs

NASA Astrophysics Data System (ADS)

Rusu, Laura-Cristina; Negruá¹±iu, Meda-Lavinia; Sinescu, Cosmin; Hoinoiu, Bogdan; Topala, Florin-Ionel; Duma, Virgil-Florin; Rominu, Mihai; Podoleanu, Adrian G.

2013-08-01

The materials used to fabricate scaffolds for tissue engineering are derived from synthetic polymers, mainly from the polyester family, or from natural materials (e.g., collagen and chitosan). The mechanical properties and the structural properties of these materials can be tailored by adjusting the molecular weight, the crystalline state, and the ratio of monomers in the copolymers. Quality control and adjustment of the scaffold manufacturing process are essential to achieve high standard scaffolds. Most scaffolds are made from highly crystalline polymers, which inevitably result in their opaque appearance. Their 3-D opaque structure prevents the observation of internal uneven surface structures of the scaffolds under normal optical instruments, such as the traditional light microscope. The inability to easily monitor the inner structure of scaffolds as well as the interface with the old bone poses a major challenge for tissue engineering: it impedes the precise control and adjustment of the parameters that affect the cell growth in response to various mimicked culture conditions. The aim of this paper is to investigate the interface between the femur rat bone and the new bone that is obtained using a method of tissue engineering that is based on different artificial matrixes inserted in previously artificially induced defects. For this study, 15 rats were used in conformity with ethical procedures. In all the femurs a round defect was induced by drilling with a 1 mm spherical Co-Cr surgical drill. The matrixes used were Bioss and 4bone. These materials were inserted into the induced defects. The femurs were investigated at 1 week, 1 month, 2 month and three month after the surgical procedures. The interfaces were examined using Time Domain (TD) Optical Coherence Tomography (OCT) combined with Confocal Microscopy (CM). The optical configuration uses two single mode directional couplers with a superluminiscent diode as the source centered at 1300 nm. The scanning procedure is similar to that used in any CM, where the fast scanning is en-face (line rate) and the scanning in depth is much slower (at the frame rate). The results showed open interfaces due to the insufficient healing process, as well as closed interfaces due to a new bone formation inside the defect. The conclusion of this study is that TD-OCT can act as a valuable tool in the investigation of the interface between the old bone and the one that has been newly induced due to the osteoinductive process.

Optical properties of Si+ implanted PMMA

NASA Astrophysics Data System (ADS)

Balabanov, S.; Tsvetkova, T.; Borisova, E.; Avramov, L.; Bischoff, L.; Zuk, J.

2010-04-01

In the present work, low energy ion beam irradiation was used for surface modification of polymethyl-methacrylate (PMMA) using silicon (Si+) as the ion species. After high doses ion implantation of Si+ in the polymer material, a characterization of the optical properties was performed using optical transmission measurements in the visible and near infra-red (IR) wavelength range. The optical absorption increase observed with the ion dose was attributed to ion beam induced structural changes in the modified material.

New Design Concept for a Lifting Platform Made of Composite Material

NASA Astrophysics Data System (ADS)

Solazzi, L.; Scalmana, R.

2013-08-01

Elevating work platforms are hoists equipment that are increasingly used in many applications, like in the construction industry and in the maintenance field. The maintenance of the hub of the wind turbines, for example, can be done through the use of a working platform; these structures have to reach great heights and obviously they have to satisfy the constraints induced by the highway standards, like the maximum axle load and the maximum overall dimensions. To satisfy these requests the material of the structures changed from the classic structural steel (S235 JR, S275 JR or S355JR) to high strength steel (S700 to S1100 or more), characterized by a significantly higher specific resistance. The idea of this paper is to use a composite material for the construction of the arms of an elevating platform in order to reduce the global weight of the machine. The analyses on the new kind of platform show the technical possibility to change the material of the arms with composite materials and this produces a significant reduction of the weight of the machine components, about 50 %. Being a feasibility study, still remain open some problems such as the mechanical behavior of the used composite materials (fatigue, environment effects, etc.).

Transparent conducting oxide induced by liquid electrolyte gating

NASA Astrophysics Data System (ADS)

ViolBarbosa, Carlos; Karel, Julie; Kiss, Janos; Gordan, Ovidiu-dorin; Altendorf, Simone G.; Utsumi, Yuki; Samant, Mahesh G.; Wu, Yu-Han; Tsuei, Ku-Ding; Felser, Claudia; Parkin, Stuart S. P.

2016-10-01

Optically transparent conducting materials are essential in modern technology. These materials are used as electrodes in displays, photovoltaic cells, and touchscreens; they are also used in energy-conserving windows to reflect the infrared spectrum. The most ubiquitous transparent conducting material is tin-doped indium oxide (ITO), a wide-gap oxide whose conductivity is ascribed to n-type chemical doping. Recently, it has been shown that ionic liquid gating can induce a reversible, nonvolatile metallic phase in initially insulating films of WO3. Here, we use hard X-ray photoelectron spectroscopy and spectroscopic ellipsometry to show that the metallic phase produced by the electrolyte gating does not result from a significant change in the bandgap but rather originates from new in-gap states. These states produce strong absorption below ˜1 eV, outside the visible spectrum, consistent with the formation of a narrow electronic conduction band. Thus WO3 is metallic but remains colorless, unlike other methods to realize tunable electrical conductivity in this material. Core-level photoemission spectra show that the gating reversibly modifies the atomic coordination of W and O atoms without a substantial change of the stoichiometry; we propose a simple model relating these structural changes to the modifications in the electronic structure. Thus we show that ionic liquid gating can tune the conductivity over orders of magnitude while maintaining transparency in the visible range, suggesting the use of ionic liquid gating for many applications.

Strategies for gallium removal after focused ion beam patterning of ferroelectric oxide nanostructures

NASA Astrophysics Data System (ADS)

Schilling, A.; Adams, T.; Bowman, R. M.; Gregg, J. M.

2007-01-01

As part of a study into the properties of ferroelectric single crystals at nanoscale dimensions, the effects that focused ion beam (FIB) processing can have, in terms of structural damage and ion implantation, on perovskite oxide materials has been examined, and a post-processing procedure developed to remove such effects. Single crystal material of the perovskite ferroelectric barium titanate (BaTiO3) has been patterned into thin film lamellae structures using a FIB microscope. Previous work had shown that FIB patterning induced gallium impregnation and associated creation of amorphous layers in a surface region of the single crystal material some 20 nm thick, but that both recrystallization and expulsion of gallium could be achieved through thermal annealing in air. Here we confirm this observation, but find that thermally induced gallium expulsion is associated with the formation of gallium-rich platelets on the surface of the annealed material. These platelets are thought to be gallium oxide. Etching using nitric and hydrochloric acids had no effect on the gallium-rich platelets. Effective platelet removal involved thermal annealing at 700 °C for 1 h in a vacuum followed by 1 h in oxygen, and then a post-annealing low-power plasma clean in an Ar/O atmosphere. Similar processing is likely to be necessary for the full recovery of post FIB-milled nanostructures in oxide ceramic systems in general.

Self-actuating and self-diagnosing plastically deforming piezo-composite flapping wing MAV

NASA Astrophysics Data System (ADS)

Harish, Ajay B.; Harursampath, Dineshkumar; Mahapatra, D. Roy

2011-04-01

In this work, we propose a constitutive model to describe the behavior of Piezoelectric Fiber Reinforced Composite (PFRC) material consisting of elasto-plastic matrix reinforced by strong elastic piezoelectric fibers. Computational efficiency is achieved using analytical solutions for elastic stifness matrix derived from Variational Asymptotic Methods (VAM). This is extended to provide Structural Health Monitoring (SHM) based on plasticity induced degradation of flapping frequency of PFRC. Overall this work provides an effective mathematical tool that can be used for structural self-health monitoring of plasticity induced flapping degradation of PFRC flapping wing MAVs. The developed tool can be re-calibrated to also provide SHM for other forms of failures like fatigue, matrix cracking etc.

Over 7% magnetic field-induced strain in a Ni-Mn-Ga five-layered martensite

NASA Astrophysics Data System (ADS)

Pagounis, E.; Chulist, R.; Szczerba, M. J.; Laufenberg, M.

2014-08-01

A Ni-Mn-Ga single crystal with a modulated five-layered martensite structure is reported, demonstrating giant magnetic field induced strain (MFIS) of 7.1% at room temperature and of 6% at temperatures close to the austenite transformation (TA = 71 °C). The room temperature MFIS clearly exceeds the best results of around 6% measured earlier in 10M martensites. The larger MFIS is connected to the huge (>1%) change in the lattice distortion of the 10M structure, obtained within a narrow temperature interval of 47 K, which has been previously observed only during intermartensitic transformation. The present material shall effectively reduce the size of magnetic shape memory actuators.

Femtosecond laser-induced ripple patterns for homogenous nanostructuring of pyrolytic carbon heart valve implant

NASA Astrophysics Data System (ADS)

Stępak, Bogusz; Dzienny, Paulina; Franke, Volker; Kunicki, Piotr; Gotszalk, Teodor; Antończak, Arkadiusz

2018-04-01

Laser-induced periodic surface structures (LIPSS) are highly periodic wavy surface features which are frequently smaller than incident light wavelength that bring possibility of nanostructuring of many materials. In this paper the possibility of using them to homogeneously structure the surface of artificial heart valve made of PyC was examined. By changing laser irradiation parameters such like energy density and pulse separation the most suitable conditions were established for 1030 nm wavelength. A wide spectrum of periodicities and geometries was obtained. Interesting side effects like creating a thin shell-like layer were observed. Modified surfaces were examined using EDX and Raman spectroscopy to determine change in elemental composition of surface.

Mimicking lizard-like surface structures upon ultrashort laser pulse irradiation of inorganic materials

NASA Astrophysics Data System (ADS)

Hermens, U.; Kirner, S. V.; Emonts, C.; Comanns, P.; Skoulas, E.; Mimidis, A.; Mescheder, H.; Winands, K.; Krüger, J.; Stratakis, E.; Bonse, J.

2017-10-01

Inorganic materials, such as steel, were functionalized by ultrashort laser pulse irradiation (fs- to ps-range) to modify the surface's wetting behavior. The laser processing was performed by scanning the laser beam across the surface of initially polished flat sample material. A systematic experimental study of the laser processing parameters (peak fluence, scan velocity, line overlap) allowed the identification of different regimes associated with characteristic surface morphologies (laser-induced periodic surface structures, grooves, spikes, etc.). Analyses of the surface using optical as well as scanning electron microscopy revealed morphologies providing the optimum similarity to the natural skin of lizards. For mimicking skin structures of moisture-harvesting lizards towards an optimization of the surface wetting behavior, additionally a two-step laser processing strategy was established for realizing hierarchical microstructures. In this approach, micrometer-scaled capillaries (step 1) were superimposed by a laser-generated regular array of small dimples (step 2). Optical focus variation imaging measurements finally disclosed the three dimensional topography of the laser processed surfaces derived from lizard skin structures. The functionality of these surfaces was analyzed in view of wetting properties.

Photothermal and infrared thermography characterizations of thermal diffusion in hydroxyapatite materials

NASA Astrophysics Data System (ADS)

Bante-Guerra, J.; Conde-Contreras, M.; Trujillo, S.; Martinez-Torres, P.; Cruz-Jimenez, B.; Quintana, P.; Alvarado-Gil, J. J.

2009-02-01

Non destructive analysis of hydroxyapatite materials is an active research area mainly in the study of dental pieces and bones due to the importance these pieces have in medicine, archeology, dentistry, forensics and anthropology. Infrared thermography and photothermal techniques constitute highly valuable tools in those cases. In this work the quantitative analysis of thermal diffusion in bones is presented. The results obtained using thermographic images are compared with the ones obtained from the photothermal radiometry. Special emphasis is done in the analysis of samples with previous thermal damage. Our results show that the treatments induce changes in the physical properties of the samples. These results could be useful in the identification of the agents that induced modifications of unknown origin in hydroxyapatite structures.

Role of zero-point effects in stabilizing the ground state structure of bulk Fe2P

NASA Astrophysics Data System (ADS)

Bhat, Soumya S.; Gupta, Kapil; Bhattacharjee, Satadeep; Lee, Seung-Cheol

2018-05-01

Structural stability of Fe2P is investigated in detail using first-principles calculations based on density functional theory. While the orthorhombic C23 phase is found to be energetically more stable, the experiments suggest it to be hexagonal C22 phase. In the present study, we show that in order to obtain the correct ground state structure of Fe2P from the first-principles based methods it is utmost necessary to consider the zero-point effects such as zero-point vibrations and spin fluctuations. This study demonstrates an exceptional case where a bulk material is stabilized by quantum effects, which are usually important in low-dimensional materials. Our results also indicate the possibility of magnetic field induced structural quantum phase transition in Fe2P, which should form the basis for further theoretical and experimental efforts.

Shrink-induced superhydrophobic and antibacterial surfaces in consumer plastics.

PubMed

Freschauf, Lauren R; McLane, Jolie; Sharma, Himanshu; Khine, Michelle

2012-01-01

Structurally modified superhydrophobic surfaces have become particularly desirable as stable antibacterial surfaces. Because their self-cleaning and water resistant properties prohibit bacteria growth, structurally modified superhydrophobic surfaces obviate bacterial resistance common with chemical agents, and therefore a robust and stable means to prevent bacteria growth is possible. In this study, we present a rapid fabrication method for creating such superhydrophobic surfaces in consumer hard plastic materials with resulting antibacterial effects. To replace complex fabrication materials and techniques, the initial mold is made with commodity shrink-wrap film and is compatible with large plastic roll-to-roll manufacturing and scale-up techniques. This method involves a purely structural modification free of chemical additives leading to its inherent consistency over time and successive recasting from the same molds. Finally, antibacterial properties are demonstrated in polystyrene (PS), polycarbonate (PC), and polyethylene (PE) by demonstrating the prevention of gram-negative Escherichia coli (E. coli) bacteria growth on our structured plastic surfaces.

Fabrication of porous hierarchical polymer/ceramic composites by electron irradiation of organic/inorganic polymers: route to a highly durable, large-area superhydrophobic coating.

PubMed

Lee, Eun Je; Kim, Jae Joon; Cho, Sung Oh

2010-03-02

Polymer/ceramic composite films with micro- and nanocombined hierarchical structures are fabricated by electron irradiation of poly(methyl methacrylate) (PMMA) microspheres/silicone grease. Electron irradiation induces volume contraction of PMMA microspheres and simultaneously transforms silicone grease into a ceramic material of silicon oxycarbide with many nanobumps. As a result, highly porous structures that consist of micrometer-sized pores and microparticles decorated with nanobumps are created. The fabricated films with the porous hierarchical structure exhibit good superhydrophobicity with excellent self-cleaning and antiadhesion properties after surface treatment with fluorosilane. In addition, the porous hierarchical structures are covered with silicon oxycarbide, and thus the superhydrophobic coatings have high hardness and strong adhesion to the substrate. The presented technique provides a straightforward route to producing large-area, mechanically robust superhydrophobic films on various substrate materials.

Multiscale Homogenization Theory: An Analysis Tool for Revealing Mechanical Design Principles in Bone and Bone Replacement Materials

NASA Astrophysics Data System (ADS)

Hellmich, Christian; Fritsch, Andreas; Dormieux, Luc

Biomimetics deals with the application of nature-made "design solutions" to the realm of engineering. In the quest to understand mechanical implications of structural hierarchies found in biological materials, multiscale mechanics may hold the key to understand "building plans" inherent to entire material classes, here bone and bone replacement materials. Analyzing a multitude of biophysical hierarchical and biomechanical experiments through homogenization theories for upscaling stiffness and strength properties reveals the following design principles: The elementary component "collagen" induces, right at the nanolevel, the mechanical anisotropy of bone materials, which is amplified by fibrillar collagen-based structures at the 100-nm scale, and by pores in the micrometer-to-millimeter regime. Hydroxyapatite minerals are poorly organized, and provide stiffness and strength in a quasi-brittle manner. Water layers between hydroxyapatite crystals govern the inelastic behavior of the nanocomposite, unless the "collagen reinforcement" breaks. Bone replacement materials should mimic these "microstructural mechanics" features as closely as possible if an imitation of the natural form of bone is desired (Gebeshuber et al., Adv Mater Res 74:265-268, 2009).

Upconversion induced enhancement of dye sensitized solar cells based on core-shell structured β-NaYF4:Er3+, Yb3+@SiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Zhou, Ziyao; Wang, Jiahong; Nan, Fan; Bu, Chenghao; Yu, Zhenhua; Liu, Wei; Guo, Shishang; Hu, Hao; Zhao, Xing-Zhong

2014-01-01

Upconversion materials have been employed as energy relay materials in dye sensitized solar cells (DSCs) to broaden the range of light absorption. However, the origin of the enhancements can be induced by both upconversion and size-dependent light scattering effects. To clarify the role of the upconversion material in the photoelectrode of DSCs, an upconversion induced device was realized here, which has the size-dependent light scattering effect eliminated via the application of NaYF4:Er3+, Yb3+@SiO2 upconversion nanoparticles (β-NYEY@SiO2 UCNPs). An enhancement of 6% in efficiency was observed for the device. This demonstration provided an insight into the possible further employment of upconversion in DSCs.Upconversion materials have been employed as energy relay materials in dye sensitized solar cells (DSCs) to broaden the range of light absorption. However, the origin of the enhancements can be induced by both upconversion and size-dependent light scattering effects. To clarify the role of the upconversion material in the photoelectrode of DSCs, an upconversion induced device was realized here, which has the size-dependent light scattering effect eliminated via the application of NaYF4:Er3+, Yb3+@SiO2 upconversion nanoparticles (β-NYEY@SiO2 UCNPs). An enhancement of 6% in efficiency was observed for the device. This demonstration provided an insight into the possible further employment of upconversion in DSCs. Electronic supplementary information (ESI) available: Details of preparations and characterizations; the TEM images, EDX measurements, XRD measurements and upconversion emission spectrum of bared β-NYEY nanocrystals; SEM and AFM images of the photoelectrode with different concentrations of β-NYEY nanocrystals; J-V characteristics, EIS measurements and fitted EIS parameters of the DSCs based on five different photoelectrodes. See DOI: 10.1039/c3nr04315k

Visible Light Induced Organic Transformations Using Metal-Organic-Frameworks (MOFs).

PubMed

Deng, Xiaoyu; Li, Zhaohui; García, Hermenegildo

2017-08-22

With the aim of developing renewable energy based processes, researchers are paying increasing interest to light induced organic transformations. Metal-organic frameworks (MOFs), a class of micro-/mesoporous hybrid materials, are recently emerging as a new type of photoactive materials for organic syntheses due to their unique structural characteristics. In this Review, we summarized the recent applications of MOFs as photocatalysts for light induced organic transformations, including (1) oxidation of alcohols, amines, alkene, alkanes and sulfides; (2) hydroxylation of aromatic compounds like benzene; (3) activation of the C-H bonds to construct new C-C or C-X bonds; (4) atom-transfer radical polymerization (ATRP). This Review starts with general background information of using MOFs in photocatalysis, followed by a description of light induced organic transformations promoted by photoactive inorganic nodes and photocatalytic active ligands in MOFs, respectively. Thereafter, the use of MOFs as multifunctional catalysts for light induced organic transformations via an efficient merge of the metal/ligand/guest based catalysis where the photocatalytic activity of MOFs plays a key role are discussed. Finally, the limitations, challenges and the future perspective of the application of MOFs for light induced organic transformations were addressed. The objective of this Review is to serve as a starting point for other researchers to get into this largely unexplored field. It is also our goal to stimulate intensive research in this field for rational designing of MOF materials to overcome their current limitations in photocatalysis, which can lead to more creative visible-light-induced organic transformations. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photothermal heating in metal-embedded microtools for material transport

NASA Astrophysics Data System (ADS)

Villangca, Mark; Palima, Darwin; Bañas, Andrew; Glückstad, Jesper

2016-03-01

Material transport is an important mechanism in microfluidics and drug delivery. The methods and solutions found in literature involve passively diffusing structures, microneedles and chemically fueled structures. In this work, we make use of optically actuated microtools with embedded metal layer as heating element for controlled loading and release. The new microtools take advantage of the photothermal-induced convection current to load and unload cargo. We also discuss some challenges encountered in realizing a self-contained polymerized microtool. Microfluidic mixing, fluid flow control and convection currents have been demonstrated both experimentally and numerically for static metal thin films or passively floating nanoparticles. Here we show an integration of aforementioned functionalities in an optically fabricated and actuated microtool. As proof of concept, we demonstrate loading and unloading of beads. This can be extended to controlled transport and release of genetic material, bio-molecules, fluorescent dyes. We envisioned these microtools to be an important addition to the portfolio of structure-mediated contemporary biophotonics.

Low-Frequency Acoustic Noise Mitigation Characteristics of Metamaterials-Inspired Vibro-Impact Structures

NASA Astrophysics Data System (ADS)

Rekhy, Anuj

Acoustic absorbers like foams, fiberglass or liners have been used commonly in structures for infrastructural, industrial, automotive and aerospace applications to mitigate noise. However, these conventional materials have limited effectiveness to mitigate low-frequency (LF) acoustic waves with frequency less than 400 Hz owing to the need for impractically large mass or volume. LF acoustic waves contribute significantly towards environmental noise pollution as well as unwanted structural responses. Therefore, there is a need to develop lightweight, compact, structurally-integrated solutions to mitigate LF noise in several applications. Inspired by metamaterials, which are man-made structural materials that derive their unique dynamic behavior not just from material constituents but more so from engineered configurations, tuned mass-loaded membranes as vibro-impact attachments on a baseline structure are investigated to determine their performance as a LF acoustic barrier. The hypothesis is that the LF incident waves are up-converted via impact to higher modes in the baseline structure which are far more evanescent and may then be effectively mitigated using conventional means. Such Metamaterials-Inspired Vibro-Impact Structures (MIVIS) could be tuned to match the dominant frequency content of LF acoustic sources in specific applications. Prototype MIVIS unit cells were designed and tested to study the energy transfer mechanism via impact-induced frequency up-conversion, and the consequent sound transmission loss. Structural acoustic simulations were done to predict responses using models based on normal incidence transmission loss tests. Experimental proof-of-concept was achieved and further correlations to simulations were utilized to optimize the energy up-conversion mechanism using parametric studies. Up to 36 dB of sound transmission loss increase is obtained at the anti-resonance frequency (326 Hz) within a tunable LF bandwidth of about 200 Hz while impact-induced up-conversion could enable further broadband transmission loss via subsequent dissipation in conventional absorbers. Moreover, this approach while minimizing parasitic mass addition retains or could conceivably augment primary functionalities of the baseline structure. Successful transition to applications could enable new mission capabilities for aerospace and military vehicles and help create quieter built environments.

Advances in Structural Integrity Analysis Methods for Aging Metallic Airframe Structures with Local Damage

NASA Technical Reports Server (NTRS)

Starnes, James H., Jr.; Newman, James C., Jr.; Harris, Charles E.; Piascik, Robert S.; Young, Richard D.; Rose, Cheryl A.

2003-01-01

Analysis methodologies for predicting fatigue-crack growth from rivet holes in panels subjected to cyclic loads and for predicting the residual strength of aluminum fuselage structures with cracks and subjected to combined internal pressure and mechanical loads are described. The fatigue-crack growth analysis methodology is based on small-crack theory and a plasticity induced crack-closure model, and the effect of a corrosive environment on crack-growth rate is included. The residual strength analysis methodology is based on the critical crack-tip-opening-angle fracture criterion that characterizes the fracture behavior of a material of interest, and a geometric and material nonlinear finite element shell analysis code that performs the structural analysis of the fuselage structure of interest. The methodologies have been verified experimentally for structures ranging from laboratory coupons to full-scale structural components. Analytical and experimental results based on these methodologies are described and compared for laboratory coupons and flat panels, small-scale pressurized shells, and full-scale curved stiffened panels. The residual strength analysis methodology is sufficiently general to include the effects of multiple-site damage on structural behavior.

Method for detecting damage in carbon-fibre reinforced plastic-steel structures based on eddy current pulsed thermography

NASA Astrophysics Data System (ADS)

Li, Xuan; Liu, Zhiping; Jiang, Xiaoli; Lodewijks, Gabrol

2018-01-01

Eddy current pulsed thermography (ECPT) is well established for non-destructive testing of electrical conductive materials, featuring the advantages of contactless, intuitive detecting and efficient heating. The concept of divergence characterization of the damage rate of carbon fibre-reinforced plastic (CFRP)-steel structures can be extended to ECPT thermal pattern characterization. It was found in this study that the use of ECPT technology on CFRP-steel structures generated a sizeable amount of valuable information for comprehensive material diagnostics. The relationship between divergence and transient thermal patterns can be identified and analysed by deploying mathematical models to analyse the information about fibre texture-like orientations, gaps and undulations in these multi-layered materials. The developed algorithm enabled the removal of information about fibre texture and the extraction of damage features. The model of the CFRP-glue-steel structures with damage was established using COMSOL Multiphysics® software, and quantitative non-destructive damage evaluation from the ECPT image areas was derived. The results of this proposed method illustrate that damaged areas are highly affected by available information about fibre texture. This proposed work can be applied for detection of impact induced damage and quantitative evaluation of CFRP structures.

Beyond native block copolymer morphologies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doerk, Gregory S.; Yager, Kevin G.

Block copolymers self-assemble into a range of canonical morphologies. Here, we review a broad range of techniques for inducing these materials to form structures beyond the ‘native’ morphologies seen in the bulk equilibrium phase diagram. Methods that exploit intrinsic encoding (molecular design) and external enforcement (directed assembly) are compared.

Beyond native block copolymer morphologies

DOE PAGES

Doerk, Gregory S.; Yager, Kevin G.

2017-09-20

Block copolymers self-assemble into a range of canonical morphologies. Here, we review a broad range of techniques for inducing these materials to form structures beyond the ‘native’ morphologies seen in the bulk equilibrium phase diagram. Methods that exploit intrinsic encoding (molecular design) and external enforcement (directed assembly) are compared.

Automating the application of smart materials for protein crystallization.

PubMed

Khurshid, Sahir; Govada, Lata; El-Sharif, Hazim F; Reddy, Subrayal M; Chayen, Naomi E

2015-03-01

The fabrication and validation of the first semi-liquid nonprotein nucleating agent to be administered automatically to crystallization trials is reported. This research builds upon prior demonstration of the suitability of molecularly imprinted polymers (MIPs; known as `smart materials') for inducing protein crystal growth. Modified MIPs of altered texture suitable for high-throughput trials are demonstrated to improve crystal quality and to increase the probability of success when screening for suitable crystallization conditions. The application of these materials is simple, time-efficient and will provide a potent tool for structural biologists embarking on crystallization trials.

PREFACE: 36th Risø International Symposium on Materials Science

NASA Astrophysics Data System (ADS)

Fæster, S.; Hansen, N.; Hong, C.; Huang, X.; Jensen, D. Juul; Mishin, O. V.; Sun, J.; Yu, T.; Zhang, Y. B.

