Mobility scooter driving ability in visually impaired individuals.

PubMed

Cordes, Christina; Heutink, Joost; Brookhuis, Karel A; Brouwer, Wiebo H; Melis-Dankers, Bart J M

2018-06-01

To investigate how well visually impaired individuals can learn to use mobility scooters and which parts of the driving task deserve special attention. A mobility scooter driving skill test was developed to compare driving skills (e.g. reverse driving, turning) between 48 visually impaired (very low visual acuity = 14, low visual acuity = 10, peripheral field defects = 11, multiple visual impairments = 13) and 37 normal-sighted controls without any prior experience with mobility scooters. Performance on this test was rated on a three-point scale. Furthermore, the number of extra repetitions on the different elements were noted. Results showed that visually impaired participants were able to gain sufficient driving skills to be able to use mobility scooters. Participants with visual field defects combined with low visual acuity showed most problems learning different skills and needed more training. Reverse driving and stopping seemed to be most difficult. The present findings suggest that visually impaired individuals are able to learn to drive mobility scooters. Mobility scooter allocators should be aware that these individuals might need more training on certain elements of the driving task. Implications for rehabilitation Visual impairments do not necessarily lead to an inability to acquire mobility scooter driving skills. Individuals with peripheral field defects (especially in combination with reduced visual acuity) need more driving ability training compared to normal-sighted people - especially to accomplish reversing. Individual assessment of visually impaired people is recommended, since participants in this study showed a wide variation in ability to learn driving a mobility scooter.

New method for maximum mobilization of temporalis muscle flap.

PubMed

Masic, Tarik; Babajic, Emina; Dervisevic, Almir; Hassouba, Mahmoud

2012-01-01

Pedicled temporalis muscle flap presenting a good flap for closing large craniofacial defects. Careful surgeons usually do not mobilize temporalis muscle flap enough to make appropriate use, fully closure, especially if defect exceeds the median line. Temporalis flap was used in 16 patients, ages ranged between 12 and 76. In all cases defect reconstruction was done by useing new method of extending standard temporal muscle flap. During surgical procedure it is very important to keep periosteal elevator in close contact with the bone. Then, there is no risk for pedicle injury. After vascular pedicle is identified elevating temporal muscle has to be continued by releasing the muscle insertion from the coronoid process. By this way, flap length and arc of rotation is increased. The flap remained viable in all instances. Most of the patients experienced no perioperative complications. There was no major complications or mortality as a result of performed procedures. With this division, flap length was increased at least 2 cm wich is enough for covering defects crossing the midline. Instead of using bilateral temporalis muscle flaps for defect closure, unilateral is sufficient. With this extension of the pedicle length now rotation point is not at the level of the zygomatic arch but lower part mandibular neck.

Spatial distribution of defect luminescence in GaN nanowires.

PubMed

Li, Qiming; Wang, George T

2010-05-12

The spatial distribution of defect-related and band-edge luminescence from GaN nanowires grown by metal-organic chemical vapor deposition was studied by spatially resolved cathodoluminescence imaging and spectroscopy. A surface layer exhibiting strong yellow luminescence (YL) near 566 nm in the nanowires was revealed, compared to weak YL in the bulk. In contrast, other defect-related luminescence near 428 nm (blue luminescence) and 734 nm (red luminescence), in addition to band-edge luminescence (BEL) at 366 nm, were observed in the bulk of the nanowires but were largely absent at the surface. As the nanowire width approaches a critical dimension, the surface YL layer completely quenches the BEL. The surface YL is attributed to the diffusion and piling up of mobile point defects, likely isolated gallium vacancies, at the surface during growth.

A phase field model for segregation and precipitation induced by irradiation in alloys

NASA Astrophysics Data System (ADS)

Badillo, A.; Bellon, P.; Averback, R. S.