2015-08-01

The 36th Risø Symposium focuses on the effects of deformation-induced structural variations on annealing mechanisms. Although it is widely recognized that the processes occurring during annealing of deformed metals are determined by the local environment in which they occur, much of the current understanding, analysis and modelling is based on larger scale considerations. Recent detailed investigations of deformation microstructures have led to a paradigm shift in the way these structures are characterized and analyzed. It is now clear that deformation microstructures are hierarchical, with dislocations and deformation-induced boundaries subdividing the original grains. This subdivision means that there are variations in the crystallographic orientations and in the distribution of stored energy on the scale of the subdivision, which typically is on the micrometer, sub-micrometer or nanometer scale. Structural variations in this subdivision may also be present from grain to grain in polycrystalline materials, thereby introducing variations on the grain scale. Finally, processing may also introduce structural variations on even larger scales. There are thus structural variations at many length scales, all of which play an essential role in subsequent annealing processes and in property optimization. Recent advances in incorporating these structural variations into the understanding of annealing mechanisms and of how they affect the mechanical and physical properties of annealed metals and alloys are addressed in these Proceedings. The Proceedings contain 15 key-note and 46 contributed papers. The 36th Risø International Symposium on Materials Science is organized by the Section for Materials Science and Advanced Characterization, Department of Wind Energy, Technical University of Denmark (DTU). We would like to thank all those at DTU who assisted in the preparations for the Symposium. We appreciate additionally the help from the international advisory committee consisting of: R.D. Doherty, USA; F.J. Humphreys, UK; E Pereloma; T. Sakai, Japan; M. Sugiyama, Japan; Q. Liu, China; R.A. Vandermeer, USA; Y.T. Zhu, USA. We gratefully acknowledge financial support from the following foundations: Civilingeniør Frederik Leth Christiansens Almennyttige Fond, Fabrikant Mads Clausens Fond, Knud Højgaards Fond, Kraks Fond and Otto Mønsteds Fond.

Double-Zero-Index Structural Phononic Waveguides

NASA Astrophysics Data System (ADS)

Zhu, Hongfei; Semperlotti, Fabio

2017-12-01

We report on the theoretical and experimental realization of a double-zero-index elastic waveguide and the corresponding acoustic cloaking and supercoupling effects. The proposed waveguide uses geometric tapers in order to induce Dirac-like cones at k → =0 due to accidental degeneracy. The nature of the degeneracy is explored by a k .p perturbation method adapted to thin structural waveguides. The results confirm the linear nature of the dispersion around the degeneracy and the possibility to map the material to effective-medium properties. Effective parameters numerically extracted using boundary medium theory confirm that the phononic waveguide maps into a double-zero-index material. Numerical and experimental results confirm the expected cloaking and supercoupling effects.

Deformation of a bismuth ferrite nanocrystal imaged by coherent X-ray diffraction

NASA Astrophysics Data System (ADS)

Newton, Marcus C.; Pietraszewski, Adam; Kenny, Anthony; Wagner, Ulrich; Rau, Christoph

2017-06-01

Perovskite materials that contain transition metal-oxides often exhibit multifunctional properties with considerable utility in a device setting. BiFeO3 is a multiferroic perovskite material that exhibits room temperature anti-ferromagnetic and ferroelectric ordering. Optical excitation of BiFeO3 crystals results in an elastic structural deformation of the lattice with a fast response on the pico-second time scale. Here we report on dynamic optical excitation coupled with Bragg coherent X-ray diffraction measurements to investigate the structural properties of BiFeO3 nanoscale crystals. A continuous distortion of the diffraction speckle pattern was observed with increasing illumination. This was attributed to strain resulting from photo-induced lattice deformation.

Room temperature ferromagnetism in BiFe1-xMnxO3 thin film induced by spin-structure manipulation

NASA Astrophysics Data System (ADS)

Shigematsu, Kei; Asakura, Takeshi; Yamamoto, Hajime; Shimizu, Keisuke; Katsumata, Marin; Shimizu, Haruki; Sakai, Yuki; Hojo, Hajime; Mibu, Ko; Azuma, Masaki

2018-05-01

The evolution of crystal structure, spin structure, and macroscopic magnetization of manganese-substituted BiFeO3 (BiFe1-xMnxO3), a candidate for multiferroic materials, were investigated on bulk and epitaxial thin-film. Mn substitution for Fe induced collinear antiferromagnetic spin structure around room temperature by destabilizing the cycloidal spin modulation which prohibited the appearance of net magnetization generated by Dzyaloshinskii-Moriya interaction. For the bulk samples, however, no significant signal of ferromagnetism was observed because the direction of the ordered spins was close to parallel to the electric polarization so that spin-canting did not occur. On the contrary, BiFe1-xMnxO3 thin film on SrTiO3 (001) had a collinear spin structure with the spin direction perpendicular to the electric polarization at room temperature, where the appearance of spontaneous magnetization was expected. Indeed, ferromagnetic hysteresis behavior was observed for BiFe0.9Mn0.1O3 thin film.

Electronic and crystal structure changes induced by in-plane oxygen vacancies in multiferroic YMnO 3

DOE PAGES

Cheng, Shaobo; Meng, Qingping; Li, Mengli; ...

2016-02-08

Here, the widely spread oxygen vacancies (V O) in multiferroic materials can strongly affect their physical properties. However, their exact influence has rarely been identified in hexagonal manganites. Here, with the combined use of transmission electron microscopy (TEM) and first-principles calculations, we have systematically studied the electronic and crystal structure modifications induced by V O located at the same Mn atomic plane (in-plane V O). Our TEM experiments reveal that the easily formed in-plane V O not only influence the electronic structure of YMnO 3 but alter the in-plane Wyckoff positions of Mn ions, which may subsequently affect the intraplanemore » and interplane exchange interaction of Mn ions. The ferroelectricity is also impaired due to the introduction of V O. Further calculations confirm these electronic and structural changes and modifications. Our results indicate that the electronic and crystal structure of YMnO 3 can be manipulated by the creation of V O.« less

Large-eddy simulation, fuel rod vibration and grid-to-rod fretting in pressurized water reactors

DOE PAGES

Christon, Mark A.; Lu, Roger; Bakosi, Jozsef; ...

2016-10-01

Grid-to-rod fretting (GTRF) in pressurized water reactors is a flow-induced vibration phenomenon that results in wear and fretting of the cladding material on fuel rods. GTRF is responsible for over 70% of the fuel failures in pressurized water reactors in the United States. Predicting the GTRF wear and concomitant interval between failures is important because of the large costs associated with reactor shutdown and replacement of fuel rod assemblies. The GTRF-induced wear process involves turbulent flow, mechanical vibration, tribology, and time-varying irradiated material properties in complex fuel assembly geometries. This paper presents a new approach for predicting GTRF induced fuelmore » rod wear that uses high-resolution implicit large-eddy simulation to drive nonlinear transient dynamics computations. The GTRF fluid–structure problem is separated into the simulation of the turbulent flow field in the complex-geometry fuel-rod bundles using implicit large-eddy simulation, the calculation of statistics of the resulting fluctuating structural forces, and the nonlinear transient dynamics analysis of the fuel rod. Ultimately, the methods developed here, can be used, in conjunction with operational management, to improve reactor core designs in which fuel rod failures are minimized or potentially eliminated. Furthermore, robustness of the behavior of both the structural forces computed from the turbulent flow simulations and the results from the transient dynamics analyses highlight the progress made towards achieving a predictive simulation capability for the GTRF problem.« less

Large-eddy simulation, fuel rod vibration and grid-to-rod fretting in pressurized water reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christon, Mark A.; Lu, Roger; Bakosi, Jozsef

Grid-to-rod fretting (GTRF) in pressurized water reactors is a flow-induced vibration phenomenon that results in wear and fretting of the cladding material on fuel rods. GTRF is responsible for over 70% of the fuel failures in pressurized water reactors in the United States. Predicting the GTRF wear and concomitant interval between failures is important because of the large costs associated with reactor shutdown and replacement of fuel rod assemblies. The GTRF-induced wear process involves turbulent flow, mechanical vibration, tribology, and time-varying irradiated material properties in complex fuel assembly geometries. This paper presents a new approach for predicting GTRF induced fuelmore » rod wear that uses high-resolution implicit large-eddy simulation to drive nonlinear transient dynamics computations. The GTRF fluid–structure problem is separated into the simulation of the turbulent flow field in the complex-geometry fuel-rod bundles using implicit large-eddy simulation, the calculation of statistics of the resulting fluctuating structural forces, and the nonlinear transient dynamics analysis of the fuel rod. Ultimately, the methods developed here, can be used, in conjunction with operational management, to improve reactor core designs in which fuel rod failures are minimized or potentially eliminated. Furthermore, robustness of the behavior of both the structural forces computed from the turbulent flow simulations and the results from the transient dynamics analyses highlight the progress made towards achieving a predictive simulation capability for the GTRF problem.« less

Method and apparatus for testing surface characteristics of a material

NASA Technical Reports Server (NTRS)

Johnson, David L. (Inventor); Kersker, Karl D. (Inventor); Stratton, Troy C. (Inventor); Richardson, David E. (Inventor)

2006-01-01

A method, apparatus and system for testing characteristics of a material sample is provided. The system includes an apparatus configured to house the material test sample while defining a sealed volume against a surface of the material test sample. A source of pressurized fluid is in communication with, and configured to pressurize, the sealed volume. A load applying apparatus is configured to apply a defined load to the material sample while the sealed volume is monitored for leakage of the pressurized fluid. Thus, the inducement of surface defects such as microcracking and crazing may be detected and their effects analyzed for a given material. The material test samples may include laminar structures formed of, for example, carbon cloth phenolic, glass cloth phenolic, silica cloth phenolic materials or carbon-carbon materials. In one embodiment the system may be configured to analyze the material test sample while an across-ply loading is applied thereto.

Combining phase-field crystal methods with a Cahn-Hilliard model for binary alloys

NASA Astrophysics Data System (ADS)

Balakrishna, Ananya Renuka; Carter, W. Craig

2018-04-01

Diffusion-induced phase transitions typically change the lattice symmetry of the host material. In battery electrodes, for example, Li ions (diffusing species) are inserted between layers in a crystalline electrode material (host). This diffusion induces lattice distortions and defect formations in the electrode. The structural changes to the lattice symmetry affect the host material's properties. Here, we propose a 2D theoretical framework that couples a Cahn-Hilliard (CH) model, which describes the composition field of a diffusing species, with a phase-field crystal (PFC) model, which describes the host-material lattice symmetry. We couple the two continuum models via coordinate transformation coefficients. We introduce the transformation coefficients in the PFC method to describe affine lattice deformations. These transformation coefficients are modeled as functions of the composition field. Using this coupled approach, we explore the effects of coarse-grained lattice symmetry and distortions on a diffusion-induced phase transition process. In this paper, we demonstrate the working of the CH-PFC model through three representative examples: First, we describe base cases with hexagonal and square symmetries for two composition fields. Next, we illustrate how the CH-PFC method interpolates lattice symmetry across a diffuse phase boundary. Finally, we compute a Cahn-Hilliard type of diffusion and model the accompanying changes to lattice symmetry during a phase transition process.

Refractive index change mechanisms in different glasses induced by femtosecond laser irradiation

NASA Astrophysics Data System (ADS)

Fuerbach, A.; Gross, S.; Little, D.; Arriola, A.; Ams, M.; Dekker, P.; Withford, M.

2016-07-01

Tightly focused femtosecond laser pulses can be used to alter the refractive index of virtually all optical glasses. As the laser-induced modification is spatially limited to the focal volume of the writing beam, this technique enables the fabrication of fully three-dimensional photonic structures and devices that are automatically embedded within the host material. While it is well understood that the laser-material interaction process is initiated by nonlinear, typically multiphoton absorption, the actual mechanism that results in an increase or sometimes decrease of the refractive index of the glass strongly depends on the composition of the material and the process parameters and is still subject to scientific studies. In this paper, we present an overview of our recent work aimed at uncovering the physical and chemical processes that contribute to the observed material modification. Raman microscopy and electron microprobe analysis was used to study the induced modifications that occur within the glass matrix and the influence of atomic species migration forced by the femtosecond laser writing beam. In particular, we concentrate on borosilicate, heavy metal fluoride and phosphate glasses. We believe that our results represent an important step towards the development of engineered glass types that are ideally suited for the fabrication of photonic devices via the femtosecond laser direct write technique.

Setting Directions: Anisotropy in Hierarchically Organized Porous Silica

PubMed Central

2017-01-01

Structural hierarchy, porosity, and isotropy/anisotropy are highly relevant factors for mechanical properties and thereby the functionality of porous materials. However, even though anisotropic and hierarchically organized, porous materials are well known in nature, such as bone or wood, producing the synthetic counterparts in the laboratory is difficult. We report for the first time a straightforward combination of sol–gel processing and shear-induced alignment to create hierarchical silica monoliths exhibiting anisotropy on the levels of both, meso- and macropores. The resulting material consists of an anisotropic macroporous network of struts comprising 2D hexagonally organized cylindrical mesopores. While the anisotropy of the mesopores is an inherent feature of the pores formed by liquid crystal templating, the anisotropy of the macropores is induced by shearing of the network. Scanning electron microscopy and small-angle X-ray scattering show that the majority of network forming struts is oriented towards the shearing direction; a quantitative analysis of scattering data confirms that roughly 40% of the strut volume exhibits a preferred orientation. The anisotropy of the material’s macroporosity is also reflected in its mechanical properties; i.e., the Young’s modulus differs by nearly a factor of 2 between the directions of shear application and perpendicular to it. Unexpectedly, the adsorption-induced strain of the material exhibits little to no anisotropy. PMID:28989232

A Chemical Understanding of the Band Convergence in Thermoelectric CoSb 3 Skutterudites: Influence of Electron Population, Local Thermal Expansion, and Bonding Interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hanus, Riley; Guo, Xingyu; Tang, Yinglu

2017-01-13

N-Type skutterudites, such as Yb xCo 4Sb 12, have recently been shown to exhibit high valley degeneracy with possible band convergence, explaining the excellent thermoelectric efficiency of these materials. Using a combined theoretical and experimental approach involving temperature-dependent synchrotron diffraction, molecular orbital diagrams, and computational studies, the chemical nature of critical features in the band structure is highlighted. We identify how n-type doping on the filler site induces structural changes that are observed in both the diffraction data and computational results. Additionally, we show how chemical n-type doping slightly alters the electronic band structure, moving the high-valley degeneracy secondary conductionmore » band closer to the primary conduction band and thus inducing band convergence.« less

Analysis of passive damping in thick composite structures

NASA Technical Reports Server (NTRS)

Saravanos, D. A.

1993-01-01

Computational mechanics for the prediction of damping and other dynamic characteristics in composite structures of general thicknesses and laminations are presented. Discrete layer damping mechanics that account for the representation of interlaminar shear effects in the material are summarized. Finite element based structural mechanics for the analysis of damping are described, and a specialty finite element is developed. Applications illustrate the quality of the discrete layer damping mechanics in predicting the damped dynamic characteristics of composite structures with thicker sections and/or laminate configurations that induce interlaminar shear. The results also illustrate and quantify the significance of interlaminar shear damping in such composite structures.

Scattering properties of ultrafast laser-induced refractive index shaping lenticular structures in hydrogels

NASA Astrophysics Data System (ADS)

Wozniak, Kaitlin T.; Germer, Thomas A.; Butler, Sam C.; Brooks, Daniel R.; Huxlin, Krystel R.; Ellis, Jonathan D.

2018-02-01

We present measurements of light scatter induced by a new ultrafast laser technique being developed for laser refractive correction in transparent ophthalmic materials such as cornea, contact lenses, and/or intraocular lenses. In this new technique, called intra-tissue refractive index shaping (IRIS), a 405 nm femtosecond laser is focused and scanned below the corneal surface, inducing a spatially-varying refractive index change that corrects vision errors. In contrast with traditional laser correction techniques, such as laser in-situ keratomileusis (LASIK) or photorefractive keratectomy (PRK), IRIS does not operate via photoablation, but rather changes the refractive index of transparent materials such as cornea and hydrogels. A concern with any laser eye correction technique is additional scatter induced by the process, which can adversely affect vision, especially at night. The goal of this investigation is to identify sources of scatter induced by IRIS and to mitigate possible effects on visual performance in ophthalmic applications. Preliminary light scattering measurements on patterns written into hydrogel showed four sources of scatter, differentiated by distinct behaviors: (1) scattering from scanned lines; (2) scattering from stitching errors, resulting from adjacent scanning fields not being aligned to one another; (3) diffraction from Fresnel zone discontinuities; and (4) long-period variations in the scans that created distinct diffraction peaks, likely due to inconsistent line spacing in the writing instrument. By knowing the nature of these different scattering errors, it will now be possible to modify and optimize the design of IRIS structures to mitigate potential deficits in visual performance in human clinical trials.

Ab Initio Study of Electronic Excitation Effects on SrTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Shijun; Zhang, Yanwen; Weber, William J.

Interaction of energetic ions or lasers with solids often induces electronic excitations that may modify material properties significantly. In this study, effects of electronic excitations on strontium titanate SrTiO 3 (STO) are investigated based on first-principles calculations. The lattice structure, electronic properties, lattice vibrational frequencies, and dynamical stabilities are studied in detail. The results suggest that electronic excitation induces charge redistribution that is mainly observed in Ti–O bonds. The electronic band gap increases with increasing electronic excitation, as excitation mainly induces depopulation of Ti 3d states. Phonon analysis indicates that there is a large phonon band gap induced by electronicmore » excitation because of the changes in the vibrational properties of Ti and O atoms. In addition, a new peak appears in the phonon density of states with imaginary frequencies, an indication of lattice instability. Further dynamics simulations confirm that STO undergoes transition to an amorphous structure under strong electronic excitations. In conclusion, the optical properties of STO under electronic excitation are consistent with the evolution of atomic and electronic structures, which suggests a possibility to probe the properties of STO in nonequilibrium state using optical measurement.« less

Ab Initio Study of Electronic Excitation Effects on SrTiO 3

DOE PAGES

Zhao, Shijun; Zhang, Yanwen; Weber, William J.

2017-11-14

Interaction of energetic ions or lasers with solids often induces electronic excitations that may modify material properties significantly. In this study, effects of electronic excitations on strontium titanate SrTiO 3 (STO) are investigated based on first-principles calculations. The lattice structure, electronic properties, lattice vibrational frequencies, and dynamical stabilities are studied in detail. The results suggest that electronic excitation induces charge redistribution that is mainly observed in Ti–O bonds. The electronic band gap increases with increasing electronic excitation, as excitation mainly induces depopulation of Ti 3d states. Phonon analysis indicates that there is a large phonon band gap induced by electronicmore » excitation because of the changes in the vibrational properties of Ti and O atoms. In addition, a new peak appears in the phonon density of states with imaginary frequencies, an indication of lattice instability. Further dynamics simulations confirm that STO undergoes transition to an amorphous structure under strong electronic excitations. In conclusion, the optical properties of STO under electronic excitation are consistent with the evolution of atomic and electronic structures, which suggests a possibility to probe the properties of STO in nonequilibrium state using optical measurement.« less

Structural and optical properties improvements of PVP/gelatin blends induced by neutron irradiation

NASA Astrophysics Data System (ADS)

Basha, Mohammad Ahmad-Fouad; Hassan, Mohamed Ahmed

2018-05-01

Blends of polyvinylpyrrolidone and gelatin were prepared in three different concentrations to study the modifications in their structural and optical properties induced by neutron irradiations with different neutron fluence values from 108 up to 1011 neutron/cm2. X-ray spectroscopy revealed that the irradiation has induced a recrystallization phenomenon in the studied blends and the crystallinity index increased by increasing the neutron fluence due to the breaking of the crystallites. Fourier-transform infrared spectroscopy came to confirm the existence of interactions between interchain groups and a higher compatibility for the irradiated blends. The irradiation induced defects inside the material were responsible for the change in their optical and structural properties. The creation of free radicals or ions inside the conduction bands has led to the increase in the number of carriers on localized states; this has caused the increase in optical conductivity of the irradiated blends as a result of decreasing the energy gaps by increasing the neutron fluence. Results may widen the applications of the gelatin based blends to include optoelectronic devices, organic light emitting devices, solar selective and anti-reflectance bio-coatings, optical organic glass and lenses.

Modeling and Application of Piezoelectric Materials in Repair of Engineering Structures

NASA Astrophysics Data System (ADS)

Wu, Nan

The shear horizontal wave propagation and vibration of piezoelectric coupled structures under an open circuit electrical boundary condition are studied. Following the studies on the dynamic response of piezoelectric coupled structures, the repair of both crack/notch and delaminated structures using piezoelectric materials are conducted. The main contribution was the proposed the active structural repair design using piezoelectric materials for different structures. An accurate model for the piezoelectric effect on the shear wave propagation is first proposed to guide the application of piezoelectric materials as sensors and actuators in the repair of engineering structures. A vibration analysis of a circular steel substrate surface bonded by a piezoelectric layer with open circuit is presented. The mechanical models and solutions for the wave propagation and vibration analysis of piezoelectric coupled structures are established based on the Kirchhoff plate model and Maxwell equation. Following the studies of the dynamic response of piezoelectric coupled structures, a close-loop feedback control repair methodology is proposed for a vibrating delaminated beam structure by using piezoelectric patches. The electromechanical characteristic of the piezoelectric material is employed to induce a local shear force above the delamination area via an external actuation voltage, which is designed as a feedback of the deflection of a vibrating beam and a delaminated plate, to reduce the stress singularity around the delamination tips. Furthermore, an experimental realization of an effective repair of a notched cantilever beam structure subjected to a dynamic loading by use of piezoelectric patches is reported. A small piezoelectric patch used as a sensor is placed on the notch position to monitor the severity of the stress singularity around the notch area by measuring the charge output on the sensor, and a patch used as an actuator is located around the notch area to generate a required bending moment by employing an actuation voltage to reduce the stress singularity at the notch position. The actuation voltage on the actuator is designed from a feedback circuit process. Through the analytical model, FEM simulation and experimental studies, the active structural repair method using piezoelectric materials is realized and proved to be feasible and practical.

Biocompatible Materials Based on Self-Assembling Peptides on Ti25Nb10Zr Alloy: Molecular Structure and Organization Investigated by Synchrotron Radiation Induced Techniques

PubMed Central

Franchi, Stefano; Braic, Mariana; Skála, Tomáš; Nováková, Jaroslava; Zamuner, Annj

2018-01-01

In this work, we applied advanced Synchrotron Radiation (SR) induced techniques to the study of the chemisorption of the Self Assembling Peptide EAbuK16, i.e., H-Abu-Glu-Abu-Glu-Abu-Lys-Abu-Lys-Abu-Glu-Abu-Glu-Abu-Lys-Abu-Lys-NH2 that is able to spontaneously aggregate in anti-parallel β-sheet conformation, onto annealed Ti25Nb10Zr alloy surfaces. This synthetic amphiphilic oligopeptide is a good candidate to mimic extracellular matrix for bone prosthesis, since its β-sheets stack onto each other in a multilayer oriented nanostructure with internal pores of 5–200 nm size. To prepare the biomimetic material, Ti25Nb10Zr discs were treated with aqueous solutions of EAbuK16 at different pH values. Here we present the results achieved by performing SR-induced X-ray Photoelectron Spectroscopy (SR-XPS), angle-dependent Near Edge X-ray Absorption Fine Structure (NEXAFS) spectroscopy, FESEM and AFM imaging on Ti25Nb10Zr discs after incubation with self-assembling peptide solution at five different pH values, selected deliberately to investigate the best conditions for peptide immobilization. PMID:29518968

Multiferroic behavior in CdCr2X4(X=S,Se)

NASA Astrophysics Data System (ADS)

Hemberger, J.; Lunkenheimer, P.; Fichtl, R.; Weber, S.; Tsurkan, V.; Loidl, A.

2006-05-01

The recently discovered multiferroic material CdCr2S4 shows a coexistence of ferromagnetism and relaxor ferroelectricity together with a colossal magnetocapacitive effect. The complex dielectric permittivity of this compound and of the structurally related CdCr2Se4 was studied by means of broadband dielectric spectroscopy using different electrode materials. The observed magnetocapacitive coupling at the magnetic transition is driven by enormous changes of the relaxation dynamics induced by the development of magnetic order.

Quantitative nondestructive evaluation of materials and structures

NASA Technical Reports Server (NTRS)

Smith, Barry T.

1991-01-01

An experimental investigation was undertaken to quantify damage tolerance and resistance in composite materials impacted using the drop-weight method. Tests were conducted on laminates of several different carbon-fiber composite systems, such as epoxies, modified epoxies, and amorphous and semicrystalline thermoplastics. Impacted composite specimens were examined using destructive and non-destructive techniques to establish the characteristic damage states. Specifically, optical microscopy, ultrasonic, and scanning electron microscopy techniques were used to identify impact induced damage mechanisms. Damage propagation during post impact compression was also studied.

Visible-Light Modulation on Lattice Dielectric Responses of a Piezo-Phototronic Soft Material.

PubMed

Huang, E-Wen; Hsu, Yu-Hsiang; Chuang, Wei-Tsung; Ko, Wen-Ching; Chang, Chung-Kai; Lee, Chih-Kung; Chang, Wen-Chi; Liao, Tzu-Kang; Thong, Hao Cheng

2015-12-16

In situ synchrotron X-ray diffraction is used to investigate a three-way piezo-phototronic soft material. This new system is composed of a semi-crystalline poly(vinylidene fluoride-co-trifluoroethylene) piezoelectric polymer and titanium oxide nanoparticles. Under light illumination, photon-induced piezoelectric responses are nearly two times higher at both the lattice-structure and the macroscopic level than under conditions without light illumination. A mechanistic model is proposed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ultraviolet laser-induced lateral photovoltaic response in anisotropic black shale

NASA Astrophysics Data System (ADS)

Miao, Xinyang; Zhu, Jing; Zhao, Kun; Yue, Wenzheng

2017-12-01

The anisotropy of shale has significant impact on oil and gas exploration and engineering. In this paper, a-248 nm ultraviolet laser was employed to assess the anisotropic lateral photovoltaic (LPV) response of shale. Anisotropic angle-depending voltage signals were observed with different peak amplitudes ( V p) and decay times. We employed exponential models to explain the charge carrier transport in horizontal and vertical directions. Dependences of the laser-induced LPV on the laser spot position were observed. Owing to the Dember effect and the layered structure of shale, V p shows an approximately linear dependence with the laser-irradiated position for the 0° shale sample but nonlinearity for the 45° and 90° ones. The results demonstrate that the laser-induced voltage method is very sensitive to the structure of materials, and thus has a great potential in oil and gas reservoir characterization.

Electro-optical interfacial effects on a graphene/π-conjugated organic semiconductor hybrid system

PubMed Central

Araujo, Karolline A S; Cury, Luiz A; Matos, Matheus J S; Fernandes, Thales F D; Cançado, Luiz G

2018-01-01

The influence of graphene and retinoic acid (RA) – a π-conjugated organic semiconductor – interface on their hybrid system is investigated. The physical properties of the interface are assessed via scanning probe microscopy, optical spectroscopy (photoluminescence and Raman) and ab initio calculations. The graphene/RA interaction induces the formation of a well-organized π-conjugated self-assembled monolayer (SAM) at the interface. Such structural organization leads to the high optical emission efficiency of the RA SAM, even at room temperature. Additionally, photo-assisted electrical force microscopy, photo-assisted scanning Kelvin probe microscopy and Raman spectroscopy indicate a RA-induced graphene doping and photo-charge generation. Finally, the optical excitation of the RA monolayer generates surface potential changes on the hybrid system. In summary, interface-induced organized structures atop 2D materials may have an important impact on both design and operation of π-conjugated nanomaterial-based hybrid systems. PMID:29600157

Influence of laser wavelength on two-dimensional carbon nanosheet formation from laser-induced exfoliation of naphthalene

NASA Astrophysics Data System (ADS)

Qian, Min; Niu, Yue Ping; Gong, Shang Qing

2018-01-01

Pulsed Nd:YAG (532 nm) and Excimer (248 nm) lasers were employed to produce freestanding, two-dimensional (2D), carbon nanosheets (CNSs) from naphthalene, through laser-induced exfoliation. The polymer-to-carbon transition was investigated in terms of laser wavelengths, fluences, as well as target preparations. Continuous and porous CNSs of several nanometers in thickness and micrometers in size were obtained from 532 and 248 nm pulsed laser exfoliation of spin-coated naphthalene films, respectively. The porous morphology is ascribed to the photon-induced dissociation of chemical bonds dominated in 248 nm laser interaction with ablated naphthalene. With the increase of laser fluences from 1 to 5 J cm-2, amorphous carbon and ultrathin CNS structures were obtained in sequence. This work revealed a general mechanism of producing 2D structured carbon materials from pulsed laser exfoliation.

Mechanical and structural properties of bone in non-critical and critical healing in rat.

PubMed

Hoerth, Rebecca M; Seidt, Britta M; Shah, Miheer; Schwarz, Carolin; Willie, Bettina M; Duda, Georg N; Fratzl, Peter; Wagermaier, Wolfgang

2014-09-01

A fracture in bone results in a dramatic change of mechanical loading conditions at the site of injury. Usually, bone injuries heal normally but with increasing fracture gaps, healing is retarded, eventually leading to non-unions. The clinical situation of these two processes with different outcomes is well described. However, the exact relation between the mechanical environment and characteristics of the tissues at all levels of structural hierarchy remains unclear. Here we studied the differences in material formation of non-critical (1mm) and critical (5mm gap) healing. We employed a rat osteotomy model to explore bone material structure depending upon the different mechanical conditions. In both cases, primary bone formation was followed by secondary bone deposition with mineral particle sizes changing from on average short and thick to long and thin particles. Bony bridging occurred at first in the endosteal callus and the nanostructure and microstructure developed towards cortical ordered material organization. In contrast, in critical healing, instead of bridging, a marrow cavity closure was formed endosteal, exhibiting tissue structure oriented along the curvature and a periosteal callus with less mature material structure. The two healing processes separated between 4 and 6 weeks post-osteotomy. The outcome of healing was determined by the varied geometrical conditions in critical and non-critical healing, inducing completely different mechanical situations. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Advances in concrete materials for sewer systems affected by microbial induced concrete corrosion: A review.

PubMed

Grengg, Cyrill; Mittermayr, Florian; Ukrainczyk, Neven; Koraimann, Günther; Kienesberger, Sabine; Dietzel, Martin

2018-05-01

Microbial induced concrete corrosion (MICC) is recognized as one of the main degradation mechanisms of subsurface infrastructure worldwide, raising the demand for sustainable construction materials in corrosive environments. This review aims to summarize the key research progress acquired during the last decade regarding the understanding of MICC reaction mechanisms and the development of durable materials from an interdisciplinary perspective. Special focus was laid on aspects governing concrete - micoorganisms interaction since being the central process steering biogenic acid corrosion. The insufficient knowledge regarding the latter is proposed as a central reason for insufficient progress in tailored material development for aggressive wastewater systems. To date no cement-based material exists, suitable to withstand the aggressive conditions related to MICC over its entire service life. Research is in particular needed on the impact of physiochemical material parameters on microbial community structure, growth characteristics and limitations within individual concrete speciation. Herein an interdisciplinary approach is presented by combining results from material sciences, microbiology, mineralogy and hydrochemistry to stimulate the development of novel and sustainable materials and mitigation strategies for MICC. For instance, the application of antibacteriostatic agents is introduced as an effective instrument to limit microbial growth on concrete surfaces in aggressive sewer environments. Additionally, geopolymer concretes are introduced as highly resistent in acid environments, thus representing a possible green alternative to conventional cement-based construction materials. Copyright © 2018 Elsevier Ltd. All rights reserved.

Deposition and melting behaviors for formation of micro/nano structures from nanostructures with femtosecond pulses

NASA Astrophysics Data System (ADS)

Chen, Tong; Wang, Wenjun; Tao, Tao; Mei, Xuesong; Pan, Aifei

2018-04-01

This study reported the fabrication of a large area of micro/nano structures with different morphologies and sizes by the deposition of ablated material and melting of material on silicon through a line-shaped femtosecond laser beam irradiation. The evolution of micro/nano structures on the silicon surface was demonstrated with the laser fluence of 0.64 J/cm2. It was found that the melting of material was responsible for the formation of the micro-protrusions from laser-induced periodic surface structures (LIPSSs). Additionally, the deposition fell on the surface of the micro-protrusions in oblique incidence way, causing LIPSSs obscure and even invisible. As a consequence, those micro-protrusions gradually evolved into the micro-spikes with the ladder-like surface. Then, various laser fluences were applied to regulate the deposition and melting behaviors of silicon, to obtain the micro/nano structures with different morphologies and sizes. The formation mechanism of these micro/nano structures was analyzed. On this basis, the optical properties test showed that best anti-reflectivity was referred to the sample full of micro-spikes with the ladder-like surface, and the average reflectance has decreased from ∼38.17% of the planar silicon to∼4.75% in the waveband between 300 and 1000 nm.

Ultrafine Ceramic Grains Embedded in Metallic Glass Matrix: Achieving Superior Wear Resistance via Increase in Both Hardness and Toughness.

PubMed

Yang, Lina; Wen, Mao; Dai, Xuan; Cheng, Gang; Zhang, Kan

2018-05-09

As structural materials, crystalline or metallic glass materials have attracted scientific and practical interests. However, some mechanisms involving critical size and shear bands have adverse effects on their mechanical properties. Here, we counter these two effects by introducing a special structure with ultrafine ceramic grains (with a diameter of ∼2.0 nm) embedded into a metallic glass matrix, wherein the grains are mainly composed of a Ta-W-N solid solution structure in nature, surrounded by a W-based amorphous matrix that contains Ta and N atoms. Such a structure is in situ formed during preparation, which combines the merits of both phases to achieve simultaneous increase in hardness and toughness relative to references (pure TaN and W) and thus superior wear resistance. Even more remarkable, a favorable variation of increased hardness but reduced elasticity modulus can be induced by this structure. Intrinsically, ultrafine ceramic grains (free of dislocations), embedded in the metallic glass matrix, could prevent shear band propagation within the glass matrix and further improve the hardness of the matrix material. In return, such glass matrix allows for stiffness neutralization and structural relaxation to reduce the elasticity modulus of ceramic grains. This study will offer a new guidance to fabricate ultrahigh-performance metal-based composites.

Application of pulsed multi-ion irradiations in radiation damage research: A stochastic cluster dynamics simulation study

NASA Astrophysics Data System (ADS)

Hoang, Tuan L.; Nazarov, Roman; Kang, Changwoo; Fan, Jiangyuan

2018-07-01

Under the multi-ion irradiation conditions present in accelerated material-testing facilities or fission/fusion nuclear reactors, the combined effects of atomic displacements with radiation products may induce complex synergies in the structural materials. However, limited access to multi-ion irradiation facilities and the lack of computational models capable of simulating the evolution of complex defects and their synergies make it difficult to understand the actual physical processes taking place in the materials under these extreme conditions. In this paper, we propose the application of pulsed single/dual-beam irradiation as replacements for the expensive steady triple-beam irradiation to study radiation damages in materials under multi-ion irradiation.

Structure/property development in aPET during large strain, solid phase polymer processing

NASA Astrophysics Data System (ADS)

Martin, Peter; Mohamed, Raja Roslan Raja

2015-12-01

Amorphous Polyethylene terephthalate (aPET) is increasingly of interest for the polymer packaging industry due to its blend of excellent mechanical properties and most importantly its ease of recyclability. Among the major commercial polymers it is almost unique in the degree of improvement in mechanical properties that can be obtained through process-induced strain. For many years these unique properties have been very successfully exploited in the injection stretch blow molding process, where it is deliberately stretched to very large strains using extremely high pressures. However, the material is now also being used in much lower pressure processes such as thermoforming where its properties are often not fully exploited. In this work the change in structure and properties of aPET with strain is systematically investigated using a high speed biaxial stretching machine. The aim was to demonstrate how the properties of the material could be controlled by large strain, high temperature biaxial stretching processes such as thermoforming and blow molding. The results show that property changes in the material are driven by orientation and the onset of rapid strain hardening at large strains. This in turn is shown to vary strongly with process-induced parameters such as the strain rate and the mode and magnitude of biaxial deformation.

Surface modification induced by UV nanosecond Nd:YVO4 laser structuring on biometals

NASA Astrophysics Data System (ADS)

Fiorucci, M. Paula; López, Ana J.; Ramil, Alberto

2014-08-01

Laser surface texturing is a promising tool for improving metallic biomaterials performance in dental and orthopedic bone-replacing applications. Laser ablation modifies the topography of bulk material and might alter surface properties that govern the interactions with the surrounding tissue. This paper presents a preliminary evaluation of surface modifications in two biometals, stainless steel 316L and titanium alloy Ti6Al4V by UV nanosecond Nd:YVO4. Scanning electron microscopy of the surface textured by parallel micro-grooves reveals a thin layer of remelted material along the grooves topography. Furthermore, X-ray diffraction allowed us to appreciate a grain refinement of original crystal structure and consequently induced residual strain. Changes in the surface chemistry were determined by means of X-ray photoelectron spectroscopy; in this sense, generalized surface oxidation was observed and characterization of the oxides and other compounds such hydroxyl groups was reported. In case of titanium alloy, oxide layer mainly composed by TiO2 which is a highly biocompatible compound was identified. Furthermore, laser treatment produces an increase in oxide thickness that could improve the corrosion behavior of the metal. Otherwise, laser treatment led to the formation of secondary phases which might be detrimental to physical and biocompatibility properties of the material.

Supersonic Rocket Thruster Flow Predicted by Numerical Simulation

NASA Technical Reports Server (NTRS)

Davoudzadeh, Farhad

2004-01-01

Despite efforts in the search for alternative means of energy, combustion still remains the key source. Most propulsion systems primarily use combustion for their needed thrust. Associated with these propulsion systems are the high-velocity hot exhaust gases produced as the byproducts of combustion. These exhaust products often apply uneven high temperature and pressure over the surfaces of the appended structures exposed to them. If the applied pressure and temperature exceed the design criteria of the surfaces of these structures, they will not be able to protect the underlying structures, resulting in the failure of the vehicle mission. An understanding of the flow field associated with hot exhaust jets and the interactions of these jets with the structures in their path is critical not only from the design point of view but for the validation of the materials and manufacturing processes involved in constructing the materials from which the structures in the path of these jets are made. The hot exhaust gases often flow at supersonic speeds, and as a result, various incident and reflected shock features are present. These shock structures induce abrupt changes in the pressure and temperature distribution that need to be considered. In addition, the jet flow creates a gaseous plume that can easily be traced from large distances. To study the flow field associated with the supersonic gases induced by a rocket engine, its interaction with the surrounding surfaces, and its effects on the strength and durability of the materials exposed to it, NASA Glenn Research Center s Combustion Branch teamed with the Ceramics Branch to provide testing and analytical support. The experimental work included the full range of heat flux environments that the rocket engine can produce over a flat specimen. Chamber pressures were varied from 130 to 500 psia and oxidizer-to-fuel ratios (o/f) were varied from 1.3 to 7.5.

A Comparison of Photo-Induced Hysteresis Between Hydrogenated Amorphous Silicon and Amorphous IGZO Thin-Film Transistors.

PubMed

Ha, Tae-Jun; Cho, Won-Ju; Chung, Hong-Bay; Koo, Sang-Mo

2015-09-01

We investigate photo-induced instability in thin-film transistors (TFTs) consisting of amorphous indium-gallium-zinc-oxide (a-IGZO) as active semiconducting layers by comparing with hydrogenated amorphous silicon (a-Si:H). An a-IGZO TFT exhibits a large hysteresis window in the illuminated measuring condition but no hysteresis window in the dark condition. On the contrary, a large hysteresis window measured in the dark condition in a-Si:H was not observed in the illuminated condition. Even though such materials possess the structure of amorphous phase, optical responses or photo instability in TFTs looks different from each other. Photo-induced hysteresis results from initially trapped charges at the interface between semiconductor and dielectric films or in the gate dielectric which possess absorption energy to interact with deep trap-states and affect the movement of Fermi energy level. In order to support our claim, we also perform CV characteristics in photo-induced hysteresis and demonstrate thermal-activated hysteresis. We believe that this work can provide important information to understand different material systems for optical engineering which includes charge transport and band transition.

STUDIES ON THE CHEMICAL NATURE OF THE SUBSTANCE INDUCING TRANSFORMATION OF PNEUMOCOCCAL TYPES

PubMed Central

Avery, Oswald T.; MacLeod, Colin M.; McCarty, Maclyn

1944-01-01

1. From Type III pneumococci a biologically active fraction has been isolated in highly purified form which in exceedingly minute amounts is capable under appropriate cultural conditions of inducing the transformation of unencapsulated R variants of Pneumococcus Type II into fully encapsulated cells of the same specific type as that of the heat-killed microorganisms from which the inducing material was recovered. 2. Methods for the isolation and purification of the active transforming material are described. 3. The data obtained by chemical, enzymatic, and serological analyses together with the results of preliminary studies by electrophoresis, ultracentrifugation, and ultraviolet spectroscopy indicate that, within the limits of the methods, the active fraction contains no demonstrable protein, unbound lipid, or serologically reactive polysaccharide and consists principally, if not solely, of a highly polymerized, viscous form of desoxyribonucleic acid. 4. Evidence is presented that the chemically induced alterations in cellular structure and function are predictable, type-specific, and transmissible in series. The various hypotheses that have been advanced concerning the nature of these changes are reviewed. PMID:19871359

Tailoring transition-metal hydroxides and oxides by photon-induced reactions

DOE PAGES

Niu, Kai -Yang; Fang, Liang; Ye, Rong; ...

2016-10-18

Controlled synthesis of transition-metal hydroxides and oxides with earth-abundant elements have attracted significant interest because of their wide applications, for example as battery electrode materials or electrocatalysts for fuel generation. Here, we report the tuning of the structure of transition-metal hydroxides and oxides by controlling chemical reactions using an unfocused laser to irradiate the precursor solution. A Nd:YAG laser with wavelengths of 532 nm or 1064 nm was used. The Ni 2+, Mn 2+, and Co 2+ ion-containing aqueous solution undergoes photo-induced reactions and produces hollow metal-oxide nanospheres (Ni 0.18Mn 0.45Co 0.37O x) or core–shell metal hydroxide nanoflowers ([Ni 0.15Mnmore » 0.15Co 0.7(OH) 2](NO 3) 0.2•H 2O), depending on the laser wavelengths. We propose two reaction pathways, either by photo-induced redox reaction or hydrolysis reaction, which are responsible for the formation of distinct nanostructures. As a result, the study of photon-induced materials growth shines light on the rational design of complex nanostructures with advanced functionalities.« less

Transformers: the changing phases of low-dimensional vanadium oxide bronzes.

PubMed

Marley, Peter M; Horrocks, Gregory A; Pelcher, Kate E; Banerjee, Sarbajit

2015-03-28

In this feature article, we explore the electronic and structural phase transformations of ternary vanadium oxides with the composition MxV2O5 where M is an intercalated cation. The periodic arrays of intercalated cations ordered along quasi-1D tunnels or layered between 2D sheets of the V2O5 framework induce partial reduction of the framework vanadium atoms giving rise to charge ordering patterns that are specific to the metal M and stoichiometry x. This periodic charge ordering makes these materials remarkably versatile platforms for studying electron correlation and underpins the manifestation of phenomena such as colossal metal-insulator transitions, quantized charge corrals, and superconductivity. We describe current mechanistic understanding of these emergent phenomena with a particular emphasis on the benefits derived from scaling these materials to nanostructured dimensions wherein precise ordering of cations can be obtained and phase relationships can be derived that are entirely inaccessible in the bulk. In particular, structural transformations induced by intercalation are dramatically accelerated due to the shorter diffusion path lengths at nanometer-sized dimensions, which cause a dramatic reduction of kinetic barriers to phase transformations and facilitate interconversion between the different frameworks. We conclude by summarizing numerous technological applications that have become feasible due to recent advances in controlling the structural chemistry and both electronic and structural phase transitions in these versatile frameworks.

New family of graphene-based organic semiconductors: An investigation of photon-induced electronic structure manipulation in half-fluorinated graphene

NASA Astrophysics Data System (ADS)

Walter, Andrew L.; Sahin, Hasan; Kang, Jun; Jeon, Ki-Joon; Bostwick, Aaron; Horzum, Seyda; Moreschini, Luca; Chang, Young Jun; Peeters, Francois M.; Horn, Karsten; Rotenberg, Eli

2016-02-01

The application of graphene to electronic and optoelectronic devices is limited by the absence of reliable semiconducting variants of this material. A promising candidate in this respect is graphene oxide, with a band gap on the order of ˜5 eV , however, this has a finite density of states at the Fermi level. Here, we examine the electronic structure of three variants of half -fluorinated carbon on Sic(0001), i.e., the (6 √{3 }×6 √{3 } ) R 30∘ C/SiC "buffer layer," graphene on this (6 √{3 }×6 √{3 } ) R 30∘ C/SiC buffer layer, and graphene decoupled from the SiC substrate by hydrogen intercalation. Using angle-resolved photoemission, core level photoemission, and x-ray absorption, we show that the electronic, chemical, and physical structure of all three variants is remarkably similar, exhibiting a large band gap and a vanishing density of states at the Fermi level. These results are explained in terms of first-principles calculations. This material thus appears very suitable for applications, even more so since it is prepared on a processing-friendly substrate. We also investigate two separate UV photon-induced modifications of the electronic structure that transform the insulating samples (6.2-eV band gap) into semiconducting (˜2.5 -eV band gap) and metallic regions, respectively.

Exploiting Photo-induced Reactions in Polymer Blends to Create Hierarchically Ordered, Defect-free Materials

ScienceCinema

Balazs, Anna [University of Pittsburgh, Pittsburgh, Pennsylvania, United States

2017-12-09

Computer simulations reveal how photo-induced chemical reactions can be exploited to create long-range order in binary and ternary polymeric materials. The process is initiated by shining a spatially uniform light over a photosensitive AB binary blend, which undergoes both a reversible chemical reaction and phase separation. We then introduce a well-collimated, higher-intensity light source. Rastering this secondary light over the sample locally increases the reaction rate and causes formation of defect-free, spatially periodic structures. These binary structures resemble either the lamellar or hexagonal phases of microphase-separated di-block copolymers. We measure the regularity of the ordered structures as a function of the relative reaction rates for different values of the rastering speed and determine the optimal conditions for creating defect-free structures in the binary systems. We then add a non-reactive homo-polymer C, which is immiscible with both A and B. We show that this component migrates to regions that are illuminated by the secondary, higher-intensity light, allowing us to effectively write a pattern of C onto the AB film. Rastering over the ternary blend with this collimated light now leads to hierarchically ordered patterns of A, B, and C. The findings point to a facile, non-intrusive process for manufacturing high-quality polymeric devices in a low-cost, efficient manner.

NDT detection and quantification of induced defects on composite helicopter rotor blade and UAV wing sections

NASA Astrophysics Data System (ADS)

Findeis, Dirk; Gryzagoridis, Jasson; Musonda, Vincent

2008-09-01

Digital Shearography and Infrared Thermography (IRT) techniques were employed to test non-destructively samples from aircraft structures of composite material nature. Background information on the techniques is presented and it is noted that much of the inspection work reviewed in the literature has focused on qualitative evaluation of the defects rather than quantitative. There is however, need to quantify the defects if the threshold rejection criterion of whether the component inspected is fit for service has to be established. In this paper an attempt to quantify induced defects on a helicopter main rotor blade and Unmanned Aerospace Vehicle (UAV) composite material is presented. The fringe patterns exhibited by Digital Shearography were used to quantify the defects by relating the number of fringes created to the depth of the defect or flaw. Qualitative evaluation of defects with IRT was achieved through a hot spot temperature indication above the flaw on the surface of the material. The results of the work indicate that the Shearographic technique proved to be more sensitive than the IRT technique. It should be mentioned that there is "no set standard procedure" tailored for testing of composites. Each composite material tested is more likely to respond differently to defect detection and this depends generally on the component geometry and a suitable selection of the loading system to suit a particular test. The experimental procedure that is reported in this paper can be used as a basis for designing a testing or calibration procedure for defects detection on any particular composite material component or structure.

Modeling defect cluster evolution in irradiated structural materials: Focus on comparing to high-resolution experimental characterization studies

DOE PAGES

Wirth, Brian D.; Hu, Xunxiang; Kohnert, Aaron; ...

2015-03-02

Exposure of metallic structural materials to irradiation environments results in significant microstructural evolution, property changes, and performance degradation, which limits the extended operation of current generation light water reactors and restricts the design of advanced fission and fusion reactors. Further, it is well recognized that these irradiation effects are a classic example of inherently multiscale phenomena and that the mix of radiation-induced features formed and the corresponding property degradation depend on a wide range of material and irradiation variables. This inherently multiscale evolution emphasizes the importance of closely integrating models with high-resolution experimental characterization of the evolving radiation-damaged microstructure. Lastly,more » this article provides a review of recent models of the defect microstructure evolution in irradiated body-centered cubic materials, which provide good agreement with experimental measurements, and presents some outstanding challenges, which will require coordinated high-resolution characterization and modeling to resolve.« less

Induced radioactivity in LDEF components

NASA Technical Reports Server (NTRS)

Harmon, B. A.; Fishman, G. J.; Parnell, T. A.; Laird, C. E.

1992-01-01

A systematic study of the induced radioactivity of the Long Duration Exposure Facility (LDEF) is being carried out in order to gather information about the low earth orbit radiation environment and its effects on materials. The large mass of the LDEF spacecraft, its stabilized configuration, and long mission duration have presented an opportunity to determine space radiation-induced radioactivities with a precision not possible before. Data presented include preliminary activities for steel and aluminum structural samples, and activation subexperiment foils. Effects seen in the data show a clear indication of the trapped proton anisotropy in the South Atlantic Anomaly and suggest contributions from different sources of external radiation fluxes.

Fluorite transition metal hydride induced destabilization of the MgH2 system in MgH2/TMH2 multilayers ( TM=Sc , Ti, V, Cr, Y, Zr, Nb, La, Hf)

NASA Astrophysics Data System (ADS)

Tao, S. X.; Notten, P. H. L.; van Santen, R. A.; Jansen, A. P. J.

2010-09-01

The structural changes in MgH2 induced by contact with fluorite transition metal hydrides ( TMH2 , TM=Sc , Ti, V, Cr, Y, Zr, Nb, La, Hf) have been studied using density-functional theory calculations. Models of MgH2(rutile)/TiH2(fluorite) and MgH2(fluorite)/TiH2(fluorite) multilayers with different Mg:TM ratios have been designed. With a fixed thickness of the TMH2 layer, structure transformation of MgH2 from rutile to fluorite occurs with a decrease in thickness of the MgH2 layer. The hydrogen desorption energy from the fluorite MgH2 layer in the multilayers is significantly lower than that of the bulk rutile MgH2 . The structural deformation of the MgH2 layer due to the strain induced by TMH2 is found to be responsible for the destabilization of the Mg-H bond: the more structural deformation, the more destabilization of the Mg-H. Our results provide an important insight for the development of new hydrogen-storage materials with desirable thermodynamic properties.

Revealing nanoparticle assembly under high pressure.

NASA Astrophysics Data System (ADS)

Fan, Hongyou

Precise control of structural parameters through nanoscale engineering to improve optical and electronic properties of functional nanoparticles continuously remains an outstanding challenge. Previous work on nanoparticle assembly has been conducted largely at ambient pressure. Here I will present a new Stress-Induced Fabrication method in which we applied high pressure or stress to nanoparticle arrays to induce structural phase transition and to consolidate new nanomaterials with precisely controlled structures and tunable properties. By manipulating nanoparticle coupling through external pressure, a reversible change in their assemblies and properties can be achieved and demonstrated. In addition, over a certain threshold, the external pressure will force these nanoparticles into contact, thereby allowing the formation and consolidation of one- to three-dimensional nanostructures. Through stress induced nanoparticle assembly, materials engineering and synthesis become remarkably flexible without relying on traditional crystallization process where atoms/ions are locked in a specific crystal structure. Therefore, morphology or architecture can be readily tuned to produce desirable properties for practical applications. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

A Highly Tunable Silicone-Based Magnetic Elastomer with Nanoscale Homogeneity

PubMed Central

Evans, Benjamin A.; Fiser, Briana L.; Prins, Willem J.; Rapp, Daniel J.; Shields, Adam R.; Glass, Daniel R.; Superfine, R.

2011-01-01

Magnetic elastomers have been widely pursued for sensing and actuation applications. Silicone-based magnetic elastomers have a number of advantages over other materials such as hydrogels, but aggregation of magnetic nanoparticles within silicones is difficult to prevent. Aggregation inherently limits the minimum size of fabricated structures and leads to non-uniform response from structure to structure. We have developed a novel material which is a complex of a silicone polymer (polydimethylsiloxane-co-aminopropylmethylsiloxane) adsorbed onto the surface of magnetite (γ-Fe203) nanoparticles 7–10 nm in diameter. The material is homogenous at very small length scales (< 100 nm) and can be crosslinked to form a flexible, magnetic material which is ideally suited for the fabrication of micro- to nanoscale magnetic actuators. The loading fraction of magnetic nanoparticles in the composite can be varied smoothly from 0 – 50% wt. without loss of homogeneity, providing a simple mechanism for tuning actuator response. We evaluate the material properties of the composite across a range of nanoparticle loading, and demonstrate a magnetic-field-induced increase in compressive modulus as high as 300%. Furthermore, we implement a strategy for predicting the optimal nanoparticle loading for magnetic actuation applications, and show that our predictions correlate well with experimental findings. PMID:22184482

A Highly Tunable Silicone-Based Magnetic Elastomer with Nanoscale Homogeneity.

PubMed

Evans, Benjamin A; Fiser, Briana L; Prins, Willem J; Rapp, Daniel J; Shields, Adam R; Glass, Daniel R; Superfine, R

2012-02-01

Magnetic elastomers have been widely pursued for sensing and actuation applications. Silicone-based magnetic elastomers have a number of advantages over other materials such as hydrogels, but aggregation of magnetic nanoparticles within silicones is difficult to prevent. Aggregation inherently limits the minimum size of fabricated structures and leads to non-uniform response from structure to structure. We have developed a novel material which is a complex of a silicone polymer (polydimethylsiloxane-co-aminopropylmethylsiloxane) adsorbed onto the surface of magnetite (γ-Fe(2)0(3)) nanoparticles 7-10 nm in diameter. The material is homogenous at very small length scales (< 100 nm) and can be crosslinked to form a flexible, magnetic material which is ideally suited for the fabrication of micro- to nanoscale magnetic actuators. The loading fraction of magnetic nanoparticles in the composite can be varied smoothly from 0 - 50% wt. without loss of homogeneity, providing a simple mechanism for tuning actuator response. We evaluate the material properties of the composite across a range of nanoparticle loading, and demonstrate a magnetic-field-induced increase in compressive modulus as high as 300%. Furthermore, we implement a strategy for predicting the optimal nanoparticle loading for magnetic actuation applications, and show that our predictions correlate well with experimental findings.

Applications of laser-induced periodic surface structures (LIPSS)

NASA Astrophysics Data System (ADS)

Bonse, Jörn; Kirner, Sabrina V.; Höhm, Sandra; Epperlein, Nadja; Spaltmann, Dirk; Rosenfeld, Arkadi; Krüger, Jörg

2017-02-01

Laser-induced periodic surface structures (LIPSS, ripples) are a universal phenomenon that can be observed on almost any material after the irradiation by linearly polarized laser beams, particularly when using ultrashort laser pulses with durations in the picosecond to femtosecond range. During the past few years significantly increasing research activities have been reported in the field of LIPSS, since their generation in a single-step process provides a simple way of nanostructuring and surface functionalization towards the control of optical, mechanical or chemical properties. In this contribution current applications of LIPSS are reviewed, including the colorization of technical surfaces, the control of surface wetting, the tailoring of surface colonization by bacterial biofilms, and the improvement of the tribological performance of nanostructured metal surfaces.

Coexistence of Magnetic Order and Ferroelectricity at 2D Nanosheet Interfaces.

PubMed

Li, Bao-Wen; Osada, Minoru; Ebina, Yasuo; Ueda, Shigenori; Sasaki, Takayoshi

2016-06-22

Multiferroic materials, in which the electronic polarization can be switched by a magnetic field and vice versa, are of fundamental importance for new electronic technologies. However, there exist very few single-phase materials that exhibit such cross-coupling properties at room temperature, and heterostructures with a strong magnetoelectric coupling have only been made with complex techniques. Here, we present a rational design for multiferroic materials by use of a layer-by-layer engineering of 2D nanosheets. Our approach to new multiferroic materials is the artificial construction of high-quality superlattices by interleaving ferromagnetic Ti0.8Co0.2O2 nanosheets with dielectric perovskite-structured Ca2Nb3O10 nanosheets. Such an artificial structuring allows us to engineer the interlayer coupling, and the (Ti0.8Co0.2O2/Ca2Nb3O10/Ti0.8Co0.2O2) superlattices induce room-temperature ferroelectricity in the presence of the ferromagnetic order. Our technique provides a new route for tailoring artificial multiferroic materials in a highly controllable manner.

A methodology to guide the selection of composite materials in a wind turbine rotor blade design process

NASA Astrophysics Data System (ADS)

Bortolotti, P.; Adolphs, G.; Bottasso, C. L.

2016-09-01

This work is concerned with the development of an optimization methodology for the composite materials used in wind turbine blades. Goal of the approach is to guide designers in the selection of the different materials of the blade, while providing indications to composite manufacturers on optimal trade-offs between mechanical properties and material costs. The method works by using a parametric material model, and including its free parameters amongst the design variables of a multi-disciplinary wind turbine optimization procedure. The proposed method is tested on the structural redesign of a conceptual 10 MW wind turbine blade, its spar caps and shell skin laminates being subjected to optimization. The procedure identifies a blade optimum for a new spar cap laminate characterized by a higher longitudinal Young's modulus and higher cost than the initial one, which however in turn induce both cost and mass savings in the blade. In terms of shell skin, the adoption of a laminate with intermediate properties between a bi-axial one and a tri-axial one also leads to slight structural improvements.

Synthesis, characterization, and physical properties of 1D nanostructures

NASA Astrophysics Data System (ADS)

Marley, Peter Mchael

The roster of materials exhibiting metal---insulator transitions with sharply discontinuous switching of electrical conductivity close to room temperature remains rather sparse despite the fundamental interest in the electronic instabilities manifested in such materials and the plethora of potential technological applications, ranging from frequency-agile metamaterials to electrochromic coatings and Mott field-effect transistors. Vanadium oxide bronzes with the general formula MxV2O 5, provide a wealth of compositions and frameworks where strong electron correlation can be systematically (albeit thus far only empirically) tuned. Charge fluctuations along the quasi-1D frameworks of MxV 2O5 bronzes have evinced much recent interest owing to the manifestation of colossal metal---insulator transitions and superconductivity. We start with a general review on the phase transitions, both electronic and structural, of vanadium oxide bronzes in Chapter 1. In Chapter 2, we demonstrate an unprecedented reversible transformation between double-layered (delta) and tunnel (beta) quasi-1D geometries for nanowires of a divalent vanadium bronze CaxV2O5 (x ˜0.23) upon annealing-induced dehydration and hydrothermally-induced hydration. Such a facile hydration/dehydration-induced interconversion between two prominent quasi-1D structures (accompanied by a change in charge ordering motifs) has not been observed in the bulk and is posited to result from the ease of propagation of crystallographic slip processes across the confined nanowire widths for the delta→beta conversion and the facile diffusion of water molecules within the tunnel geometries for the beta→delta reversion. We demonstrate in Chapter 3 unprecedented pronounced metal-insulator transitions induced by application of a voltage for nanowires of a vanadium oxide bronze with intercalated divalent cations, beta-PbxV 2O5 (x ˜0.33). The induction of the phase transition through application of an electric field at room temperature makes this system particularly attractive and viable for technological applications. A mechanistic basis for the phase transition is proposed based on charge disproportionation evidenced at room temperature in near-edge X-ray absorption fine structure (NEXAFS) spectroscopy measurements, ab initio density functional theory calculations of the band structure, and electrical transport data suggesting that transformation to the metallic state is induced by melting of specific charge localization and ordering motifs extant in these materials. In Chapter 4, we report the synthesis of single-crystalline delta-Ag 0.88V2O5 nanowires and unravel pronounced electronic phase transitions induced in response to temperature and applied electric field. Specifically, a pronounced semiconductor---semiconductor transition is evidenced for these materials at ca. 150 K upon heating and a distinctive insulator---conductor transition is observed upon application of an in-plane voltage. An orbital-specific picture of the mechanistic basis of the phase transitions is proposed using a combination of density functional theory (DFT) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Structural refinements above and below the transition temperature, angle-resolved O K-edge NEXAFS spectra, and DFT calculations suggest that the electronic phase transitions in these 2D frameworks are mediated by a change in the overlap of d xy orbitals. The classical orthorhombic layered phase of V2O5 has long been regarded as the thermodynamic sink for binary vanadium oxides and has found great practical utility as a result of its open framework and easily accessible redox states. Concluding with Chapter 5, we exploit a cation-exchange mechanism to synthesize a new stable tunnel-structured polymorph of V 2O5 (zeta-V2O5) and demonstrate the subsequent ability of this framework to accommodate Li and Mg ions. The facile extraction and insertion of cations and stabilization of the novel tunnel framework is facilitated by the nanometer-sized dimensions of the materials, which leads to accommodation of strain without amorphization. The topotactic approach demonstrated here indicates not just novel intercalation chemistry accessible at nanoscale dimensions but also suggests a facile synthetic route to ternary vanadium oxide bronzes (MxV2O 5) exhibiting intriguing physical properties that range from electronic phase transitions to charge ordering and superconductivity.

Electrofabrication of functional materials: Chloramine-based antimicrobial film for infectious wound treatment.

PubMed

Qu, Xue; Liu, Huan; Zhang, Chuchu; Lei, Yu; Lei, Miao; Xu, Miao; Jin, Dawei; Li, Peng; Yin, Meng; Payne, Gregory F; Liu, Changsheng

2018-06-01

Electrical signals can be imposed with exquisite spatiotemporal control and provide exciting opportunities to create structure and confer function. Here, we report the use of electrical signals to program the fabrication of a chloramine wound dressing with high antimicrobial activity. This method involves two electrofabrication steps: (i) a cathodic electrodeposition of an aminopolysaccharide chitosan triggered by a localized region of high pH; and (ii) an anodic chlorination of the deposited film in the presence of chloride. This electrofabrication process is completed within several minutes and the chlorinated chitosan can be peeled from the electrode to yield a free-standing film. The presence of active NCl species in this electrofabricated film was confirmed with chlorination occurring first on the amine groups and then on the amide groups when large anodic charges were used. Electrofabrication is quantitatively controllable as the cathodic input controls film growth during deposition and the anodic input controls film chlorination. In vitro studies demonstrate that the chlorinated chitosan film has antimicrobial activities that depend on the chlorination degree. In vivo studies with a MRSA infected wound healing model indicate that the chlorinated chitosan film inhibited bacterial growth, induced less inflammation, developed reorganized epithelial and dermis structures, and thus promoted wound healing compared to a bare wound or wound treated with unmodified chitosan. These results demonstrate the fabrication of advanced functional materials (i.e., antimicrobial wound dressings) using controllable electrical signals to both organize structure through non-covalent interactions (i.e., induce chitosan's reversible self-assembly) and to initiate function-conferring covalent modifications (i.e., generate chloramine bonds). Potentially, electrofabrication may provide a simple, low cost and sustainable alternative for materials fabrication. We believe this work is novel because this is the first report (to our knowledge) that electronic signals enable the fabrication of advanced antimicrobial dressings with controlled structure and biological performance. We believe this work is significant because electrofabrication enables rapid, controllable and sustainable materials construction with reduced adverse environmental impacts while generating high performance materials for healthcare applications. More specifically, we report an electrofbrication of antimicrobial film that can promote wound healing. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Progress in piezo-phototronic effect modulated photovoltaics.

PubMed

Que, Miaoling; Zhou, Ranran; Wang, Xiandi; Yuan, Zuqing; Hu, Guofeng; Pan, Caofeng

2016-11-02

Wurtzite structured materials, like ZnO, GaN, CdS, and InN, simultaneously possess semiconductor and piezoelectric properties. The inner-crystal piezopotential induced by external strain can effectively tune/control the carrier generation, transport and separation/combination processes at the metal-semiconductor contact or p-n junction, which is called the piezo-phototronic effect. This effect can efficiently enhance the performance of photovoltaic devices based on piezoelectric semiconductor materials by utilizing the piezo-polarization charges at the junction induced by straining, which can modulate the energy band of the piezoelectric material and then accelerate or prevent the separation process of the photon-generated electrons and vacancies. This paper introduces the fundamental physics principles of the piezo-phototronic effect, and reviews recent progress in piezo-phototronic effect enhanced solar cells, including solar cells based on semiconductor nanowire, organic/inorganic materials, quantum dots, and perovskite. The piezo-phototronic effect is suggested as a suitable basis for the development of an innovative method to enhance the performance of solar cells based on piezoelectric semiconductors by applied extrinsic strains, which might be appropriate for fundamental research and potential applications in various areas of optoelectronics.

Progress in piezo-phototronic effect modulated photovoltaics

NASA Astrophysics Data System (ADS)

Que, Miaoling; Zhou, Ranran; Wang, Xiandi; Yuan, Zuqing; Hu, Guofeng; Pan, Caofeng

2016-11-01

Wurtzite structured materials, like ZnO, GaN, CdS, and InN, simultaneously possess semiconductor and piezoelectric properties. The inner-crystal piezopotential induced by external strain can effectively tune/control the carrier generation, transport and separation/combination processes at the metal-semiconductor contact or p-n junction, which is called the piezo-phototronic effect. This effect can efficiently enhance the performance of photovoltaic devices based on piezoelectric semiconductor materials by utilizing the piezo-polarization charges at the junction induced by straining, which can modulate the energy band of the piezoelectric material and then accelerate or prevent the separation process of the photon-generated electrons and vacancies. This paper introduces the fundamental physics principles of the piezo-phototronic effect, and reviews recent progress in piezo-phototronic effect enhanced solar cells, including solar cells based on semiconductor nanowire, organic/inorganic materials, quantum dots, and perovskite. The piezo-phototronic effect is suggested as a suitable basis for the development of an innovative method to enhance the performance of solar cells based on piezoelectric semiconductors by applied extrinsic strains, which might be appropriate for fundamental research and potential applications in various areas of optoelectronics.

Variation in the electrical properties of ion beam irradiated cadmium selenate nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chauhan, R. P., E-mail: chauhanrpc@gmail.com; Narula, Chetna; Panchal, Suresh

The key feature of nanowires consists in the pronounced change in properties induced by the low dimensionality and high surface to volume ratio. The study of electrical transport properties of nanowires is important for electronic device applications. Energetic ions create changes, which may be structural or chemical, in a material along their track and these changes might alter the material’s properties. The demand of the modern technology is to understand the effect of radiation on the different properties of the material for its further applications. The present study is on the high-energy Nickel ion beam (160 MeV Ni{sup +12}) induced modificationsmore » in the electrical and structural properties of the cadmium selenate nanowires. An enhancement in the electrical conductivity of irradiated wires was observed as the ion fluence was increased especially in the forward I–V characteristics. The creation of defects by ion irradiation and the synergy of the ions during their passage in the sample with the intrinsic charge carriers may be responsible for the variation in the transport properties of the irradiated nanowires.« less

Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals.

PubMed

Wilbraham, Liam; Louis, Marine; Alberga, Domenico; Brosseau, Arnaud; Guillot, Régis; Ito, Fuyuki; Labat, Frédéric; Métivier, Rémi; Allain, Clémence; Ciofini, Ilaria

2018-05-29

Mechanofluorochromic molecular materials display a change in fluorescence color through mechanical stress. Complex structure-property relationships in both the crystalline and amorphous phases of these materials govern both the presence and strength of this behavior, which is usually deemed the result of a mechanically induced phase transition. However, the precise nature of the emitting species in each phase is often a matter of speculation, resulting from experimental data that are difficult to interpret, and a lack of an acceptable theoretical model capable of capturing complex environmental effects. With a combined strategy using sophisticated experimental techniques and a new theoretical approach, here the varied mechanofluorochromic behavior of a series of difluoroboron diketonates is shown to be driven by the formation of low-energy exciton traps in the amorphous phase, with a limited number of traps giving rise to the full change in fluorescence color. The results highlight intrinsic structural links between crystalline and amorphous phases, and how these may be exploited for further development of powerful mechanofluorochromic assemblies, in line with modern crystal engineering approaches. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An emerging pore-making strategy: confined swelling-induced pore generation in block copolymer materials.

PubMed

Wang, Yong; Li, Fengbin

2011-05-17

Block copolymers (BCPs) composed of two or more thermodynamically incompatible homopolymers self-assemble into periodic microdomains. Exposing self-assembled BCPs with solvents selective to one block causes a swelling of the domains composed of this block. Strong swelling in the confinement imposed by the matrix of the other glassy block leads to well-defined porous structures via morphology reconstruction. This confined swelling-induced pore-making process has emerged recently as a new strategy to produce porous materials due to synergic advantages that include extreme simplicity, high pore regularity, involvement of no chemical reactions, no weight loss, reversibility of the pore forming process, etc. The mechanism, kinetics, morphology, and governing parameters of the confined swelling-induced pore-making process in BCP thin films are discussed, and the main applications of nanoporous thin films in the fields of template synthesis, surface patterning, and guidance for the areal arrangements of nanomaterials and biomolecules are summarized. Recent, promising results of extending this mechanism to produce BCP nanofibers or nanotubes and bulk materials with well-defined porosity, which makes this strategy also attractive to researchers outside the nanocommunity, are also presented. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Impact of polymer structure and composition on fully resorbable endovascular scaffold performance

PubMed Central

Ferdous, Jahid; Kolachalama, Vijaya B.; Shazly, Tarek

2014-01-01

Fully erodible endovascular scaffolds are being increasingly considered for the treatment of obstructive arterial disease owing to their potential to mitigate long-term risks associated with permanent alternatives. While complete scaffold erosion facilitates vessel healing, generation and release of material degradation by-products from candidate materials such as poly-l-lactide (PLLA) may elicit local inflammatory responses that limit implant efficacy. We developed a computational framework to quantify how the compositional and structural parameters of PLLA-based fully erodible endovascular scaffolds affect degradation kinetics, erosion kinetics and the transient accumulation of material by-products within the arterial wall. Parametric studies reveal that, while some material properties have similar effects on these critical processes, others induce qualitatively opposing responses. For example, scaffold degradation is only mildly responsive to changes in either PLLA polydispersity or the initial degree of crystallinity, while the erosion kinetics is comparatively sensitive to crystallinity. Moreover, lactide doping can effectively tune both scaffold degradation and erosion, but a concomitant increase in local byproduct accumulation raises concerns about implant safety. Optimized erodible endovascular scaffolds must precisely balance therapeutic function and biological response over the implant lifetime, where compositional and structural parameters will have differential effects on implant performance. PMID:23261926

Study design and analysis of automobile bumper for pedestrian safety

NASA Astrophysics Data System (ADS)

Kulkarni, Akash; Vora, Rushabh; Ravi, K.

2017-11-01

This paper aims to design and analyse the bumper beam structure, in order to ensure the protection of the pedestrians along with the occupants inside the vehicle. The concern shown towards the pedestrian safety is because, each year about 2,70,000 pedestrians are killed in road accidents that accounts to 22% of the total deaths. From the literature review, it was inferred that the mounting position of bumper and material selection play a crucial role in maximising the pedestrian safety. Hence in this paper, the effects of bumper mounting position and the bumper beam material have been studied, with reference to an explicit dynamic collision involving with a dummy human lower leg set-up. The acceptance of a particular mounting position/material was based on the fact that the maximum stress and deformation induced were less than the yield limits of the human leg form structure (representing the skin, femur and tibia).

The Portevin–Le Chatelier effect: a review of experimental findings

PubMed Central

Yilmaz, Ahmet

2011-01-01

The Portevin–Le Chatelier (PLC) effect manifests itself as an unstable plastic flow during tensile tests of some dilute alloys under certain regimes of strain rate and temperature. The plastic strain becomes localized in the form of bands which move along a specimen gauge in various ways as the PLC effect occurs. Because the localization of strain causes degradation of the inherent structural properties and surface quality of materials, understanding the effect is crucial for the effective use of alloys. The characteristic behaviors of localized strain bands and techniques commonly used to study the PLC effect are summarized in this review. A brief overview of experimental findings, the effect of material properties and test parameters on the PLC effect, and some discussion on the mechanisms of the effect are included. Tests for predicting the early failure of structural materials due to embrittlement induced by the PLC effect are also discussed. PMID:27877450

Constructive spin-orbital angular momentum coupling can twist materials to create spiral structures in optical vortex illumination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barada, Daisuke; Center for Optical Research and Education; Juman, Guzhaliayi

It was discovered that optical vortices twist isotropic and homogenous materials, e.g., azo-polymer films to form spiral structures on a nano- or micro-scale. However, the formation mechanism has not yet been established theoretically. To understand the mechanism of the spiral surface relief formation in the azo-polymer film, we theoretically investigate the optical radiation force induced in an isotropic and homogeneous material under irradiation using a continuous-wave optical vortex with arbitrary topological charge and polarization. It is revealed that the spiral surface relief formation in azo-polymer films requires the irradiation of optical vortices with a positive (negative) spin angular momentum andmore » a positive (negative) orbital angular momentum (constructive spin-orbital angular momentum coupling), i.e., the degeneracy among the optical vortices with the same total angular momentum is resolved.« less

High-frequency rotational losses in different soft magnetic composites

NASA Astrophysics Data System (ADS)

de la Barrière, O.; Appino, C.; Ragusa, C.; Fiorillo, F.; Mazaleyrat, F.; LoBue, M.

2014-05-01

The isotropic properties of Soft Magnetic Composites (SMC) favor the design of new machine topologies and their granular structure can induce a potential decrease of the dynamic loss component. This paper is devoted to the characterization of the broadband magnetic losses of different SMC types under alternating and circular induction. The investigated materials differ by their grain size, heat treatment, compaction rate, and binder type. It is shown that, up to peak polarization Jp = 1.25 T, the ratios between the rotational and the alternating loss components (classical, hysteresis, and excess) are quite independent of the material structural details, quite analogous to the known behavior of nonoriented steel laminations. On the contrary, at higher inductions, it is observed that the Jp value at which the rotational hysteresis loss attains its maximum, related to the progressive disappearance of the domain walls under increasing rotational fields, decreases with the material susceptibility.

Structural disorder in molecular framework materials.

PubMed

Cairns, Andrew B; Goodwin, Andrew L

2013-06-21

It is increasingly apparent that many important classes of molecular framework material exhibit a variety of interesting and useful types of structural disorder. This tutorial review summarises a number of recent efforts to understand better both the complex microscopic nature of this disorder and also how it might be implicated in useful functionalities of these materials. We draw on a number of topical examples including topologically-disordered zeolitic imidazolate frameworks (ZIFs), porous aromatic frameworks (PAFs), the phenomena of temperature-, pressure- and desorption-induced amorphisation, partial interpenetration, ferroelectric transition-metal formates, negative thermal expansion in cyanide frameworks, and the mechanics and processing of layered frameworks. We outline the various uses of pair distribution function (PDF) analysis, dielectric spectroscopy, peak-shape analysis of powder diffraction data and single-crystal diffuse scattering measurements as means of characterising disorder in these systems, and we suggest a number of opportunities for future research in the field.

Space environmental effects on spacecraft: LEO materials selection guide, part 1

NASA Astrophysics Data System (ADS)

Silverman, Edward M.

1995-08-01

This document provides performance properties on major spacecraft materials and subsystems that have been exposed to the low-Earth orbit (LEO) space environment. Spacecraft materials include metals, polymers, composites, white and black paints, thermal-control blankets, adhesives, and lubricants. Spacecraft subsystems include optical components, solar cells, and electronics. Information has been compiled from LEO short-term spaceflight experiments (e.g., space shuttle) and from retrieved satellites of longer mission durations (e.g., Long Duration Exposure Facility). Major space environment effects include atomic oxygen (AO), ultraviolet radiation, micrometeoroids and debris, contamination, and particle radiation. The main objective of this document is to provide a decision tool to designers for designing spacecraft and structures. This document identifies the space environments that will affect the performance of materials and components, e.g., thermal-optical property changes of paints due to UV exposures, AO-induced surface erosion of composites, dimensional changes due to thermal cycling, vacuum-induced moisture outgassing, and surface optical changes due to AO/UV exposures. Where appropriate, relationships between the space environment and the attendant material/system effects are identified. Part 1 covers spacecraft design considerations for the space environment; advanced composites; polymers; adhesives; metals; ceramics; protective coatings; and lubricants, greases, and seals.

Space environmental effects on spacecraft: LEO materials selection guide, part 2

NASA Astrophysics Data System (ADS)

Silverman, Edward M.

1995-08-01

This document provides performance properties on major spacecraft materials and subsystems that have been exposed to the low-Earth orbit (LEO) space environment. Spacecraft materials include metals, polymers, composites, white and black paints, thermal-control blankets, adhesives, and lubricants. Spacecraft subsystems include optical components, solar cells, and electronics. Information has been compiled from LEO short-term spaceflight experiments (e.g., space shuttle) and from retrieved satellites of longer mission durations (e.g., Long Duration Exposure Facility). Major space environment effects include atomic oxygen (AO), ultraviolet radiation, micrometeoroids and debris, contamination, and particle radiation. The main objective of this document is to provide a decision tool to designers for designing spacecraft and structures. This document identifies the space environments that will affect the performance of materials and components, e.g., thermal-optical property changes of paints due to UV exposures, AO-induced surface erosion of composites, dimensional changes due to thermal cycling, vacuum-induced moisture outgassing, and surface optical changes due to AO/UV exposures. Where appropriate, relationships between the space environment and the attendant material/system effects are identified. Part 2 covers thermal control systems, power systems, optical components, electronic systems, and applications.

Space environmental effects on spacecraft: LEO materials selection guide, part 2

NASA Technical Reports Server (NTRS)

Silverman, Edward M.

1995-01-01

This document provides performance properties on major spacecraft materials and subsystems that have been exposed to the low-Earth orbit (LEO) space environment. Spacecraft materials include metals, polymers, composites, white and black paints, thermal-control blankets, adhesives, and lubricants. Spacecraft subsystems include optical components, solar cells, and electronics. Information has been compiled from LEO short-term spaceflight experiments (e.g., space shuttle) and from retrieved satellites of longer mission durations (e.g., Long Duration Exposure Facility). Major space environment effects include atomic oxygen (AO), ultraviolet radiation, micrometeoroids and debris, contamination, and particle radiation. The main objective of this document is to provide a decision tool to designers for designing spacecraft and structures. This document identifies the space environments that will affect the performance of materials and components, e.g., thermal-optical property changes of paints due to UV exposures, AO-induced surface erosion of composites, dimensional changes due to thermal cycling, vacuum-induced moisture outgassing, and surface optical changes due to AO/UV exposures. Where appropriate, relationships between the space environment and the attendant material/system effects are identified. Part 2 covers thermal control systems, power systems, optical components, electronic systems, and applications.

Space environmental effects on spacecraft: LEO materials selection guide, part 1

NASA Technical Reports Server (NTRS)

Silverman, Edward M.

1995-01-01

This document provides performance properties on major spacecraft materials and subsystems that have been exposed to the low-Earth orbit (LEO) space environment. Spacecraft materials include metals, polymers, composites, white and black paints, thermal-control blankets, adhesives, and lubricants. Spacecraft subsystems include optical components, solar cells, and electronics. Information has been compiled from LEO short-term spaceflight experiments (e.g., space shuttle) and from retrieved satellites of longer mission durations (e.g., Long Duration Exposure Facility). Major space environment effects include atomic oxygen (AO), ultraviolet radiation, micrometeoroids and debris, contamination, and particle radiation. The main objective of this document is to provide a decision tool to designers for designing spacecraft and structures. This document identifies the space environments that will affect the performance of materials and components, e.g., thermal-optical property changes of paints due to UV exposures, AO-induced surface erosion of composites, dimensional changes due to thermal cycling, vacuum-induced moisture outgassing, and surface optical changes due to AO/UV exposures. Where appropriate, relationships between the space environment and the attendant material/system effects are identified. Part 1 covers spacecraft design considerations for the space environment; advanced composites; polymers; adhesives; metals; ceramics; protective coatings; and lubricants, greases, and seals.

Potential of laser-induced breakdown spectroscopy for discrimination of nano-sized carbon materials. Insights on the optical characterization of graphene

NASA Astrophysics Data System (ADS)

Serrano, J.; Cabalín, L. M.; Moros, J.; Laserna, J. J.

2014-07-01

Since its invention in 2004, graphene has attracted considerable interest worldwide. Advances in the use of graphene in materials science and engineering require important increases in the quality of the final product for integration in photonic and electronic devices. To meet this demand, which will become increasingly strict in the future, analytical techniques capable of differentiating between the starting materials and graphene need to be developed. The interest in the use of laser-induced breakdown spectroscopy (LIBS) for this application rests on the rapid progress experienced by this technology for identification of carbon-based materials of close chemical composition. The potential of LIBS has been explored here by a careful investigation of the spectral properties of both multi-layer and few-layer graphene, graphite and graphene oxide. Results reveal significant differences in the specific optical emission responses of these materials, expressly reflected on the behavior of CN and C2 molecular emissions. These differences result from the particularities of the materials, such as the number of carbon layers and the carbon hybridization in the bonding structure, together with the post-ablation evolution of the concerned plasma plume. In short, this interconnection between ablation and emission events generated from each material allows its characterization and its differentiation from other materials with highly similar chemical composition.

Effects of elevated temperatures on different restorative materials: An aid to forensic identification processes

PubMed Central

Pol, Chetan A.; Ghige, Suvarna K.; Gosavi, Suchitra R.; Hazarey, Vinay K.

2015-01-01

Background: Heat-induced alterations to dental and restorative materials can be of great interest to forensic dentistry. Knowing the specific optical behavior of dental materials can be of high importance as recognition of changes induced by high temperatures can lead to the determination of material which was used in a dental restoration, facilitating identification of burned human remains. Aim: To observe the effects of predetermined temperatures (200°C–400°C–600°C–800°C–1000°C) on unrestored teeth and different restorative materials macroscopically and then examine them under a stereomicroscope for the purpose of identification. Materials and Methods: The study was conducted on 375 extracted teeth which were divided into five groups of 75 teeth each as follows: group 1- unrestored teeth, group 2- teeth restored with all-ceramic crowns, Group 3- with class I silver amalgam filling, group 4- with class I composite restoration, and group 5- with class I glass ionomer cement restoration. Results: Unrestored and restored teeth display a series of specific macroscopic & stereomicroscopic structural changes for each range of temperature. Conclusion: Dental tissues and restorative materials undergo a series of changes which correlate well with the various temperatures to which they were exposed. These changes are a consequence of the nature of the materials and their physicochemical characteristics. PMID:26005305

Controlling the electronic and geometric structures of 2D insertions to realize high performance metal/insertion-MoS2 sandwich interfaces.

PubMed

Su, Jie; Feng, Liping; Zeng, Wei; Liu, Zhengtang

2017-06-08

Metal/insertion-MoS 2 sandwich interfaces are designed to reduce the Schottky barriers at metal-MoS 2 interfaces. The effects of geometric and electronic structures of two-dimensional (2D) insertion materials on the contact properties of metal/insertion-MoS 2 interfaces are comparatively studied by first-principles calculations. Regardless of the geometric and electronic structures of 2D insertion materials, Fermi level pinning effects and charge scattering at the metal/insertion-MoS 2 interface are weakened due to weak interactions between the insertion and MoS 2 layers, no gap states and negligible structural deformations for MoS 2 layers. The Schottky barriers at metal/insertion-MoS 2 interfaces are induced by three interface dipoles and four potential steps that are determined by the charge transfers and structural deformations of 2D insertion materials. The lower the electron affinities of 2D insertion materials, the more are the electrons lost from the Sc surface, resulting in lower n-type Schottky barriers at Sc/insertion-MoS 2 interfaces. The larger the ionization potentials and the thinner the thicknesses of 2D insertion materials, the fewer are the electrons that accumulate at the Pt surface, leading to lower p-type Schottky barriers at Pt/insertion-MoS 2 interfaces. All Sc/insertion-MoS 2 interfaces exhibited ohmic characters. The Pt/BN-MoS 2 interface exhibits the lowest p-type Schottky barrier of 0.52 eV due to the largest ionization potential (∼6.88 eV) and the thinnest thickness (single atomic layer thickness) of BN. These results in this work are beneficial to understand and design high performance metal/insertion-MoS 2 interfaces through 2D insertion materials.

Laser-induced transformation of graphitic materials to two-dimensional graphene-like structures at ambient conditions.

PubMed

Antonelou, Aspasia; Benekou, Vasiliki; Dracopoulos, Vasileios; Kollia, Mary; Yannopoulos, Spyros N

2018-06-27

Laser processing of carbon containing compounds towards the formation of graphene-based structures gains ground over the last years in view of the practicality that lasers offer against other conventional graphene preparation methods. The current work explores the viability of low-cost lasers, operating at ambient conditions, for the transformation of various graphitic materials to structures with graphene-like atomic arrangement. Starting materials are at two opposing sides. On one side stand typical graphite powder with Bernal stacking and strong sp2 character, while nanocrystalline or quasi-amorphous graphitic powders such as carbon black and activated carbon are also investigated. Electron microscopies are employed to observe post-irradiation morphological changes while Raman scattering identifies details on atomic arrangement. It is demonstrated that graphene-like structures can be prepared either by starting from a well-organized Bernal-stacked network or by irradiating the quasi-amorphous forms of nanocrystalline carbon. Mild structural changes in the former case pertain to increase of the interlayer spacing, which could possibly be rationalized by considering a mechanism based on Coulomb expansion. For less organized carbon structures, reorganization of the atomic arrangement with an appreciable sp3 to sp2 transformation is observed. The findings of this work confirm that laser processing at minimal chamber conditions demonstrate high potential for preparing high-quality graphene-based structures starting from low cost materials. The proposed method being easily scalable adaptable to current technological platforms is expected to be transformed to a viable and eco-friendly graphene production technology. © 2018 IOP Publishing Ltd.

Laser-induced periodic surface structures formation: investigation of the effect of nonlinear absorption of laser energy in different materials

NASA Astrophysics Data System (ADS)

Levy, Yoann; Bulgakova, Nadezhda M.; Mocek, Tomáš

2017-05-01

To get insight into laser-induced periodic surface structures (LIPSS) formation, the relaxation of a modulation in the temperature profile is investigated numerically on surfaces of two different kinds of materials (metals and dielectrics; gold and fused silica as examples) upon irradiation by ultrashort laser pulses. The temperature modulation is assumed to originate from the interference between the incoming laser pulse and the surface electromagnetic wave, which is considered as the main mechanism of LIPSS formation. For comparative studies of laser energy dissipation, a simplified 2D approach is used. It is based on the two-temperature model (TTM) and considers the mechanisms of nonlinear absorption of laser light (multiphoton ionization in fused silica; temperature-dependent thermophysical and optical properties in gold) and relaxation (electron trapping to excitonic states in fused silica). The TTM is coupled with the Drude model, considering the evolution of optical properties as a function of free-carrier density and/or temperature. The development and decay of the lattice temperature modulation, which can govern the LIPSS formation, is followed during electron-lattice thermalization time and beyond. It is shown that strong temperature gradients can form along the surfaces of both kinds of materials under study within the fluence range typical for LIPSS formation. Considerable changes in optical properties of these materials are found as a function of time, including metals, for which a constant reflectivity is usually assumed. Effects of nonlinear absorption on the surface temperature dynamics are reported.

Effect of C6+ Ion Irradiation on structural and electrical properties of Yb and Eu doped Bi1.5 Zn0.92 Nb1.5 O6.92 pyrochlores

NASA Astrophysics Data System (ADS)

Yumak, Mehmet; Mergen, Ayhan; Qureshi, Anjum; Singh, N. L.

2015-03-01

Pyrochlore general formula of A2B2X7 where A and B are cations and X is an anion Pyrochlore compounds exhibit semiconductor, metallic or ionic conduction properties, depending on the doping, compositions/ substituting variety of cations and oxygen partial pressure. Ion beam irradiation can induce the structural disordering by mixing the cation and anion sublattices, therefore we aim to inevestigate effects of irradiation in pyrochlore compounds. In this study, Eu and Yb-doped Bi1.5Zn0.92Nb1.5O6.92 (Eu-BZN, Yb-BZN) Doping effect and single phase formation of Eu-BZN, Yb-BZN was characterized by X-ray diffraction technique (XRD). Radiation-induced effect of 85 MeV C6+ ions on Eu-BZN, Yb-BZN was studied by XRD, scanning electron microscopy (SEM) and temperature dependent dielectric measurements at different fluences. XRD results revealed that the ion beam-induced structural amorphization processes in Eu-BZN and Yb-BZN structures. Our results suggested that the ion beam irradiation induced the significant change in the temprature depndent dielectric properties of Eu-BZN and Yb-BZN pyrochlores due to the increased oxygen vacancies as a result of cation and anion disordering. Department of Metallurgical and Materials Eng., Marmara University, Istanbul-81040, Turkey.

Defect interactions with stepped CeO₂/SrTiO₃ interfaces: implications for radiation damage evolution and fast ion conduction.

PubMed

Dholabhai, Pratik P; Aguiar, Jeffery A; Misra, Amit; Uberuaga, Blas P

2014-05-21

Due to reduced dimensions and increased interfacial content, nanocomposite oxides offer improved functionalities in a wide variety of advanced technological applications, including their potential use as radiation tolerant materials. To better understand the role of interface structures in influencing the radiation damage tolerance of oxides, we have conducted atomistic calculations to elucidate the behavior of radiation-induced point defects (vacancies and interstitials) at interface steps in a model CeO2/SrTiO3 system. We find that atomic-scale steps at the interface have substantial influence on the defect behavior, which ultimately dictate the material performance in hostile irradiation environments. Distinctive steps react dissimilarly to cation and anion defects, effectively becoming biased sinks for different types of defects. Steps also attract cation interstitials, leaving behind an excess of immobile vacancies. Further, defects introduce significant structural and chemical distortions primarily at the steps. These two factors are plausible origins for the enhanced amorphization at steps seen in our recent experiments. The present work indicates that comprehensive examination of the interaction of radiation-induced point defects with the atomic-scale topology and defect structure of heterointerfaces is essential to evaluate the radiation tolerance of nanocomposites. Finally, our results have implications for other applications, such as fast ion conduction.

Giant Phonon Anharmonicity and Anomalous Pressure Dependence of Lattice Thermal Conductivity in Y2Si2O7 silicate

PubMed Central

Luo, Yixiu; Wang, Jiemin; Li, Yiran; Wang, Jingyang

2016-01-01

Modification of lattice thermal conductivity (κL) of a solid by means of hydrostatic pressure (P) has been a crucially interesting approach that targets a broad range of advanced materials from thermoelectrics and thermal insulators to minerals in mantle. Although it is well documented knowledge that thermal conductivity of bulk materials normally increase upon hydrostatic pressure, such positive relationship is seriously challenged when it comes to ceramics with complex crystal structure and heterogeneous chemical bonds. In this paper, we predict an abnormally negative trend dκL/dP < 0 in Y2Si2O7 silicate using density functional theoretical calculations. The mechanism is disclosed as combined effects of slightly decreased group velocity and significantly augmented scattering of heat-carrying acoustic phonons in pressured lattice, which is originated from pressure-induced downward shift of low-lying optic and acoustic phonons. The structural origin of low-lying optic phonons as well as the induced phonon anharmonicity is also qualitatively elucidated with respect to intrinsic bonding heterogeneity of Y2Si2O7. The present results are expected to bring deeper insights for phonon engineering and modulation of thermal conductivity in complex solids with diverging structural flexibility, enormous bonding heterogeneity, and giant phonon anharmonicity. PMID:27430670

Defect-Induced Hedgehog Polarization States in Multiferroics

NASA Astrophysics Data System (ADS)

Li, Linze; Cheng, Xiaoxing; Jokisaari, Jacob R.; Gao, Peng; Britson, Jason; Adamo, Carolina; Heikes, Colin; Schlom, Darrell G.; Chen, Long-Qing; Pan, Xiaoqing

2018-03-01

Continuous developments in nanotechnology require new approaches to materials synthesis that can produce novel functional structures. Here, we show that nanoscale defects, such as nonstoichiometric nanoregions (NSNRs), can act as nano-building blocks for creating complex electrical polarization structures in the prototypical multiferroic BiFeO3 . An array of charged NSNRs are produced in BiFeO3 thin films by tuning the substrate temperature during film growth. Atomic-scale scanning transmission electron microscopy imaging reveals exotic polarization rotation patterns around these NSNRs. These polarization patterns resemble hedgehog or vortex topologies and can cause local changes in lattice symmetries leading to mixed-phase structures resembling the morphotropic phase boundary with high piezoelectricity. Phase-field simulations indicate that the observed polarization configurations are mainly induced by charged states at the NSNRs. Engineering defects thus may provide a new route for developing ferroelectric- or multiferroic-based nanodevices.

Polymer-induced compression of biological hydrogels

NASA Astrophysics Data System (ADS)

Datta, Sujit; Preska Steinberg, Asher; Ismagilov, Rustem

Hydrogels - such as mucus, blood clots, and the extracellular matrix - provide critical functions in biological systems. However, little is known about how their structure is influenced by many of the polymeric materials they come into contact with regularly. Here, we focus on one critically important biological hydrogel: colonic mucus. While several biological processes are thought to potentially regulate the mucus hydrogel structure, the polymeric composition of the gut environment has been ignored. We use Flory-Huggins solution theory to characterize polymer-mucus interactions. We find that gut polymers, including those small enough to penetrate the mucus hydrogel, can in fact alter mucus structure, changing its equilibrium degree of swelling and forcing it to compress. The extent of compression increases with increasing polymer concentration and size. We use experiments on mice to verify these predictions with common dietary and therapeutic gut polymers. Our results provide a foundation for investigating similar, previously overlooked, polymer-induced effects in other biological hydrogels.

Defect-Induced Hedgehog Polarization States in Multiferroics.

PubMed

Li, Linze; Cheng, Xiaoxing; Jokisaari, Jacob R; Gao, Peng; Britson, Jason; Adamo, Carolina; Heikes, Colin; Schlom, Darrell G; Chen, Long-Qing; Pan, Xiaoqing

2018-03-30

Continuous developments in nanotechnology require new approaches to materials synthesis that can produce novel functional structures. Here, we show that nanoscale defects, such as nonstoichiometric nanoregions (NSNRs), can act as nano-building blocks for creating complex electrical polarization structures in the prototypical multiferroic BiFeO_{3}. An array of charged NSNRs are produced in BiFeO_{3} thin films by tuning the substrate temperature during film growth. Atomic-scale scanning transmission electron microscopy imaging reveals exotic polarization rotation patterns around these NSNRs. These polarization patterns resemble hedgehog or vortex topologies and can cause local changes in lattice symmetries leading to mixed-phase structures resembling the morphotropic phase boundary with high piezoelectricity. Phase-field simulations indicate that the observed polarization configurations are mainly induced by charged states at the NSNRs. Engineering defects thus may provide a new route for developing ferroelectric- or multiferroic-based nanodevices.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ailavajhala, Mahesh S.; Mitkova, Maria; Gonzalez-Velo, Yago

We explore the radiation induced effects in thin films from the Ge-Se to Ge-Te systems accompanied with silver radiation induced diffusion within these films, emphasizing two distinctive compositional representatives from both systems containing a high concentration of chalcogen or high concentration of Ge. The studies are conducted on blanket chalcogenide films or on device structures containing also a silver source. Data about the electrical conductivity as a function of the radiation dose were collected and discussed based on material characterization analysis. Raman Spectroscopy, X-ray Diffraction Spectroscopy, and Energy Dispersive X-ray Spectroscopy provided us with data about the structure, structural changesmore » occurring as a result of radiation, molecular formations after Ag diffusion into the chalcogenide films, Ag lateral diffusion as a function of radiation and the level of oxidation of the studied films. Analysis of the electrical testing suggests application possibilities of the studied devices for radiation sensing for various conditions.« less

Desolvation Induced Origami of Photocurable Polymers by Digit Light Processing.

PubMed

Zhao, Zeang; Wu, Jiangtao; Mu, Xiaoming; Chen, Haosen; Qi, H Jerry; Fang, Daining

2017-07-01

Self-folding origami is of great interest in current research on functional materials and structures, but there is still a challenge to develop a simple method to create freestanding, reversible, and complex origami structures. This communication provides a feasible solution to this challenge by developing a method based on the digit light processing technique and desolvation-induced self-folding. In this new method, flat polymer sheets can be cured by a light field from a commercial projector with varying intensity, and the self-folding process is triggered by desolvation in water. Folded origami structures can be recovered once immersed in the swelling medium. The self-folding process is investigated both experimentally and theoretically. Diverse 3D origami shapes are demonstrated. This method can be used for responsive actuators and the fabrication of 3D electronic devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photoisomerization-induced manipulation of single-electron tunneling for novel Si-based optical memory.

PubMed

Hayakawa, Ryoma; Higashiguchi, Kenji; Matsuda, Kenji; Chikyow, Toyohiro; Wakayama, Yutaka

2013-11-13

We demonstrated optical manipulation of single-electron tunneling (SET) by photoisomerization of diarylethene molecules in a metal-insulator-semiconductor (MIS) structure. Stress is placed on the fact that device operation is realized in the practical device configuration of MIS structure and that it is not achieved in structures based on nanogap electrodes and scanning probe techniques. Namely, this is a basic memory device configuration that has the potential for large-scale integration. In our device, the threshold voltage of SET was clearly modulated as a reversible change in the molecular orbital induced by photoisomerization, indicating that diarylethene molecules worked as optically controllable quantum dots. These findings will allow the integration of photonic functionality into current Si-based memory devices, which is a unique feature of organic molecules that is unobtainable with inorganic materials. Our proposed device therefore has enormous potential for providing a breakthrough in Si technology.

Atomic structure and pressure-induced phase transformations in a phase-change alloy

NASA Astrophysics Data System (ADS)

Xu, Ming

Phase-change materials exist in at least two phases under the ambient condition. One is the amorphous state and another is crystalline phase. These two phases have vastly different physical properties, such as electrical conductivity, optical reflectivity, mass density, thermal conductivity, etc. The distinct physical properties and the fast transformation between amorphous and crystalline phases render these materials the ability to store information. For example, the DVD and the Blue-ray discs take advantage of the optical reflectivity contrast, and the newly developed solid-state memories make use of the large conductivity difference. In addition, both the amorphous and crystalline phases in phase-change memories (PCMs) are very stable at room temperature, and they are easy to be scaled up in the production of devices with large storage density. All these features make phase-change materials the ideal candidates for the next-generation memories. Despite of the fast development of these new memory materials in industry, many fundamental physics problems underlying these interesting materials are still not fully resolved. This thesis is aiming at solving some of the key issues in phase-change materials. Most of phase-change materials are composed of Ge-Sb-Te constituents. Among all these Ge-Sb-Te based materials, Ge2Sb2Te5 (GST) has the best performance and has been frequently studied as a prototypical phase-change material. The first and foremost issue is the structure of the two functioning phases. In this thesis, we investigate the unique atomic structure and bonding nature of amorphous GST (a-GST) and crystalline GST ( c-GST), using ab initio tools and X-ray diffraction (XRD) methods. Their local structures and bonding scenarios are then analyzed using electronic structure calculations. In order to gain insight into the fast phase transformation mechanism, we also carried out a series of high-pressure experiments on GST. Several new polymorphs and their transformations have been revealed under high pressure via in situ XRD and in situ electrical resistivity measurements. The mechanisms of the structural and property changes have been uncovered via ab initio molecular dynamics simulations.

Photo-induced spin and valley-dependent Seebeck effect in the low-buckled Dirac materials

NASA Astrophysics Data System (ADS)

Mohammadi, Yawar

2018-04-01

Employing the Landauer-Buttiker formula we investigate the spin and valley dependence of Seebeck effect in low-buckled Dirac materials (LBDMs), whose band structure are modulated by local application of a gate voltage and off-resonant circularly polarized light. We calculate the charge, spin and valley Seebeck coefficients of an irradiated LBDM as functions of electronic doping, light intensity and the amount of the electric field in the linear regime. Our calculation reveal that all Seebeck coefficients always shows an odd features with respect to the chemical potential. Moreover, we show that, due to the strong spin-orbit coupling in the LBDMs, the induced thermovoltage in the irradiated LBDMs is spin polarized, and can also become valley polarized if the gate voltage is applied too. It is also found that the valley (spin) polarization of the induced thermovoltage could be inverted by reversing the circular polarization of light or reversing the direction the electric field (only by reversing the circular polarization of light).

Is a drill-less dental filling possible?

PubMed

Quock, Ryan L; Patel, Shalizeh A; Falcao, Felipe A; Barros, Juliana A

2011-09-01

Dental caries, a bacterial process that results in the acidic destruction of tooth structure, has historically been managed by the mechanical excavation of diseased tooth structure and then restoration with a synthetic material. The mechanical excavation of the infected site is most commonly achieved by a dental handpiece, or "drill"; this handpiece may induce stress and anxiety in many patients. Alternatively, a drill-less filling will involve the utilization of silver diamine fluoride (38%) to arrest and prevent dental caries, followed by restoration with a bonded filling material to achieve adequate seal at the lesion margins. This is a minimally invasive procedure that addresses both microbial and mechanical issues posed by dental caries. Copyright © 2011 Elsevier Ltd. All rights reserved.

Band Gap Tuning in 2D Layered Materials by Angular Rotation.

PubMed

Polanco-Gonzalez, Javier; Carranco-Rodríguez, Jesús Alfredo; Enríquez-Carrejo, José L; Mani-Gonzalez, Pierre G; Domínguez-Esquivel, José Manuel; Ramos, Manuel

2017-02-08

We present a series of computer-assisted high-resolution transmission electron (HRTEM) simulations to determine Moiré patters by induced twisting effects between slabs at rotational angles of 3°, 5°, 8°, and 16°, for molybdenum disulfide, graphene, tungsten disulfide, and tungsten selenide layered materials. In order to investigate the electronic structure, a series of numerical simulations using density functional methods (DFT) methods was completed using Cambridge serial total energy package (CASTEP) with a generalized gradient approximation to determine both the band structure and density of states on honeycomb-like new superlattices. Our results indicated metallic transitions when the rotation approached 8° with respect to each other laminates for most of the two-dimensional systems that were analyzed.

[Microflora of damaged ferroconcrete structures under the conditions of inhibitory protection].

PubMed

Kopteva, Zh P; Zanina, V V; Purish, L M; Piliashenko-Novokhatnyĭ, A I; Kozlova, I A

2004-01-01

Thionic, sulphate-reducing, denitrifying and ammonifying bacteria widely distributed in the sewer system on various structure elements have been isolated from damaged ferroconcrete samples. Effect of protective materials on microbe-induced corrosion of metal famework of concrete samples has been studied. Selective effect of corrosion inhibitors and coatings on the growth of corrosion-active bacteria of sulphur and nitrogen cycle has been revealed. It is shown that acid medium formed by thionic bacteria is more aggressive than ammonium-hydrosulphide one formed by denitrifying and sulphate-reducing bacteria. It has been established that the corrosion inhibitor--pyrquin, organosilicon coating CO-FMI and epoxyorganosilicon coating 4sk are most effective materials as to the action of thionic bacteria--dangerous agents of ferroconcrete aerobic corrosion.

Magnetic field concentration using ferromagnetic material to propel a wireless power transfer based micro-robot

NASA Astrophysics Data System (ADS)

Kim, Dongwook; Park, Bumjin; Park, Jaehyoung; Park, Hyun Ho; Ahn, Seungyoung

2018-05-01

In this paper, we propose a novel coil structure, using a ferromagnetic material which concentrates the magnetic field, as the propulsion system of a wireless power transfer (WPT) based micro-robot. This structure uses an incident magnetic field to induce current during wireless power transfer, to generate a Lorentz force. To prevent net cancelation of the Lorentz force in the load coil, ferrite films were applied to one side of the coil segment. The demonstrated simplicity and effectiveness of the proposed micro-robot showed its suitability for applications. Simulation and experimental results confirmed a velocity of 1.02 mm/s with 6 mW power transfer capacity for the 3 mm sized micro-robot.

Band Gap Tuning in 2D Layered Materials by Angular Rotation

PubMed Central

Polanco-Gonzalez, Javier; Carranco-Rodríguez, Jesús Alfredo; Enríquez-Carrejo, José L.; Mani-Gonzalez, Pierre G.; Domínguez-Esquivel, José Manuel; Ramos, Manuel

2017-01-01

We present a series of computer-assisted high-resolution transmission electron (HRTEM) simulations to determine Moiré patters by induced twisting effects between slabs at rotational angles of 3°, 5°, 8°, and 16°, for molybdenum disulfide, graphene, tungsten disulfide, and tungsten selenide layered materials. In order to investigate the electronic structure, a series of numerical simulations using density functional methods (DFT) methods was completed using Cambridge serial total energy package (CASTEP) with a generalized gradient approximation to determine both the band structure and density of states on honeycomb-like new superlattices. Our results indicated metallic transitions when the rotation approached 8° with respect to each other laminates for most of the two-dimensional systems that were analyzed. PMID:28772507

Radiation-induced disorder in compressed lanthanide zirconates.

PubMed

Park, Sulgiye; Tracy, Cameron L; Zhang, Fuxiang; Park, Changyong; Trautmann, Christina; Tkachev, Sergey N; Lang, Maik; Mao, Wendy L; Ewing, Rodney C

2018-02-28

The effects of swift heavy ion irradiation-induced disordering on the behavior of lanthanide zirconate compounds (Ln 2 Zr 2 O 7 where Ln = Sm, Er, or Nd) at high pressures are investigated. After irradiation with 2.2 GeV 197 Au ions, the initial ordered pyrochlore structure (Fd3[combining macron]m) transformed to a defect-fluorite structure (Fm3[combining macron]m) in Sm 2 Zr 2 O 7 and Nd 2 Zr 2 O 7 . For irradiated Er 2 Zr 2 O 7 , which has a defect-fluorite structure, ion irradiation induces local disordering by introducing Frenkel defects despite retention of the initial structure. When subjected to high pressures (>29 GPa) in the absence of irradiation, all of these compounds transform to a cotunnite-like (Pnma) phase, followed by sluggish amorphization with further compression. However, if these compounds are irradiated prior to compression, the high pressure cotunnite-like phase is not formed. Rather, they transform directly from their post-irradiation defect-fluorite structure to an amorphous structure upon compression (>25 GPa). Defects and disordering induced by swift heavy ion irradiation alter the transformation pathways by raising the energetic barriers for the transformation to the high pressure cotunnite-like phase, rendering it inaccessible. As a result, the high pressure stability field of the amorphous phase is expanded to lower pressures when irradiation is coupled with compression. The responses of materials in the lanthanide zirconate system to irradiation and compression, both individually and in tandem, are strongly influenced by the specific lanthanide composition, which governs the defect energetics at extreme conditions.

Synergistic effects from graphene and carbon nanotubes endow ordered hierarchical structure foams with a combination of compressibility, super-elasticity and stability and potential application as pressure sensors

NASA Astrophysics Data System (ADS)

Kuang, Jun; Dai, Zhaohe; Liu, Luqi; Yang, Zhou; Jin, Ming; Zhang, Zhong

2015-05-01

Nanostructured carbon material based three-dimensional porous architectures have been increasingly developed for various applications, e.g. sensors, elastomer conductors, and energy storage devices. Maintaining architectures with good mechanical performance, including elasticity, load-bearing capacity, fatigue resistance and mechanical stability, is prerequisite for realizing these functions. Though graphene and CNT offer opportunities as nanoscale building blocks, it still remains a great challenge to achieve good mechanical performance in their microarchitectures because of the need to precisely control the structure at different scales. Herein, we fabricate a hierarchical honeycomb-like structured hybrid foam based on both graphene and CNT. The resulting materials possess excellent properties of combined high specific strength, elasticity and mechanical stability, which cannot be achieved in neat CNT and graphene foams. The improved mechanical properties are attributed to the synergistic-effect-induced highly organized, multi-scaled hierarchical architectures. Moreover, with their excellent electrical conductivity, we demonstrated that the hybrid foams could be used as pressure sensors in the fields related to artificial skin.Nanostructured carbon material based three-dimensional porous architectures have been increasingly developed for various applications, e.g. sensors, elastomer conductors, and energy storage devices. Maintaining architectures with good mechanical performance, including elasticity, load-bearing capacity, fatigue resistance and mechanical stability, is prerequisite for realizing these functions. Though graphene and CNT offer opportunities as nanoscale building blocks, it still remains a great challenge to achieve good mechanical performance in their microarchitectures because of the need to precisely control the structure at different scales. Herein, we fabricate a hierarchical honeycomb-like structured hybrid foam based on both graphene and CNT. The resulting materials possess excellent properties of combined high specific strength, elasticity and mechanical stability, which cannot be achieved in neat CNT and graphene foams. The improved mechanical properties are attributed to the synergistic-effect-induced highly organized, multi-scaled hierarchical architectures. Moreover, with their excellent electrical conductivity, we demonstrated that the hybrid foams could be used as pressure sensors in the fields related to artificial skin. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr00841g

Nanotwinned and hierarchical nanotwinned metals: a review of experimental, computational and theoretical efforts

NASA Astrophysics Data System (ADS)

Sun, Ligang; He, Xiaoqiao; Lu, Jian

2018-02-01

The recent studies on nanotwinned (NT) and hierarchical nanotwinned (HNT) face-centered cubic (FCC) metals are presented in this review. The HNT structures have been supposed as a kind of novel structure to bring about higher strength/ductility than NT counterparts in crystalline materials. We primarily focus on the recent developments of the experimental, atomistic and theoretical studies on the NT and HNT structures in the metallic materials. Some advanced bottom-up and top-down techniques for the fabrication of NT and HNT structures are introduced. The deformation induced HNT structures are available by virtue of severe plastic deformation (SPD) based techniques while the synthesis of growth HNT structures is so far almost unavailable. In addition, some representative molecular dynamics (MD) studies on the NT and HNT FCC metals unveil that the nanoscale effects such as twin spacing, grain size and plastic anisotropy greatly alter the performance of NT and HNT metals. The HNT structures may initiate unique phenomena in comparison with the NT ones. Furthermore, based on the phenomena and mechanisms revealed by experimental and MD simulation observations, a series of theoretical models have been proposed. They are effective to describe the mechanical behaviors of NT and HNT metals within the applicable scope. So far the development of manufacturing technologies of HNT structures, as well as the studies on the effects of HNT structures on the properties of metals are still in its infancy. Further exploration is required to promote the design of advanced materials.

Vibrational energy transfer from photoexcited carbon nanotubes to proteins observed by coherent phonon spectroscopy

NASA Astrophysics Data System (ADS)

Nakayama, Tomohito; Yoshizawa, Shunsuke; Hirano, Atsushi; Tanaka, Takeshi; Shiraki, Kentaro; Hase, Muneaki

2017-12-01

Vibrational energy transfer from photoexcited single-wall carbon nanotubes (SWCNTs) to coupled proteins is a key to engineering thermally induced biological reactions, for example, in photothermal therapy. Here, we explored vibrational energy transfer from photoexcited SWCNTs to different adsorbed biological materials by means of a femtosecond pump-probe technique. We show that the vibrational relaxation time of the radial breathing modes in SWCNTs depends significantly on the structure of the coupled materials, that is, proteins or biopolymers, indicating that the vibrational energy transfer is governed by overlapping of the phonon densities of states of the SWCNTs and coupled materials.

Fragmentation studies of fulvic acids using collision induced dissociation fourier transform ion cyclotron resonance mass spectrometry.

PubMed

Witt, Matthias; Fuchser, Jens; Koch, Boris P

2009-04-01

The complex natural organic matter standard Suwannee river fulvic acid (SRFA) was analyzed by negative ion mode electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FTICR MS) using on-resonance collision induced dissociation (CID) of single ultrahigh resolved mass peaks in the ICR cell. Molecular formula assignment of precursor masses resulted in exactly one molecular formula for each of the peaks. Analyses of the corresponding fragment spectra and comparison to different standard substances revealed specific neutral losses and fragmentation patterns which result in structures consisting of a high degree of carboxyl- and fewer hydroxyl groups. The comparison of fragmented mass peaks within different pseudohomologous series (CH(2)-series, and CH(4) vs O exchange) suggested structurally based differences between these series. CID FTICR MS allowed isolating single mass peaks in a very complex natural organic matter spectrum. Subsequently, fragmentation gave structural insights into this material. Our results suggest that the structural diversity in complex humic substances is not as high as expected.

Lead-free Bi(Mg0.5Ti0.5)O3-modified 0.875Bi0.5Na0.5TiO3-0.125BaTiO3 ferroelectric ceramics with tetragonal structure and large field-induced strains

NASA Astrophysics Data System (ADS)

Li, Ling; Zhu, Mankang; Ren, Xiaowei; Wei, Qiumei; Zheng, Mupeng; Hou, Yudong

2017-12-01

A electrostrictive ceramics were designed by introducing Bi(Mg0.5Ti0.5)O3 into 0.875Bi0.5Na0.5TiO3-0.125BaTiO3 with tetragonal structure. All the specimens prepared by a conventional solid sintering technique exhibit the excellent sintering ability with a high relative density over 97%. It is found that, as BMT added, the specimens undergo a structure crossover from ferroelectric P4mm to ergodic P4bm, and the coexistence of both tetragonal structures takes bridge between them. A large field-induced strain of 0.30% and field-independent strain coefficient of 0.0254 m4/C2 occur at 4 mol.% BMT added. This material with excellent sinterability is suitable for the application in actuators and microposition controllers.

Flow interaction with a flexible viscoelastic sheet

NASA Astrophysics Data System (ADS)

Shoele, Kourosh

2017-11-01

Many new engineered materials and almost all soft biological tissues are made up of heterogeneous multi-scale components with complex viscoelastic behavior. This implies that their macro constitutive relations cannot be modeled sufficiently with a typical integer-order viscoelastic relation and a more general mode is required. Here, we study the flow-induced vibration of a viscoelastic sheet where a generalized fractional constitutive model is employed to represent the relation between the bending stress and the temporal response of the structure. A new method is proposed for the calculation of the convolution integral inside the fractal model and its computational benefits will be discussed. Using a coupled fluid-structure interaction (FSI) methodology based on the immersed boundary technique, dynamic fluttering modes of the structure as a result of the fluid force will be presented and the role of fractal viscoelasticity on the dynamic of the structure will be shown. Finally, it will be argued how the stress relaxation modifies the flow-induced oscillatory responses of this benchmark problem.

Toughening mystery of natural rubber deciphered by double network incorporating hierarchical structures

PubMed Central

Zhou, Weiming; Li, Xiangyang; Lu, Jie; Huang, Ningdong; Chen, Liang; Qi, Zeming; Li, Liangbin; Liang, Haiyi

2014-01-01

As an indispensible material for modern society, natural rubber possesses peerless mechanical properties such as strength and toughness over its artificial analogues, which remains a mystery. Intensive experimental and theoretical investigations have revealed the self-enhancement of natural rubber due to strain-induced crystallization. However a rigorous model on the self-enhancement, elucidating natural rubber's extraordinary mechanical properties, is obscured by deficient understanding of the local hierarchical structure under strain. With spatially resolved synchrotron radiation micro-beam scanning X-ray diffraction we discover weak oscillation in distributions of strain-induced crystallinity around crack tip for stretched natural rubber film, demonstrating a soft-hard double network structure. The fracture energy enhancement factor obtained by utilizing the double network model indicates an enhancement of toughness by 3 orders. It's proposed that upon stretching spontaneously developed double network structures integrating hierarchy at multi length-scale in natural rubber play an essential role in its remarkable mechanical performance. PMID:25511479

Light control of orbital domains: case of the prototypical manganite La0.5Sr1.5MnO4

NASA Astrophysics Data System (ADS)

Miller, Timothy; Gensch, Michael; Wall, Simon

2016-12-01

Control of electronic and structural ordering in correlated materials on the ultrafast timescale with light is a new and emerging approach to disentangle the complex interplay of the charge, spin, orbital and structural degree of freedom. In this paper we present an overview of how orbital order and orbital domains can be controlled by near IR and THz radiation in the layered manganite La0.5Sr1.5MnO4. We show how near-IR pumping can efficiently and rapidly melt orbital ordering. However, the nanoscale domain structure recovers unchanged demonstrating the importance of structural defects for the orbital domain formation. On the contrary, we show that pulsed THz fields can be used to effectively orientate the domains. In this case the alignment depends on the in-plane electric field polarisation and is induced by an energy penalty that arises from THz field induced hopping of the localised charges.

Chromatographic matrix based on hydrogel-coated reticulated polyurethane foams, prepared by gamma irradiation

NASA Astrophysics Data System (ADS)

Sánchez, Mirna L.; Giménez, Claudia Y.; Delgado, Juan F.; Martínez, Leandro J.; Grasselli, Mariano

2017-12-01

Novel chromatographic materials for protein purification with high adsorption capacity and fouling resistance are highly demanded to improve downstream processes. Here, we describe a novel adsorptive material based on reticulated polyurethane foam (rPUF) coated with a functional hydrogel layer. rPUF provides physical rigidity through its macroscopic structure, whereas the hydrogel layer provides capacity to adsorb proteins by specific interactions. The hydrogel coating process was performed by the dip-coating method, using a polyvinyl alcohol (PVA) solution. The PVA hydrogel was linked to the rPUF material by using a radiation-induced crosslinking process in aqueous ethanol solution. The ethanol in the solvent mixture allowed a balance between PVA swelling and PVA dissolution during the irradiation step. The resulting material showed higher thermal stability than the non-irradiated one. In addition, a simultaneous radiation-induced grafting polymerization (SRIGP) was done by simple addition of glycidyl methacrylate monomer into the irradiation solution. In a further step, sulfonic ligands were included specifically in the hydrogel layer, which contained around 200% of PVA respect to the original rPUF. Materials were characterized by FT-IR, thermogravimetric analysis, SEM microscopy and EDX analysis. The cation-exchange rPUF material was functionally characterized by the Langmuir isotherm and a dynamic adsorption experiment to analyze the chromatographic properties for protein purification processes.

Large and stable reversible lithium-ion storages from mesoporous SnO2 nanosheets with ultralong lifespan over 1000 cycles

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Jiang, Bin; Guo, Jinxue; Xie, Yaping; Tang, Lin

2014-12-01

The major challenge to promote the commercialization of SnO2 anode materials is to construct unique structures and/or composites that could alleviate the volume effect and extend the lifespan. This study develops an efficient synthetic solution for the preparation of mesoporous SnO2 nanosheets, which involves an evaporation-induced selfassembly process and the following thermal treatment. Surfactant F127 is used as the soft template to form abundant cores. The as-prepared sample intrinsically inherits flexible sheet-like structure and porous features, as characterized with XRD, SEM, TEM and BET techniques. Based on these combining structural benefits, the sample is utilized as anode materials for lithium-ion batteries and exhibits excellent Li+ storage performance such as large and stable reversible capacity, good rate capability, and especially the outstanding durable cycling life of over 1000 cycles, which meets the demands of practical applications. The structural changes of SnO2 nanosheets are observed from the decomposed electrodes after different electrochemical cycles. Moreover, this synthesis strategy may offer an alternative and universal approach for synthesis of other transitional metal oxides or their binary composites as high-performance anode materials for lithium-ion batteries.

A Study on the Mechanical Properties and Impact-Induced Initiation Characteristics of Brittle PTFE/Al/W Reactive Materials.

PubMed

Ge, Chao; Maimaitituersun, Wubuliaisan; Dong, Yongxiang; Tian, Chao

2017-04-26

Polytetrafluoroethylene/aluminum/tungsten (PTFE/Al/W) reactive materials of three different component mass ratios (73.5/26.5/0, 68.8/24.2/7 and 63.6/22.4/14) were studied in this research. Different from the PTFE/Al/W composites published elsewhere, the materials in our research were fabricated under a much lower sintering temperature and for a much shorter duration to achieve a brittle property, which aims to provide more sufficient energy release upon impact. Quasi-static compression tests, dynamic compression tests at room and elevated temperatures, and drop weight tests were conducted to evaluate the mechanical and impact-induced initiation characteristics of the materials. The materials before and after compression tests were observed by a scanning electron microscope to relate the mesoscale structural characteristics to their macro properties. All the three types of materials fail at very low strains during both quasi-static and dynamic compression. The stress-strain curves for quasi-static tests show obvious deviations while that for the dynamic tests consist of only linear-elastic and failure stages typically. The materials were also found to exhibit thermal softening at elevated temperatures and were strain-rate sensitive during dynamic tests, which were compared using dynamic increase factors (DIFs). Drop-weight test results show that the impact-initiation sensitivity increases with the increase of W content due to the brittle mechanical property. The high-speed video sequences and recovered sample residues of the drop-weight tests show that the reaction is initiated at two opposite positions near the edges of the samples, where the shear force concentrates the most intensively, indicating a shear-induced initiation mechanism.

A Study on the Mechanical Properties and Impact-Induced Initiation Characteristics of Brittle PTFE/Al/W Reactive Materials

PubMed Central

Ge, Chao; Maimaitituersun, Wubuliaisan; Dong, Yongxiang; Tian, Chao

2017-01-01

Polytetrafluoroethylene/aluminum/tungsten (PTFE/Al/W) reactive materials of three different component mass ratios (73.5/26.5/0, 68.8/24.2/7 and 63.6/22.4/14) were studied in this research. Different from the PTFE/Al/W composites published elsewhere, the materials in our research were fabricated under a much lower sintering temperature and for a much shorter duration to achieve a brittle property, which aims to provide more sufficient energy release upon impact. Quasi-static compression tests, dynamic compression tests at room and elevated temperatures, and drop weight tests were conducted to evaluate the mechanical and impact-induced initiation characteristics of the materials. The materials before and after compression tests were observed by a scanning electron microscope to relate the mesoscale structural characteristics to their macro properties. All the three types of materials fail at very low strains during both quasi-static and dynamic compression. The stress-strain curves for quasi-static tests show obvious deviations while that for the dynamic tests consist of only linear-elastic and failure stages typically. The materials were also found to exhibit thermal softening at elevated temperatures and were strain-rate sensitive during dynamic tests, which were compared using dynamic increase factors (DIFs). Drop-weight test results show that the impact-initiation sensitivity increases with the increase of W content due to the brittle mechanical property. The high-speed video sequences and recovered sample residues of the drop-weight tests show that the reaction is initiated at two opposite positions near the edges of the samples, where the shear force concentrates the most intensively, indicating a shear-induced initiation mechanism. PMID:28772812

Large field-induced strains in a lead-free piezoelectric material.

PubMed

Zhang, J X; Xiang, B; He, Q; Seidel, J; Zeches, R J; Yu, P; Yang, S Y; Wang, C H; Chu, Y-H; Martin, L W; Minor, A M; Ramesh, R

2011-02-01

Piezoelectric materials exhibit a mechanical response to electrical inputs, as well as an electrical response to mechanical inputs, which makes them useful in sensors and actuators. Lead-based piezoelectrics demonstrate a large mechanical response, but they also pose a health risk. The ferroelectric BiFeO(3) is an attractive alternative because it is lead-free, and because strain can stabilize BiFeO(3) phases with a structure that resembles a morphotropic phase boundary. Here we report a reversible electric-field-induced strain of over 5% in BiFeO(3) films, together with a characterization of the origins of this effect. In situ transmission electron microscopy coupled with nanoscale electrical and mechanical probing shows that large strains result from moving the boundaries between tetragonal- and rhombohedral-like phases, which changes the phase stability of the mixture. These results demonstrate the potential of BiFeO(3) as a substitute for lead-based materials in future piezoelectric applications.

Pressure-induced structural phase transformation and superconducting properties of titanium mononitride

NASA Astrophysics Data System (ADS)

Li, Qian; Guo, Yanan; Zhang, Miao; Ge, Xinlei

2018-03-01

In this work, we have systematically performed the first-principles structure search on titanium mononitride (TiN) within Crystal Structure AnaLYsis by Particle Swarm Optimization (CALYPSO) methodology at high pressures. Here, we have confirmed a phase transition from cubic rock-salt (fcc) phase to CsCl (bcc) phase of TiN at ∼348 GPa. Further simulations reveal that the bcc phase is dynamically stable, and could be synthesized experimentally in principle. The calculated elastic anisotropy decreases with the phase transformation from fcc to bcc structure under high pressures, and the material changes from ductile to brittle simultaneously. Moreover, we found that both structures are superconductive with the superconducting critical temperature of 2-12 K.

Effect of small perturbations on the evolution of polycrystalline structure during plastic deformation

NASA Astrophysics Data System (ADS)

Korznikova, E. A.; Baimova, Yu. A.; Kistanov, A. A.; Dmitriev, S. V.; Korznikov, A. V.

2014-09-01

The method of molecular dynamics has been used to study the influence of initial perturbations on the evolution of grain boundaries during the shear plastic deformation of a two-dimensional polycrystalline material with nanoscale grains. It has been shown that short-term thermalization-induced small perturbations result in noticeable differences in grain boundaries configurations at the deformation of 0.05 and the polycrystal completely loses its initial grain boundary structure at the deformation of 0.4.

On-chip tunable dispersion in a ring laser gyroscope for enhanced rotation sensing

NASA Astrophysics Data System (ADS)

Zhang, Hao; Liu, Jiaming; Lin, Jian; Li, Wenxiu; Xue, Xia; Huang, Anping; Xiao, Zhisong

2016-05-01

A gyroscope structure with tailored local dispersion profile to enhance sensitivity is proposed, which uses lithium niobate (LiNbO3) thin film as the on-chip material of gyroscope's resonator. A Mach-Zehnder interferometer (MZI) structure as a coupler, which induces a different reference phase shift in each arm, is inserted into the position between ring resonator and output bus waveguide. Through modulating reference phase shift in MZI, theoretical rotation sensitivity enhancement as large as one order of magnitude is presented.

Optimization of Strontium Titanate (SrTiO3) Thin Films Fabricated by Metal Organic Chemical Vapor Deposition (MOCVD) for Microwave-Tunable Devices

DTIC Science & Technology

2015-12-01

induced (non)stoichiometry on the structure, dielectric response, and thermal conductivity of SrTiO3 thin films. Chemistry of Materials. 2012;24:331...must be below a few percent. The external sources of loss, such as conductor interface losses and various losses that inevitably arise from device...epitaxy • Excellent control of film stoichiometry and thickness • Large area uniformity and potential for complex structure coating • Optimized

Detecting defects in marine structures by using eddy current infrared thermography.

PubMed

Swiderski, W

2016-12-01

Eddy current infrared (IR) thermography is a new nondestructive testing (NDT) technique used for the detection of cracks in electroconductive materials. By combining the well-established inspection methods of eddy current NDT and IR thermography, this technique uses induced eddy currents to heat test samples. In this way, IR thermography allows the visualization of eddy current distribution that is distorted in defect sites. This paper discusses the results of numerical modeling of eddy current IR thermography procedures in application to marine structures.

Hierarchical photonic structured stimuli-responsive materials as high-performance colorimetric sensors

NASA Astrophysics Data System (ADS)

Lu, Tao; Zhu, Shenmin; Chen, Zhixin; Wang, Wanlin; Zhang, Wang; Zhang, Di

2016-05-01

Hierarchical photonic structures in nature are of special interest because they can be used as templates for fabrication of stimuli-responsive photonic crystals (PCs) with unique structures beyond man-made synthesis. The current stimuli-responsive PCs templated directly from natural PCs showed a very weak external stimuli response and poor durability due to the limitations of natural templates. Herein, we tackle this problem by chemically coating functional polymers, polyacrylamide, on butterfly wing scales which have hierarchical photonic structures. As a result of the combination of the strong water absorption properties of the polyacrylamide and the PC structures of the butterfly wing scales, the designed materials demonstrated excellent humidity responsive properties and a tremendous colour change. The colour change is induced by the refractive index change which is in turn due to the swollen nature of the polymer when the relative humidity changes. The butterfly wing scales also showed an excellent durability which is due to the chemical bonds formed between the polymer and wing scales. The synthesis strategy provides an avenue for the promising applications of stimuli-responsive PCs with hierarchical structures.Hierarchical photonic structures in nature are of special interest because they can be used as templates for fabrication of stimuli-responsive photonic crystals (PCs) with unique structures beyond man-made synthesis. The current stimuli-responsive PCs templated directly from natural PCs showed a very weak external stimuli response and poor durability due to the limitations of natural templates. Herein, we tackle this problem by chemically coating functional polymers, polyacrylamide, on butterfly wing scales which have hierarchical photonic structures. As a result of the combination of the strong water absorption properties of the polyacrylamide and the PC structures of the butterfly wing scales, the designed materials demonstrated excellent humidity responsive properties and a tremendous colour change. The colour change is induced by the refractive index change which is in turn due to the swollen nature of the polymer when the relative humidity changes. The butterfly wing scales also showed an excellent durability which is due to the chemical bonds formed between the polymer and wing scales. The synthesis strategy provides an avenue for the promising applications of stimuli-responsive PCs with hierarchical structures. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01875k

Mathematical modeling of vortex induced vibrations of an elastic rod under air flow influence

NASA Astrophysics Data System (ADS)

Pogudalina, S. V.; Fedorova, N. N.

2018-03-01

The results of simulations of the oscillations of an elastic rod placed normally to the external air flow and rigidly fixed on a substrate are presented. The computations were carried out in ANSYS using the technology of two-way fluid-structure interaction (2FSI). Calculations of the problem were performed for various flow velocities, geometric parameters and properties of the rod material. The frequencies, amplitudes and shapes of vortex induced vibration were studied including those that are close to the lock-in mode.

Development of Active Microwave Thermography for Structural Health Monitoring

NASA Astrophysics Data System (ADS)

Foudazi, Ali

Active Microwave Thermography (AMT) is an integrated nondestructive testing and evaluation (NDT&E) method that incorporates aspects of microwave NDT and thermography techniques. AMT uses a microwave excitation to generate heat and the surface thermal profile of the material or structure under test is subsequently measured using a thermal camera (or IR camera). Utilizing a microwave heat excitation provides advantages over traditional thermal excitations (heat lamps, etc.) including the potential for non-contact, selective and focused heating. During an AMT inspection, two heating mechanisms are possible, referred to as dielectric and induction heating. Dielectric heating occurs as a result of the interaction of microwave energy with lossy dielectric materials which results in dissipated microwave energy and a subsequent increase in temperature. Induction heating is a result of induced surface current on conductive materials with finite conductivity under microwave illumination and subsequently ohmic loss. Due to the unique properties of microwave signals including frequency of operation, power level, and polarization, as well as their interaction with different materials, AMT has strong potential for application in various industries including infrastructure, transportation, aerospace, etc. As such, this Dissertation explores the application of AMT to NDT&E needs in these important industries, including detection and evaluation of defects in single- or multi-layered fiber-reinforced polymer-strengthened cement-based materials, evaluation of steel fiber percentage and distributions in steel fiber reinforced structures, characterization of corrosion ratio on corroded reinforcing steel bars (rebar), and evaluation of covered surface cracks orientation and size in metal structures.

Preliminary safety evaluation of an aircraft impact on a near-surface radioactive waste repository

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lo Frano, R.; Forasassi, G.; Pugliese, G.

2013-07-01

The aircraft impact accident has become very significant in the design of a nuclear facilities, particularly, after the tragic September 2001 event, that raised the public concern about the potential damaging effects that the impact of a large civilian airplane could bring in safety relevant structures. The aim of this study is therefore to preliminarily evaluate the global response and the structural effects induced by the impact of a military or commercial airplane (actually considered as a 'beyond design basis' event) into a near surface radioactive waste (RWs) disposal facility. The safety evaluation was carried out according to the Internationalmore » safety and design guidelines and in agreement with the stress tests requirements for the security track. To achieve the purpose, a lay out and a scheme of a possible near surface repository, like for example those of the El Cabril one, were taken into account. In order to preliminarily perform a reliable analysis of such a large-scale structure and to determine the structural effects induced by such a types of impulsive loads, a realistic, but still operable, numerical model with suitable materials characteristics was implemented by means of FEM codes. In the carried out structural analyses, the RWs repository was considered a 'robust' target, due to its thicker walls and main constitutive materials (steel and reinforced concrete). In addition to adequately represent the dynamic response of repository under crashing, relevant physical phenomena (i.e. penetration, spalling, etc.) were simulated and analysed. The preliminary assessment of the effects induced by the dynamic/impulsive loads allowed generally to verify the residual strength capability of the repository considered. The obtained preliminary results highlighted a remarkable potential to withstand the impact of military/large commercial aircraft, even in presence of ongoing concrete progressive failure (some penetration and spalling of the concrete wall) of the impacted area. (authors)« less

Real space mapping of ionic diffusion and electrochemical activity in energy storage and conversion materials

DOEpatents

Kalinin, Sergei V; Balke, Nina; Kumar, Amit; Dudney, Nancy J; Jesse, Stephen

2014-05-06

A method and system for probing mobile ion diffusivity and electrochemical reactivity on a nanometer length scale of a free electrochemically active surface includes a control module that biases the surface of the material. An electrical excitation signal is applied to the material and induces the movement of mobile ions. An SPM probe in contact with the surface of the material detects the displacement of mobile ions at the surface of the material. A detector measures an electromechanical strain response at the surface of the material based on the movement and reactions of the mobile ions. The use of an SPM tip to detect local deformations allows highly reproducible measurements in an ambient environment without visible changes in surface structure. The measurements illustrate effective spatial resolution comparable with defect spacing and well below characteristic grain sizes of the material.

The investigation on the structure, fabrication and applications of graphene

NASA Astrophysics Data System (ADS)

Du, Donghe

By investigating the structure of graphene oxide (GO), the long-wavelength photoluminescence of GO is evidenced to be originated from the excimer formation between GO basal plane and oxidative debris (ODs) attached on the GO sheets. The thermally unstable ODs would induce micro-explosion of GO upon heating. A novel method is developed to supress the explosion and achieve simultaneous thermal reduction and nitrogen doping of graphene oxide in air. The high quality N-doped graphene demonstrate excellent electrocatalytic property in oxygen reduction reaction. Furthermore, an electronic textile material is fabricated by coating chemically reduced GO on a piece of non-woven fabric (GNWF). GNWF can be applied as wearable sensors to detect physiological signals of human body. This research work deepens the understanding on the structure and property of graphene based materials and provides a cost-effective fabrication method for large scale production of graphene, and hence facilitates the commercialization of graphene.

Spintronics Based on Topological Insulators

NASA Astrophysics Data System (ADS)

Fan, Yabin; Wang, Kang L.

2016-10-01

Spintronics using topological insulators (TIs) as strong spin-orbit coupling (SOC) materials have emerged and shown rapid progress in the past few years. Different from traditional heavy metals, TIs exhibit very strong SOC and nontrivial topological surface states that originate in the bulk band topology order, which can provide very efficient means to manipulate adjacent magnetic materials when passing a charge current through them. In this paper, we review the recent progress in the TI-based magnetic spintronics research field. In particular, we focus on the spin-orbit torque (SOT)-induced magnetization switching in the magnetic TI structures, spin-torque ferromagnetic resonance (ST-FMR) measurements in the TI/ferromagnet structures, spin pumping and spin injection effects in the TI/magnet structures, as well as the electrical detection of the surface spin-polarized current in TIs. Finally, we discuss the challenges and opportunities in the TI-based spintronics field and its potential applications in ultralow power dissipation spintronic memory and logic devices.

Biocatalytic induction of supramolecular order

NASA Astrophysics Data System (ADS)

Hirst, Andrew R.; Roy, Sangita; Arora, Meenakshi; Das, Apurba K.; Hodson, Nigel; Murray, Paul; Marshall, Stephen; Javid, Nadeem; Sefcik, Jan; Boekhoven, Job; van Esch, Jan H.; Santabarbara, Stefano; Hunt, Neil T.; Ulijn, Rein V.

2010-12-01

Supramolecular gels, which demonstrate tunable functionalities, have attracted much interest in a range of areas, including healthcare, environmental protection and energy-related technologies. Preparing these materials in a reliable manner is challenging, with an increased level of kinetic defects observed at higher self-assembly rates. Here, by combining biocatalysis and molecular self-assembly, we have shown the ability to more quickly access higher-ordered structures. By simply increasing enzyme concentration, supramolecular order expressed at molecular, nano- and micro-levels is dramatically enhanced, and, importantly, the gelator concentrations remain identical. Amphiphile molecules were prepared by attaching an aromatic moiety to a dipeptide backbone capped with a methyl ester. Their self-assembly was induced by an enzyme that hydrolysed the ester. Different enzyme concentrations altered the catalytic activity and size of the enzyme clusters, affecting their mobility. This allowed structurally diverse materials that represent local minima in the free energy landscape to be accessed based on a single gelator structure.

Spin texture of the surface state of three-dimensional Dirac material Ca3PbO

NASA Astrophysics Data System (ADS)

Kariyado, Toshikaze

2015-04-01

The bulk and surface electronic structures of a candidate three-dimensional Dirac material Ca3PbO and its family are discussed especially focusing on the spin texture on the surface states. We first explain the basic features of the bulk band structure of Ca3PbO, such as emergence of Dirac fermions near the Fermi energy, and compare it with the other known three-dimensional Dirac semimetals. Then, the surface bands and spin-texture on them are investigated in detail. It is shown that the surface bands exhibit strong momentum-spin locking, which may be useful in some application for spin manipulation, induced by a combination of the inversion symmetry breaking at the surface and the strong spin-orbit coupling of Pb atoms. The surface band structure and the spin-textures are sensitive to the surface types.

Structural Transformation of Li-Excess Cathode Materials via Facile Preparation and Assembly of Sonication-Induced Colloidal Nanocrystals for Enhanced Lithium Storage Performance.

PubMed

Zhao, Jianqing; Huang, Ruiming; Ramos, Pablo; Yue, Yiying; Wu, Qinglin; Pavanello, Michele; Zhou, Jieyu; Kuai, Xiaoxiao; Gao, Lijun; He, Huixin; Wang, Ying

2017-09-13

A surfactant-free sonication-induced route is developed to facilely prepare colloidal nanocrystals of Li-excess layered Li 1.2 Mn 0.54 Ni 0.13 Co 0.13 O 2 (marked as LMNCO) material. The sonication process plays a critical role in forming LMNCO nanocrystals in ethanol (ethanol molecules marked as EtOHs) and inducing the interaction between LMNCO and solvent molecules. The formation mechanism of LMNCO-EtOH supramolecules in the colloidal dispersion system is proposed and examined by the theoretical simulation and light scattering technique. It is suggested that the as-formed supramolecule is composed of numerous ethanol molecules capping the surface of the LMNCO nanocrystal core via hydrogen bonding. Such chemisorption gives rise to dielectric polarization of the absorbed ethanol molecules, resulting in a negative surface charge of LMNCO colloids. The self-assembly behaviors of colloidal LMNCO nanocrystals are then tentatively investigated by tuning the solvent evaporation condition, which results in diverse superstructures of LMNCO materials after the evaporation of ethanol. The reassembled LMNCO architectures exhibit remarkably improved capacity and cyclability in comparison with the original LMNCO particles, demonstrating a very promising cathode material for high-energy lithium-ion batteries. This work thus provides new insights into the formation and self-assembly of multiple-element complex inorganic colloids in common and surfactant-free solvents for enhanced performance in device applications.

Investigation of graphene-based nanoscale radiation sensitive materials

NASA Astrophysics Data System (ADS)

Robinson, Joshua A.; Wetherington, Maxwell; Hughes, Zachary; LaBella, Michael, III; Bresnehan, Michael

2012-06-01

Current state-of-the-art nanotechnology offers multiple benefits for radiation sensing applications. These include the ability to incorporate nano-sized radiation indicators into widely used materials such as paint, corrosion-resistant coatings, and ceramics to create nano-composite materials that can be widely used in everyday life. Additionally, nanotechnology may lead to the development of ultra-low power, flexible detection systems that can be embedded in clothing or other systems. Graphene, a single layer of graphite, exhibits exceptional electronic and structural properties, and is being investigated for high-frequency devices and sensors. Previous work indicates that graphene-oxide (GO) - a derivative of graphene - exhibits luminescent properties that can be tailored based on chemistry; however, exploration of graphene-oxide's ability to provide a sufficient change in luminescent properties when exposed to gamma or neutron radiation has not been carried out. We investigate the mechanisms of radiation-induced chemical modifications and radiation damage induced shifts in luminescence in graphene-oxide materials to provide a fundamental foundation for further development of radiation sensitive detection architectures. Additionally, we investigate the integration of hexagonal boron nitride (hBN) with graphene-based devices to evaluate radiation induced conductivity in nanoscale devices. Importantly, we demonstrate the sensitivity of graphene transport properties to the presence of alpha particles, and discuss the successful integration of hBN with large area graphene electrodes as a means to provide the foundation for large-area nanoscale radiation sensors.

Thermal insulation attaching means. [adhesive bonding of felt vibration insulators under ceramic tiles

NASA Technical Reports Server (NTRS)

Leger, L. J. (Inventor)

1978-01-01

An improved isolation system is provided for attaching ceramic tiles of insulating material to the surface of a structure to be protected against extreme temperatures of the nature expected to be encountered by the space shuttle orbiter. This system isolates the fragile ceramic tiles from thermally and mechanically induced vehicle structural strains. The insulating tiles are affixed to a felt isolation pad formed of closely arranged and randomly oriented fibers by means of a flexible adhesive and in turn the felt pad is affixed to the metallic vehicle structure by an additional layer of flexible adhesive.

Detection of shielded nuclear material in a cargo container

NASA Astrophysics Data System (ADS)

Jones, James L.; Norman, Daren R.; Haskell, Kevin J.; Sterbentz, James W.; Yoon, Woo Y.; Watson, Scott M.; Johnson, James T.; Zabriskie, John M.; Bennett, Brion D.; Watson, Richard W.; Moss, Cavin E.; Frank Harmon, J.

2006-06-01

The Idaho National Laboratory, along with Los Alamos National Laboratory and the Idaho State University's Idaho Accelerator Center, are developing electron accelerator-based, photonuclear inspection technologies for the detection of shielded nuclear material within air-, rail-, and especially, maritime-cargo transportation containers. This paper describes a developing prototypical cargo container inspection system utilizing the Pulsed Photonuclear Assessment (PPA) technology, incorporates interchangeable, well-defined, contraband shielding structures (i.e., "calibration" pallets) providing realistic detection data for induced radiation signatures from smuggled nuclear material, and provides various shielded nuclear material detection results. Using a 4.8-kg quantity of depleted uranium, neutron and gamma-ray detection responses are presented for well-defined shielded and unshielded configurations evaluated in a selected cargo container inspection configuration.

Low damage electrical modification of 4H-SiC via ultrafast laser irradiation

NASA Astrophysics Data System (ADS)

Ahn, Minhyung; Cahyadi, Rico; Wendorf, Joseph; Bowen, Willie; Torralva, Ben; Yalisove, Steven; Phillips, Jamie

2018-04-01

The electrical properties of 4H-SiC under ultrafast laser irradiation in the low fluence regime (<0.50 J/cm2) are presented. The appearance of high spatial frequency laser induced periodic surface structures is observed at a fluence near 0.25 J/cm2 and above, with variability in environments like in air, nitrogen, and a vacuum. In addition to the formation of periodic surface structures, ultrafast laser irradiation results in possible surface oxidation and amorphization of the material. Lateral conductance exhibits orders of magnitude increase, which is attributed to either surface conduction or modification of electrical contact properties, depending on the initial material conductivity. Schottky barrier formation on ultrafast laser irradiated 4H-SiC shows an increase in the barrier height, an increase in the ideality factor, and sub-bandgap photovoltaic responses, suggesting the formation of photo-active point defects. The results suggest that the ultrafast laser irradiation technique provides a means of engineering spatially localized structural and electronic modification of wide bandgap materials such as 4H-SiC with relatively low surface damage via low temperature processing.

Understanding local degradation of cycled Ni-rich cathode materials at high operating temperature for Li-ion batteries

NASA Astrophysics Data System (ADS)

Hwang, Sooyeon; Kim, Dong Hyun; Chung, Kyung Yoon; Chang, Wonyoung

2014-09-01

We utilize transmission electron microscopy in conjunction with electron energy loss spectroscopy to investigate local degradation that occurs in LixNi0.8Co0.15Al0.05O2 cathode materials (NCA) after 30 cycles with cutoff voltages of 4.3 V and 4.8 V at 55 °C. NCA has a homogeneous crystallographic structure before electrochemical reactions; however, we observed that 30 cycles of charge/discharge reactions induced inhomogeneity in the crystallographic and electronic structures and also introduced porosity particularly at surface area. These changes were more noticeable in samples cycled with higher cutoff voltage of 4.8 V. Effect of operating temperature was further examined by comparing electronic structures of oxygen of the NCA particles cycled at both room temperature and 55 °C. The working temperature has a greater impact on the NCA cathode materials at a cutoff voltage of 4.3 V that is the practical the upper limit voltage in most applications, while a cutoff voltage of 4.8 V is high enough to cause surface degradation even at room temperature.

Lessons learned for composite structures

NASA Technical Reports Server (NTRS)

Whitehead, R. S.

1991-01-01

Lessons learned for composite structures are presented in three technology areas: materials, manufacturing, and design. In addition, future challenges for composite structures are presented. Composite materials have long gestation periods from the developmental stage to fully matured production status. Many examples exist of unsuccessful attempts to accelerate this gestation period. Experience has shown that technology transition of a new material system to fully matured production status is time consuming, involves risk, is expensive and should not be undertaken lightly. The future challenges for composite materials require an intensification of the science based approach to material development, extension of the vendor/customer interaction process to include all engineering disciplines of the end user, reduced material costs because they are a significant factor in overall part cost, and improved batch-to-batch pre-preg physical property control. Historical manufacturing lessons learned are presented using current in-service production structure as examples. Most producibility problems for these structures can be traced to their sequential engineering design. This caused an excessive emphasis on design-to-weight and schedule at the expense of design-to-cost. This resulted in expensive performance originated designs, which required costly tooling and led to non-producible parts. Historically these problems have been allowed to persist throughout the production run. The current/future approach for the production of affordable composite structures mandates concurrent engineering design where equal emphasis is placed on product and process design. Design for simplified assembly is also emphasized, since assembly costs account for a major portion of total airframe costs. The future challenge for composite manufacturing is, therefore, to utilize concurrent engineering in conjunction with automated manufacturing techniques to build affordable composite structures. Composite design experience has shown that significant weight savings have been achieved, outstanding fatigue and corrosion resistance have been demonstrated, and in-service performance has been very successful. Currently no structural design show stoppers exist for composite structures. A major lesson learned is that the full scale static test is the key test for composites, since it is the primary structural 'hot spot' indicator. The major durability issue is supportability of thin skinned structure. Impact damage has been identified as the most significant issue for the damage tolerance control of composite structures. However, delaminations induced during assembly operations have demonstrated a significant nuisance value. The future challenges for composite structures are threefold. Firstly, composite airframe weight fraction should increase to 60 percent. At the same time, the cost of composite structures must be reduced by 50 percent to attain the goal of affordability. To support these challenges it is essential to develop lower cost materials and processes.

Lateral energy band profile modulation in tunnel field effect transistors based on gate structure engineering

NASA Astrophysics Data System (ADS)

Cui, Ning; Liang, Renrong; Wang, Jing; Xu, Jun

2012-06-01

Choosing novel materials and structures is important for enhancing the on-state current in tunnel field-effect transistors (TFETs). In this paper, we reveal that the on-state performance of TFETs is mainly determined by the energy band profile of the channel. According to this interpretation, we present a new concept of energy band profile modulation (BPM) achieved with gate structure engineering. It is believed that this approach can be used to suppress the ambipolar effect. Based on this method, a Si TFET device with a symmetrical tri-material-gate (TMG) structure is proposed. Two-dimensional numerical simulations demonstrated that the special band profile in this device can boost on-state performance, and it also suppresses the off-state current induced by the ambipolar effect. These unique advantages are maintained over a wide range of gate lengths and supply voltages. The BPM concept can serve as a guideline for improving the performance of nanoscale TFET devices.

Shrink-Induced Superhydrophobic and Antibacterial Surfaces in Consumer Plastics

PubMed Central

Freschauf, Lauren R.; McLane, Jolie; Sharma, Himanshu; Khine, Michelle

2012-01-01

Structurally modified superhydrophobic surfaces have become particularly desirable as stable antibacterial surfaces. Because their self-cleaning and water resistant properties prohibit bacteria growth, structurally modified superhydrophobic surfaces obviate bacterial resistance common with chemical agents, and therefore a robust and stable means to prevent bacteria growth is possible. In this study, we present a rapid fabrication method for creating such superhydrophobic surfaces in consumer hard plastic materials with resulting antibacterial effects. To replace complex fabrication materials and techniques, the initial mold is made with commodity shrink-wrap film and is compatible with large plastic roll-to-roll manufacturing and scale-up techniques. This method involves a purely structural modification free of chemical additives leading to its inherent consistency over time and successive recasting from the same molds. Finally, antibacterial properties are demonstrated in polystyrene (PS), polycarbonate (PC), and polyethylene (PE) by demonstrating the prevention of gram-negative Escherichia coli (E. coli) bacteria growth on our structured plastic surfaces. PMID:22916100

Development of GENOA Progressive Failure Parallel Processing Software Systems

NASA Technical Reports Server (NTRS)

Abdi, Frank; Minnetyan, Levon

1999-01-01

A capability consisting of software development and experimental techniques has been developed and is described. The capability is integrated into GENOA-PFA to model polymer matrix composite (PMC) structures. The capability considers the physics and mechanics of composite materials and structure by integration of a hierarchical multilevel macro-scale (lamina, laminate, and structure) and micro scale (fiber, matrix, and interface) simulation analyses. The modeling involves (1) ply layering methodology utilizing FEM elements with through-the-thickness representation, (2) simulation of effects of material defects and conditions (e.g., voids, fiber waviness, and residual stress) on global static and cyclic fatigue strengths, (3) including material nonlinearities (by updating properties periodically) and geometrical nonlinearities (by Lagrangian updating), (4) simulating crack initiation. and growth to failure under static, cyclic, creep, and impact loads. (5) progressive fracture analysis to determine durability and damage tolerance. (6) identifying the percent contribution of various possible composite failure modes involved in critical damage events. and (7) determining sensitivities of failure modes to design parameters (e.g., fiber volume fraction, ply thickness, fiber orientation. and adhesive-bond thickness). GENOA-PFA progressive failure analysis is now ready for use to investigate the effects on structural responses to PMC material degradation from damage induced by static, cyclic (fatigue). creep, and impact loading in 2D/3D PMC structures subjected to hygrothermal environments. Its use will significantly facilitate targeting design parameter changes that will be most effective in reducing the probability of a given failure mode occurring.

A saponification-triggered gelation of ester-based Zn(II) complex through conformational transformations.

PubMed

Kumar, Ashish; Dubey, Mrigendra; Kumar, Amit; Pandey, Daya Shankar

2014-09-11

Novel saponification-triggered gelation in an ester-based bis-salen Zn(II) complex (1) is described. Strategic structural modifications induced by NaOH in 1 tune the dipolar-/π-interactions leading to J-aggregation and the creation of an inorganic gel material (IGM), which has been established by photophysical, DFT and rheological studies.

Influence of the crystalline structure of cellulose on the production of ethanol from lignocellulose biomass

NASA Astrophysics Data System (ADS)

Smuga-Kogut, Małgorzata; Zgórska, Kazimiera; Szymanowska-Powałowska, Daria

2016-01-01

In recent years, much attention has been devoted to the possibility of using lignocellulosic biomass for energy. Bioethanol is a promising substitute for conventional fossil fuels and can be produced from straw and wood biomass. Therefore, the aim of this paper was to investigate the effect of 1-ethyl-3-methylimidazolium pretreatment on the structure of cellulose and the acquisition of reducing sugars and bioethanol from cellulosic materials. Material used in the study was rye straw and microcrystalline cellulose subjected to ionic liquid 1-ethyl-3-methylimidazolium pretreatment. The morphology of cellulose fibres in rye straw and microcrystalline cellulose was imaged prior to and after ionic liquid pretreatment. Solutions of ionic liquid-treated and untreated cellulosic materials were subjected to enzymatic hydrolysis in order to obtain reducing sugars, which constituted a substrate for alcoholic fermentation. An influence of the ionic liquid on the cellulose structure, accumulation of reducing sugars in the process of hydrolysis of this material, and an increase in ethanol amount after fermentation was observed. The ionic liquid did not affect cellulolytic enzymes negatively and did not inhibit yeast activity. The amount of reducing sugars and ethyl alcohol was higher in samples purified with 1-ethyl-3-methy-limidazolium acetate. A change in the supramolecular structure of cellulose induced by the ionic liquid was also observed.

DNA-nanoparticle assemblies go organic: macroscopic polymeric materials with nanosized features.

PubMed

Mentovich, Elad D; Livanov, Konstantin; Prusty, Deepak K; Sowwan, Mukules; Richter, Shachar

2012-05-30

One of the goals in the field of structural DNA nanotechnology is the use of DNA to build up 2- and 3-D nanostructures. The research in this field is motivated by the remarkable structural features of DNA as well as by its unique and reversible recognition properties. Nucleic acids can be used alone as the skeleton of a broad range of periodic nanopatterns and nanoobjects and in addition, DNA can serve as a linker or template to form DNA-hybrid structures with other materials. This approach can be used for the development of new detection strategies as well as nanoelectronic structures and devices. Here we present a new method for the generation of unprecedented all-organic conjugated-polymer nanoparticle networks guided by DNA, based on a hierarchical self-assembly process. First, microphase separation of amphiphilic block copolymers induced the formation of spherical nanoobjects. As a second ordering concept, DNA base pairing has been employed for the controlled spatial definition of the conjugated-polymer particles within the bulk material. These networks offer the flexibility and the diversity of soft polymeric materials. Thus, simple chemical methodologies could be applied in order to tune the network's electrical, optical and mechanical properties. One- two- and three-dimensional networks have been successfully formed. Common to all morphologies is the integrity of the micelles consisting of DNA block copolymer (DBC), which creates an all-organic engineered network.

Aluminum-induced dreierketten chain cross-links increase the mechanical properties of nanocrystalline calcium aluminosilicate hydrate

NASA Astrophysics Data System (ADS)

Geng, Guoqing; Myers, Rupert J.; Li, Jiaqi; Maboudian, Roya; Carraro, Carlo; Shapiro, David A.; Monteiro, Paulo J. M.

2017-03-01

The incorporation of Al and increased curing temperature promotes the crystallization and cross-linking of calcium (alumino)silicate hydrate (C-(A-)S-H), which is the primary binding phase in most contemporary concrete materials. However, the influence of Al-induced structural changes on the mechanical properties at atomistic scale is not well understood. Herein, synchrotron radiation-based high-pressure X-ray diffraction is used to quantify the influence of dreierketten chain cross-linking on the anisotropic mechanical behavior of C-(A-)S-H. We show that the ab-planar stiffness is independent of dreierketten chain defects, e.g. vacancies in bridging tetrahedra sites and Al for Si substitution. The c-axis of non-cross-linked C-(A-)S-H is more deformable due to the softer interlayer opening but stiffens with decreased spacing and/or increased zeolitic water and Ca2+ of the interlayer. Dreierketten chain cross-links act as ‘columns’ to resist compression, thus increasing the bulk modulus of C-(A-)S-H. We provide the first experimental evidence on the influence of the Al-induced atomistic configurational change on the mechanical properties of C-(A-)S-H. Our work advances the fundamental knowledge of C-(A-)S-H on the lowest level of its hierarchical structure, and thus can impact the way that innovative C-(A-)S-H-based cementitious materials are developed using a ‘bottom-up’ approach.

Aluminum-induced dreierketten chain cross-links increase the mechanical properties of nanocrystalline calcium aluminosilicate hydrate.

PubMed

Geng, Guoqing; Myers, Rupert J; Li, Jiaqi; Maboudian, Roya; Carraro, Carlo; Shapiro, David A; Monteiro, Paulo J M

2017-03-10

The incorporation of Al and increased curing temperature promotes the crystallization and cross-linking of calcium (alumino)silicate hydrate (C-(A-)S-H), which is the primary binding phase in most contemporary concrete materials. However, the influence of Al-induced structural changes on the mechanical properties at atomistic scale is not well understood. Herein, synchrotron radiation-based high-pressure X-ray diffraction is used to quantify the influence of dreierketten chain cross-linking on the anisotropic mechanical behavior of C-(A-)S-H. We show that the ab-planar stiffness is independent of dreierketten chain defects, e.g. vacancies in bridging tetrahedra sites and Al for Si substitution. The c-axis of non-cross-linked C-(A-)S-H is more deformable due to the softer interlayer opening but stiffens with decreased spacing and/or increased zeolitic water and Ca 2+ of the interlayer. Dreierketten chain cross-links act as 'columns' to resist compression, thus increasing the bulk modulus of C-(A-)S-H. We provide the first experimental evidence on the influence of the Al-induced atomistic configurational change on the mechanical properties of C-(A-)S-H. Our work advances the fundamental knowledge of C-(A-)S-H on the lowest level of its hierarchical structure, and thus can impact the way that innovative C-(A-)S-H-based cementitious materials are developed using a 'bottom-up' approach.

Pressure-induced organic topological nodal-line semimetal in the three-dimensional molecular crystal Pd (dddt) 2

NASA Astrophysics Data System (ADS)

Liu, Zhao; Wang, Haidi; Wang, Z. F.; Yang, Jinlong; Liu, Feng

2018-04-01

The nodal-line semimetal represents a class of topological materials characterized with highest band degeneracy. It is usually found in inorganic materials of high crystal symmetry or a minimum symmetry of inversion aided with accidental band degeneracy [Phys. Rev. Lett. 118, 176402 (2017), 10.1103/PhysRevLett.118.176402]. Based on first-principles band structure, Wannier charge center, and topological surface state calculations, here we predict a pressure-induced topological nodal-line semimetal in the absence of spin-orbit coupling (SOC) in the synthesized single-component 3D molecular crystal Pd (dddt) 2 . We show a Γ -centered single nodal line undulating within a narrow energy window across the Fermi level. This intriguing nodal line is generated by pressure-induced accidental band degeneracy, without protection from any crystal symmetry. When SOC is included, the fourfold degenerated nodal line is gapped and Pd (dddt) 2 becomes a strong 3D topological metal with an Z2 index of (1;000). However, the tiny SOC gap makes it still possible to detect the nodal-line properties experimentally. Our findings afford an attractive route for designing and realizing topological states in 3D molecular crystals, as they are weakly bonded through van der Waals forces with a low crystal symmetry so that their electronic structures can be easily tuned by pressure.

Synthesis, Structure, and Pressure-Induced Polymerization of Li3Fe(CN)6 Accompanied with Enhanced Conductivity.

PubMed

Li, Kuo; Zheng, Haiyan; Hattori, Takanori; Sano-Furukawa, Asami; Tulk, Christopher A; Molaison, Jamie; Feygenson, Mikhail; Ivanov, Ilia N; Yang, Wenge; Mao, Ho-Kwang

2015-12-07

Pressure-induced polymerization of charged triple-bond monomers like acetylide and cyanide could lead to formation of a conductive metal-carbon network composite, thus providing a new route to synthesize inorganic/organic conductors with tunable composition and properties. The industry application of this promising synthetic method is mainly limited by the reaction pressure needed, which is often too high to be reached for gram amounts of sample. Here we successfully synthesized highly conductive Li3Fe(CN)6 at maximum pressure around 5 GPa and used in situ diagnostic tools to follow the structural and functional transformations of the sample, including in situ X-ray and neutron diffraction and Raman and impedance spectroscopy, along with the neutron pair distribution function measurement on the recovered sample. The cyanide anions start to react around 1 GPa and bond to each other irreversibly at around 5 GPa, which are the lowest reaction pressures in all known metal cyanides and within the technologically achievable pressure range for industrial production. The conductivity of the polymer is above 10(-3) S · cm(-1), which reaches the range of conductive polymers. This investigation suggests that the pressure-induced polymerization route is practicable for synthesizing some types of functional conductive materials for industrial use, and further research like doping and heating can hence be motivated to synthesize novel materials under lower pressure and with better performances.

Dynamic Pattern Formation in Electron-Beam-Induced Etching [Emergent formation of dynamic topographic patterns in electron beam induced etching

DOE PAGES

Martin, Aiden A.; Bahm, Alan; Bishop, James; ...

2015-12-15

Here, we report highly ordered topographic patterns that form on the surface of diamond, span multiple length scales, and have a symmetry controlled by the precursor gas species used in electron-beam-induced etching (EBIE). The pattern formation dynamics reveals an etch rate anisotropy and an electron energy transfer pathway that is overlooked by existing EBIE models. Therefore, we, modify established theory such that it explains our results and remains universally applicable to EBIE. Furthermore, the patterns can be exploited in controlled wetting, optical structuring, and other emerging applications that require nano- and microscale surface texturing of a wide band-gap material.

Polarization-induced surface charges in hydroxyapatite ceramics

NASA Astrophysics Data System (ADS)

Horiuchi, N.; Nakaguki, S.; Wada, N.; Nozaki, K.; Nakamura, M.; Nagai, A.; Katayama, K.; Yamashita, K.

2014-07-01

Calcium hydroxyapatite (HAp; Ca10(PO4)6(OH)2) is a well-known biomaterial that is the main inorganic component of bones and teeth. Control over the surface charge on HAp would be a key advance in the development of the material for tissue engineering. We demonstrate here that surface charge can be induced by an electrical poling process using the Kelvin method. Positive and negative charges were induced on the HAp surface in response to the applied electric field in the poling process. The surface charging is attributed to dipole polarization that is homogeneously distributed in HAp. Additionally, the surface charging is considered to originate from the organization of OH- ions into a polar phase in the structure.

Aggregation-induced emission—fluorophores and applications

NASA Astrophysics Data System (ADS)

Hong, Yuning

2016-06-01

Aggregation-induced emission (AIE) is a novel photophysical phenomenon found in a group of luminogens that are not fluorescent in solution but are highly emissive in the aggregate or solid state. Since the first publication of AIE luminogens in 2001, AIE has become a hot research area in which the number of research papers regarding new AIE molecules and their applications has been increasing in an exponential manner. Thomson Reuters Essential Science Indicators ranked AIE no.3 among the Top 100 Research Frontiers in the field of Chemistry and Materials Science in 2013. In this review, I will give a general introduction of the AIE phenomenon, discuss the structure-property relationship of the AIE lumingens and summarize the recent progress in the applications including as light-emitting materials in optoelectronics, as chemosensors and bioprobes, and for bioimaging (total 69 references cited).

Quantum confinement-induced tunable exciton states in graphene oxide.

PubMed

Lee, Dongwook; Seo, Jiwon; Zhu, Xi; Lee, Jiyoul; Shin, Hyeon-Jin; Cole, Jacqueline M; Shin, Taeho; Lee, Jaichan; Lee, Hangil; Su, Haibin

2013-01-01

Graphene oxide has recently been considered to be a potential replacement for cadmium-based quantum dots due to its expected high fluorescence. Although previously reported, the origin of the luminescence in graphene oxide is still controversial. Here, we report the presence of core/valence excitons in graphene-based materials, a basic ingredient for optical devices, induced by quantum confinement. Electron confinement in the unreacted graphitic regions of graphene oxide was probed by high resolution X-ray absorption near edge structure spectroscopy and first-principles calculations. Using experiments and simulations, we were able to tune the core/valence exciton energy by manipulating the size of graphitic regions through the degree of oxidation. The binding energy of an exciton in highly oxidized graphene oxide is similar to that in organic electroluminescent materials. These results open the possibility of graphene oxide-based optoelectronic device technology.

Ion implantation disorder in strained-layer superlattices

NASA Astrophysics Data System (ADS)

Arnold, G. W.; Picraux, S. T.; Peercy, P. S.; Myers, D. R.; Biefeld, R. M.; Dawson, L. R.

Cantilever beam bending and RBS channeling measurements have been used to examine implantation induced disorder and stress buildup in InO 2GaO 8As/GaAs SLS structures. The critical fluence for saturation of compressive stress occurs prior to amorphous layer formation and is followed by stress relief. For all the ions the maximum ion induced stress scales with energy density into atomic processes and stress relief occurs above approximately 1x10 to the 20th keV/1 cubic cm. Stress relief is more pronounced for the SLSs than for bulk GaAs. Stress relief may lead to slip or other forms of inelastic material flow in SLSs, which would be undesirable for active regions in device applications. Such material flow may be avoided by limiting maximum fluences or by multiple step or simultaneous implantation and annealing for high fluences.

Automating the application of smart materials for protein crystallization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khurshid, Sahir; Govada, Lata; EL-Sharif, Hazim F.

2015-03-01

The first semi-liquid, non-protein nucleating agent for automated protein crystallization trials is described. This ‘smart material’ is demonstrated to induce crystal growth and will provide a simple, cost-effective tool for scientists in academia and industry. The fabrication and validation of the first semi-liquid nonprotein nucleating agent to be administered automatically to crystallization trials is reported. This research builds upon prior demonstration of the suitability of molecularly imprinted polymers (MIPs; known as ‘smart materials’) for inducing protein crystal growth. Modified MIPs of altered texture suitable for high-throughput trials are demonstrated to improve crystal quality and to increase the probability of successmore » when screening for suitable crystallization conditions. The application of these materials is simple, time-efficient and will provide a potent tool for structural biologists embarking on crystallization trials.« less

Pressure-induced densification in GeO{sub 2} glass: A transmission x-ray microscopy study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Yu, E-mail: lyforest@stanford.edu; Zeng, Qiaoshi; Yang, Wenge

2013-12-23

Nanoscale transmission x-ray microscopy measurements have been performed to determine the effect of pressure (P) on the volume (V) change in GeO{sub 2} glass up to 38.5 GPa. The P-V data show a continuous increase upon compression, indicating that the density-driven structural transformation is a gradual process. Over the pressure range studied, a transition is observed at approximately 10–13 GPa, where the material displays distinct compression behaviors. The pressure-induced densification that involves the coordination number change has been discussed. Using this newly developed high-pressure imaging technique with tens of nanometer resolution, we have provided a direct and unequivocal way for measuring densitymore » of amorphous materials to much higher pressures with accuracy rivaling x-ray diffraction of crystalline solids.« less

Towards novel multiferroic and magnetoelectric materials: dipole stability in tetragonal tungsten bronzes

PubMed Central

Rotaru, Andrei; Miller, Andrew J.; Arnold, Donna C.; Morrison, Finlay D.

2014-01-01

We discuss the strategy for development of novel functional materials with the tetragonal tungsten bronze structure. From the starting composition Ba6GaNb9O30, the effect of A- and B-site substitutions on the dielectric properties is used to develop an understanding of the origin and stability of the dipolar response in these compounds. Both tetragonal strain induced by large B-site cations and local strain variations created by isovalent A-site substitutions enhance dipole stability but result in a dilute, weakly correlated dipolar response and canonical relaxor behaviour. Decreasing cation size at the perovskite A2-site increases the dipolar displacements in the surrounding octahedra, but insufficiently to result in dipole ordering. Mechanisms introducing small A-site lanthanide cations and incorporation of A-site vacancies to induce ferroelectricity and magnetism are presented. PMID:24421377

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ying

Radiation-induced segregation (RIS) has been frequently reported in structural materials such as austenitic, ferritic, and ferritic-martensitic stainless steels (SS) that have been widely used in light water reactors (LWRs). RIS has been linked to secondary degradation effects in SS including irradiation-induced stress corrosion cracking (IASCC). Earlier studies on thermal segregation in Fe-based alloys found that metalloids elements such as P, S, Si, Ge, Sn, etc., embrittle the materials when enrichment was observed at grain boundaries (GBs). RIS of Fe-Cr-Ni-based austenitic steels has been modeled in the U.S. 2015 fiscal year (FY2015), which identified the pre-enrichment due to thermal segregation canmore » have an important role on the subsequent RIS. The goal of this work is to develop thermal segregation models for alloying elements in steels for future integration with RIS modeling.« less

Open problems in active chaotic flows: Competition between chaos and order in granular materials.

PubMed

Ottino, J. M.; Khakhar, D. V.

2002-06-01

There are many systems where interaction among the elementary building blocks-no matter how well understood-does not even give a glimpse of the behavior of the global system itself. Characteristic for these systems is the ability to display structure without any external organizing principle being applied. They self-organize as a consequence of synthesis and collective phenomena and the behavior cannot be understood in terms of the systems' constitutive elements alone. A simple example is flowing granular materials, i.e., systems composed of particles or grains. How the grains interact with each other is reasonably well understood; as to how particles move, the governing law is Newton's second law. There are no surprises at this level. However, when the particles are many and the material is vibrated or tumbled, surprising behavior emerges. Systems self-organize in complex patterns that cannot be deduced from the behavior of the particles alone. Self-organization is often the result of competing effects; flowing granular matter displays both mixing and segregation. Small differences in either size or density lead to flow-induced segregation and order; similar to fluids, noncohesive granular materials can display chaotic mixing and disorder. Competition gives rise to a wealth of experimental outcomes. Equilibrium structures, obtained experimentally in quasi-two-dimensional systems, display organization in the presence of disorder, and are captured by a continuum flow model incorporating collisional diffusion and density-driven segregation. Several open issues remain to be addressed. These include analysis of segregating chaotic systems from a dynamical systems viewpoint, and understanding three-dimensional systems and wet granular systems (slurries). General aspects of the competition between chaos-enhanced mixing and properties-induced de-mixing go beyond granular materials and may offer a paradigm for other kinds of physical systems. (c) 2002 American Institute of Physics.

Tuning the Adsorption-Induced Phase Change in the Flexible Metal–Organic Framework Co(bdp)

DOE PAGES

Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; ...

2016-11-02

Metal–organic frameworks that flex to undergo structural phase changes upon gas adsorption are promising materials for gas storage and separations, and achieving synthetic control over the pressure at which these changes occur is crucial to the design of such materials for specific applications. To this end, a new family of materials based on the flexible metal–organic framework Co(bdp) (bdp 2– = 1,4-benzenedipyrazolate) has been prepared via the introduction of fluorine, deuterium, and methyl functional groups on the bdp 2– ligand, namely, Co(F-bdp), Co(p-F 2-bdp), Co(o-F 2-bdp), Co(D 4-bdp), and Co(p-Me 2-bdp). These frameworks are isoreticular to the parent framework andmore » exhibit similar structural flexibility, transitioning from a low-porosity, collapsed phase to high-porosity, expanded phases with increasing gas pressure. Powder X-ray diffraction studies reveal that fluorination of the aryl ring disrupts edge-to-face π–π interactions, which work to stabilize the collapsed phase at low gas pressures, while deuteration preserves these interactions and methylation strengthens them. In agreement with these observations, high-pressure CH 4 adsorption isotherms show that the pressure of the CH 4-induced framework expansion can be systematically controlled by ligand functionalization, as materials without edge-to-face interactions in the collapsed phase expand at lower CH 4 pressures, while frameworks with strengthened edge-to-face interactions expand at higher pressures. This work puts forth a general design strategy relevant to many other families of flexible metal–organic frameworks, which will be a powerful tool in optimizing these phase-change materials for industrial applications.« less

Impact of substrate on structure and electrical properties in lead-based ferroelectric thin films

NASA Astrophysics Data System (ADS)

Valanoor, Nagarajan Venkatasubramanian

Current trends in semiconductor technology demand that ferroelectric materials be used in thin film form, rather than bulk, for integration and scaling purposes. An inevitable consequence of integration is substrate induced constraint and stress. Sources of this stress are the lattice and thermal mismatch between film and substrate, structural phase transformation which leads to spontaneous strains, and dislocation cores at the film substrate interface. In addition to classical stress relaxation mechanisms all highly tetragonal ferroelectrics relax internal stress via formation of polydomain (90° domains and not 180° domains) structures below the phase transformation, which brings about a change in the microstructure of the film. Hence it is possible to control the resultant microstructure by controlling the degree of polydomain relaxation. Obviously this affects the electrical and electro-mechanical properties and in turn the device performance. The goal of this research is to study this structure-property relationship of ferroelectric thin films where in the structure has been systematically modified by changing the substrate-induced effect. To investigate the effect of the substrate, epitaxial films of PbZr 0.2Ti0.8O3 were grown by pulsed laser deposition (PLD). Epitaxial films reduce the complexities introduced grain boundaries and multiple domain orientations. By systematically changing the thickness the spontaneous strain or c/a ratio can be varied. As a consequence polydomain formation varies as a function of film thickness. Thus this is an effective yet simple method to fully understand the impact of stress on structure-property inter-relationships. The theoretical background for these experiments is first laid out by a thermodynamic analysis of the polydomain formation. It leads to the construction of a domain stability map and indicates a presence of a critical thickness for polydomain formation. This is followed by an investigation of the impact of polydomain formation on quasi-static and dynamic polarization switching. To correlate the material microstructure to switching, an activation field, alpha, is introduced. It is shown theoretically that alpha ∝ (c/a-1)3.5 and a good experimental fit can be obtained. However it is observed that polydomain formation does not impact the electromechanical and dielectric response significantly. It is shown experimentally and theoretically that stress-induced polarization varies only by 10%. Therefore to study the impact of in plane stresses induced by substrate on piezoelectric and dielectric response we chose a "soft" relaxor ferroelectric (RFE) wherein the Curie temperature is close to room temperature. In this case even a small application of stress can change the properties significantly. The relaxor composition chosen was PbMg1/3Nb 2/3O3(90%)-PbTiO3(10%). By systematically changing the substrate and the thickness, stresses in the film the electromechanical constants is varied. High-resolution electron microscopy revealed a distinct change in the microstructure as a function of thickness, and a probable answer as to why thin films show inferior properties compared to bulk materials is proposed. The last part of this thesis focuses on the effect of micro stresses. Two examples are demonstrated where the mechanical forces of interaction between the film and substrate are manipulated on a very local scale. We show that by inducing stresses at local regions one can induce polydomains in film thinner than previously calculated critical thickness, while by removing constraint at local regions we can enhance the d33 co-efficient to values higher than those shown by bulk ceramics.

Vibration reduction for smart periodic structures via periodic piezoelectric arrays with nonlinear interleaved-switched electronic networks

NASA Astrophysics Data System (ADS)

Bao, Bin; Guyomar, Daniel; Lallart, Mickaël

2017-01-01

Smart periodic structures covered by periodically distributed piezoelectric patches have drawn more and more attention in recent years for wave propagation attenuation and corresponding structural vibration suppression. Since piezoelectric materials are special type of energy conversion materials that link mechanical characteristics with electrical characteristics, shunt circuits coupled with such materials play a key role in the wave propagation and/or vibration control performance in smart periodic structures. Conventional shunt circuit designs utilize resistive shunt (R-shunt) and resonant shunt (RL-shunt). More recently, semi-passive nonlinear approaches have also been developed for efficiently controlling the vibrations of such structures. In this paper, an innovative smart periodic beam structure with nonlinear interleaved-switched electric networks based on synchronized switching damping on inductor (SSDI) is proposed and investigated for vibration reduction and wave propagation attenuation. Different from locally resonant band gap mechanism forming narrow band gaps around the desired resonant frequencies, the proposed interleaved electrical networks can induce new broadly low-frequency stop bands and broaden primitive Bragg stop bands by virtue of unique interleaved electrical configurations and the SSDI technique which has the unique feature of realizing automatic impedance adaptation with a small inductance. Finite element modeling of a Timoshenko electromechanical beam structure is also presented for validating dispersion properties of the structure. Both theoretical and experimental results demonstrate that the proposed beam structure not only shows better vibration and wave propagation attenuation than the smart beam structure with independent switched networks, but also has technical simplicity of requiring only half of the number of switches than the independent switched network needs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shephard, Jacob J.; Vickers, Martin; Salzmann, Christoph G., E-mail: c.salzmann@ucl.ac.uk

Low-density amorphous (LDA) ice is involved in critical cosmological processes and has gained prominence as one of the at least two distinct amorphous forms of ice. Despite these accolades, we still have an incomplete understanding of the structural diversity that is encompassed within the LDA state and the dynamic processes that take place upon heating LDA. Heating the high-pressure ice VIII phase at ambient pressure is a remarkable example of temperature-induced amorphisation yielding LDA. We investigate this process in detail using X-ray diffraction and Raman spectroscopy and show that the LDA obtained from ice VIII is structurally different from themore » more “traditional” states of LDA which are approached upon thermal annealing. This new structural relaxation pathway involves an increase of structural order on the intermediate range length scale. In contrast with other LDA materials the local structure is more ordered initially and becomes slightly more disordered upon annealing. We also show that the cascade of phase transitions upon heating ice VIII at ambient pressure includes the formation of ice IX which may be connected with the structural peculiarities of LDA from ice VIII. Overall, this study shows that LDA is a structurally more diverse material than previously appreciated.« less

Advanced Technology Composite Fuselage-Structural Performance

NASA Technical Reports Server (NTRS)

Walker, T. H.; Minguet, P. J.; Flynn, B. W.; Carbery, D. J.; Swanson, G. D.; Ilcewicz, L. B.

1997-01-01

Boeing is studying the technologies associated with the application of composite materials to commercial transport fuselage structure under the NASA-sponsored contracts for Advanced Technology Composite Aircraft Structures (ATCAS) and Materials Development Omnibus Contract (MDOC). This report addresses the program activities related to structural performance of the selected concepts, including both the design development and subsequent detailed evaluation. Design criteria were developed to ensure compliance with regulatory requirements and typical company objectives. Accurate analysis methods were selected and/or developed where practical, and conservative approaches were used where significant approximations were necessary. Design sizing activities supported subsequent development by providing representative design configurations for structural evaluation and by identifying the critical performance issues. Significant program efforts were directed towards assessing structural performance predictive capability. The structural database collected to perform this assessment was intimately linked to the manufacturing scale-up activities to ensure inclusion of manufacturing-induced performance traits. Mechanical tests were conducted to support the development and critical evaluation of analysis methods addressing internal loads, stability, ultimate strength, attachment and splice strength, and damage tolerance. Unresolved aspects of these performance issues were identified as part of the assessments, providing direction for future development.

Critical role of the coupling between the octahedral rotation and A -site ionic displacements in PbZr O3 -based antiferroelectric materials investigated by in situ neutron diffraction

NASA Astrophysics Data System (ADS)

Lu, Teng; Studer, Andrew J.; Yu, Dehong; Withers, Ray L.; Feng, Yujun; Chen, Hua; Islam, S. S.; Xu, Zhuo; Liu, Yun

2017-12-01

This in situ neutron-diffraction study on antiferroelectric (AFE) P b0.99(N b0.02Z r0.65S n0.28T i0.05 ) O3 polycrystalline materials describes systematic structural and associated preferred orientation changes as a function of applied electric field and temperature. It is found that the pristine AFE phase can be poled into the metastable ferroelectric (FE) phase at room temperature. At this stage, both AFE and FE phases consist of modes associated with octahedral rotation and A -site ionic displacements. The temperature-induced phase transition indicates that the octahedral rotation and ionic displacements are weakly coupled in the room-temperature FE phase and decoupled in the high-temperature FE phase. However, both temperature and E -field-induced phase transitions between the AFE and high-temperature FE phase demonstrate the critical role of coupling between octahedral rotation and A -site ionic displacements in stabilizing the AFE structure, which provides not only experimental evidence to support previous theoretical calculations, but also an insight into the design and development of AFE materials. Moreover, the associated preferred orientation evolution in both AFE and FE phases is studied during the phase transitions. It is found that the formation of the preferred orientation can be controlled to tune the samples' FE and AFE properties.

Strain-induced Weyl and Dirac states and direct-indirect gap transitions in group-V materials

NASA Astrophysics Data System (ADS)

Moynihan, Glenn; Sanvito, Stefano; O'Regan, David D.

2017-12-01

We perform comprehensive density-functional theory calculations on strained two-dimensional phosphorus (P), arsenic (As) and antimony (Sb) in the monolayer, bilayer, and bulk α-phase, from which we compute the key mechanical and electronic properties of these materials. Specifically, we compute their electronic band structures, band gaps, and charge-carrier effective masses, and identify the qualitative electronic and structural transitions that may occur. Moreover, we compute the elastic properties such as the Young’s modulus Y; shear modulus G; bulk modulus B ; and Poisson ratio ν and present their isotropic averages of as well as their dependence on the in-plane orientation, for which the relevant expressions are derived. We predict strain-induced Dirac states in the monolayers of As and Sb and the bilayers of P, As, and Sb, as well as the possible existence of Weyl states in the bulk phases of P and As. These phases are predicted to support charge velocities up to 106 m {{\\text{s}}-1} and, in some highly anisotropic cases, permit one-dimensional ballistic conductivity in the puckered direction. We also predict numerous band gap transitions for moderate in-plane stresses. Our results contribute to the mounting evidence for the utility of these materials, made possible by their broad range in tuneable properties, and facilitate the directed exploration of their potential application in next-generation electronics.

Colossal permittivity induced by lattice mirror reflection symmetry breaking in Ba7Ir3O13+x(0 <= x <= 1.5) epitaxial thin films

NASA Astrophysics Data System (ADS)

Miao, Ludi; Xin, Yan; Zhu, Huiwen; Xu, Hong; Luo, Sijun; Talbayev, Diyar; Stanislavchuk, T. N.; Sirenko, A. A.; Mao, Zhiqiang

2014-03-01

Materials with colossal permittivity (CP) at room temperature hold tremendous promise in modern microelectronics as well as high-energy-density storage applications. Despite several proposed mechanisms that lead torecent discoveries of a series of new CP materials such as Nb, In co-doped TiO2 and CaCu3Ti4O12 ceramics, it is imperative to find other approaches which can further guide the search for new CP materials. In this talk, we will demonstrate a new mechanism for CP: the breaking of mirror reflection symmetry of lattice can cause CP. This mechanism was revealed in a new layered iridate Ba7Ir3O13+x (BIO) thin film we recently discovered. Structural characterization of BIO films show that its mirror reflection symmetry is broken along b-axis, but preserved along a- and c-axes. Dielectric property measurements of BIO films at room temperature show a CP (103-10<4) along the in-plane direction, but a much smaller permittivity (10- 20) along the c-axis, in the 102- 106 Hz frequency range. Such unusually large anisotropy in permittivity testifies to the significant role of the structural in-plane mirror reflection symmetry breaking in inducing CP. This work is supported by DOD-ARO under Grant No. W911NF0910530.

Investigating the reversibility of structural modifications of Li xNi yMn zCo 1-y-zO₂ cathode materials during initial charge/discharge, at multiple length scales

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hwang, Sooyeon; Bak, Seong -Min; Kim, Seung Min

2015-08-11

In this work, we investigate the structural modifications occurring at the bulk, subsurface, and surface scales of Li xNi yMn zCo 1-y-zO₂ (NMC; y, z = 0.8, 0.1 and 0.4, 0.3, respectively) cathode materials during the initial charge/discharge. Various analytical tools, such as X-ray diffraction, selected-area electron diffraction, electron energy-loss spectroscopy, and high-resolution electron microscopy, are used to examine the structural properties of the NMC cathode materials at the three different scales. Cut-off voltages of 4.3 and 4.8 V are applied during the electrochemical tests as the normal and extreme conditions, respectively. The high-Ni-content NMC cathode materials exhibit unusual behaviors,more » which is deviate from the general redox reactions during the charge or discharge. The transition metal (TM) ions in the high-Ni-content NMC cathode materials, which are mostly Ni ions, are reduced at 4.8 V, even though TMs are usually oxidized to maintain charge neutrality upon the removal of Li. It was found that any changes in the crystallographic and electronic structures are mostly reversible down to the sub-surface scale, despite the unexpected reduction of Ni ions. However, after the discharge, traces of the phase transitions remain at the edges of the NMC cathode materials at the scale of a few nanometers (i.e., surface scale). This study demonstrates that the structural modifications in NMC cathode materials are induced by charge as well as discharge at multiple length scales. These changes are nearly reversible after the first cycle, except at the edges of the samples, which should be avoided because these highly localized changes can initiate battery degradation.« less

Facile synthesis of analogous graphene quantum dots with sp(2) hybridized carbon atom dominant structures and their photovoltaic application.

PubMed

Huang, Zhengcheng; Shen, Yongtao; Li, Yu; Zheng, Wenjun; Xue, Yunjia; Qin, Chengqun; Zhang, Bo; Hao, Jingxiang; Feng, Wei

2014-11-07

Graphene quantum dot (GQD) is an emerging class of zero-dimensional nanocarbon material with many novel applications. It is of scientific importance to prepare GQDs with more perfect structures, that is, GQDs containing negligible oxygenous defects, for both optimizing their optical properties and helping in their photovoltaic applications. Herein, a new strategy for the facile preparation of "pristine" GQDs is reported. The method we presented is a combination of a bottom-up synthetic and a solvent-induced interface separation process, during which the target products with highly crystalline structure were selected by the organic solvent. The obtained organic soluble GQDs (O-GQDs) showed a significant difference in structure and composition compared with ordinary aqueous soluble GQDs, thus leading to a series of novel properties. Furthermore, O-GQDs were applied as electron-acceptors in a poly(3-hexylthiophene) (P3HT)-based organic photovoltaic device. The performance highlights that O-GQD has potential to be a novel electron-acceptor material due to the sp(2) hybridized carbon atom dominant structure and good solubility in organic solvents.

Influence of Ar-irradiation on structural and nanomechanical properties of pure zirconium measured by means of GIXRD and nanoindentation techniques

NASA Astrophysics Data System (ADS)

Kurpaska, L.; Gapinska, M.; Jasinski, J.; Lesniak, M.; Sitarz, M.; Nowakowska-Langier, K.; Jagielski, J.; Wozniak, K.

2016-12-01

An effect of Ar-irradiation on structural and nanomechanical properties of pure zirconium at room temperature was investigated. In order to simulate the radiation damage, the argon ions were implanted into the pure zirconium coupons with fluences ranging from 1 × 1015 to 1 × 1017 cm-2. Prior to irradiation, zirconium samples were chemically polished with a solution of HF/HNO3/H2O. Structural properties of the implanted layer were studied using Grazing Incidence X-Ray Diffraction (GIXRD) technique. The nanomechanical properties of the material were measured by means of nanoindentation technique. The obtained results revealed correlation between Ar-implantation fluence, hardness and structural properties (as confirmed by the modification of the diffraction peaks). Material hardening and peak shift & broadening in GIXD spectra were associated with the local increase of micro-strains, which is related to the increased density of type - dislocation loops. Presented study confirms that the structural changes induced by ion irradiation are directly linked to the mechanical response of the sample.

Comparison of the performance of concrete-filled steel tubular and hollow steel diagrid buildings

NASA Astrophysics Data System (ADS)

Peter, Minu Ann; S, Sajith A.; Nagarajan, Praveen

2018-03-01

In the recent construction scenario, diagrid structures are becoming a popular high-rise building structural system. Diagrid structures consist of diagonals in the perimeter and an interior core. The corner and interior vertical columns are not required due to the structural efficiency of diagrid structural systems. Steel and concrete are commonly used material for diagrid. An alternate material for diagrid is concrete-filled steel tube (CFST). CFST incorporates the advantages of both steel and concrete. In CFST, the inward buckling of the steel tube is effectively prevented by the filled concrete. The compressive strength of concrete increases due to the tri-axial state of stress in concrete induced by the steel tube. The longitudinal as well as lateral reinforcement to the concrete core is also provided by the steel tube. This paper compares the performance of CFST and steel diagrid buildings using linear static analysis. For this purpose, a 12 storey and 36 storey building are analysed using finite element method and CFST diagrid building is found to perform better.

Understanding the formation and growth of Ag nanoparticles on silver chromate induced by electron irradiation in electron microscope: A combined experimental and theoretical study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fabbro, Maria T.; Department of Inorganic and Organic Chemistry, Universitat Jaume I, Campus del Riu Sec, E-12071 Castellón; Gracia, Lourdes

Ag{sub 2}CrO{sub 4} microcrystals were synthesized using the co-precipitation method. These microcrystals were characterized through X-ray diffraction (XRD) with Rietveld analysis, field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM) with energy-dispersive spectroscopy (EDS), micro-Raman (MR). XRD patterns and Rietveld refinement data showed that the material exhibits an orthorhombic structure without any deleterious phases. FE-SEM and TEM micrographs revealed the morphology and the growth of Ag nanoparticles on Ag{sub 2}CrO{sub 4} microcrystals during electron beam irradiation. These events were directly monitored in real-time. Their optical properties were investigated using ultraviolet-visible (UV–vis) diffuse reflectance spectroscopy that allowed the calculation of themore » optical band gap energy. Theoretical analyses based on the density functional theory level indicate that the incorporation of electrons is responsible for structural modifications and formation of defects on the [AgO{sub 6}] and [AgO{sub 4}] clusters, generating ideal conditions for the growth of Ag nanoparticles. - Graphical abstract: Theoretical representation of the Ag{sub 2}CrO{sub 4} orthorhombic structure. Display Omitted - Highlights: • The Ag{sub 2}CrO{sub 4} microcrystals indicate an orthorhombic structure. • The formation of Ag{sup 0} promotes Ag-nanoparticle growth on the surface of the Ag{sub 2}CrO{sub 4}. • Electron irradiation of the material induces the formation of Ag vacancies.« less

Investigation of the stability of glass-ceramic composites containing CeTi 2 O 6 and CaZrTi 2 O 7 after ion implantation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paknahad, Elham; Grosvenor, Andrew P.

Glass-ceramic composite materials have been investigated for nuclear waste sequestration applications due to their ability to incorporate large amounts of radioactive waste elements. A key property that needs to be understood when developing nuclear waste sequestration materials is how the structure of the material responds to radioactive decay of nuclear waste elements, which can be simulated by high energy ion implantation. Borosilicate glass-ceramic composites containing brannerite-type (CeTi2O6) or zirconolite-type (CaZrTi2O7) oxides were synthesized at different annealing temperatures and investigated after being implanted with high-energy Au ions to mimic radiation induced structural damage. Backscattered electron (BSE) images were collected to investigatemore » the interaction of the brannerite crystallites with the glass matrix before and after implantation and showed that the morphology of the crystallites in the composite materials were not affected by radiation damage. Surface sensitive Ti K-edge glancing angle XANES spectra collected from the implanted composite materials showed that the structures of the CeTi2O6 and CaZrTi2O7 ceramics were damaged as a result of implantation; however, analysis of Si L2,3-edge XANES spectra indicated that the glass matrix was not affected by ion implantation.« less