2015-04-01

A phase field model is introduced to model the evolution of multicomponent alloys under irradiation, including radiation-induced segregation and precipitation. The thermodynamic and kinetic components of this model are derived using a mean-field model. The mobility coefficient and the contribution of chemical heterogeneity to free energy are rescaled by the cell size used in the phase field model, yielding microstructural evolutions that are independent of the cell size. A new treatment is proposed for point defect clusters, using a mixed discrete-continuous approach to capture the stochastic character of defect cluster production in displacement cascades, while retaining the efficient modeling of the fate of these clusters using diffusion equations. The model is tested on unary and binary alloy systems using two-dimensional simulations. In a unary system, the evolution of point defects under irradiation is studied in the presence of defect clusters, either pre-existing ones or those created by irradiation, and compared with rate theory calculations. Binary alloys with zero and positive heats of mixing are then studied to investigate the effect of point defect clustering on radiation-induced segregation and precipitation in undersaturated solid solutions. Lastly, irradiation conditions and alloy parameters leading to irradiation-induced homogeneous precipitation are investigated. The results are discussed in the context of experimental results reported for Ni-Si and Al-Zn undersaturated solid solutions subjected to irradiation.

Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys

NASA Astrophysics Data System (ADS)

Lu, Chenyang; Niu, Liangliang; Chen, Nanjun; Jin, Ke; Yang, Taini; Xiu, Pengyuan; Zhang, Yanwen; Gao, Fei; Bei, Hongbin; Shi, Shi; He, Mo-Rigen; Robertson, Ian M.; Weber, William J.; Wang, Lumin

2016-12-01

A grand challenge in material science is to understand the correlation between intrinsic properties and defect dynamics. Radiation tolerant materials are in great demand for safe operation and advancement of nuclear and aerospace systems. Unlike traditional approaches that rely on microstructural and nanoscale features to mitigate radiation damage, this study demonstrates enhancement of radiation tolerance with the suppression of void formation by two orders magnitude at elevated temperatures in equiatomic single-phase concentrated solid solution alloys, and more importantly, reveals its controlling mechanism through a detailed analysis of the depth distribution of defect clusters and an atomistic computer simulation. The enhanced swelling resistance is attributed to the tailored interstitial defect cluster motion in the alloys from a long-range one-dimensional mode to a short-range three-dimensional mode, which leads to enhanced point defect recombination. The results suggest design criteria for next generation radiation tolerant structural alloys.

Time constant of defect relaxation in ion-irradiated 3C-SiC

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

Wallace, J. B.; Department of Nuclear Engineering, Texas A and M University, College Station, Texas 77843; Bayu Aji, L. B.

Above room temperature, the buildup of radiation damage in SiC is a dynamic process governed by the mobility and interaction of ballistically generated point defects. Here, we study the dynamics of radiation defects in 3C-SiC bombarded at 100 °C with 500 keV Ar ions, with the total ion dose split into a train of equal pulses. Damage–depth profiles are measured by ion channeling for a series of samples irradiated under identical conditions except for different durations of the passive part of the beam cycle. Results reveal an effective defect relaxation time constant of ∼3 ms (for second order kinetics) and a dynamicmore » annealing efficiency of ∼40% for defects in both Si and C sublattices. This demonstrates a crucial role of dynamic annealing at elevated temperatures and provides evidence of the strong coupling of defect accumulation processes in the two sublattices of 3C-SiC.« less

Time constant of defect relaxation in ion-irradiated 3 C-SiC

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

Wallace, J. B.; Bayu Aji, L. B.; Shao, L.

Above room temperature, the buildup of radiation damage in SiC is a dynamic process governed by the mobility and interaction of ballistically generated point defects. Here in this work, we study the dynamics of radiation defects in 3C-SiC bombarded at 100 °C with 500 keV Ar ions, with the total ion dose split into a train of equal pulses. Damage–depth profiles are measured by ion channeling for a series of samples irradiated under identical conditions except for different durations of the passive part of the beam cycle. Results reveal an effective defect relaxation time constant of ~3 ms (for secondmore » order kinetics) and a dynamic annealing efficiency of ~40% for defects in both Si and C sublattices. Finally, this demonstrates a crucial role of dynamic annealing at elevated temperatures and provides evidence of the strong coupling of defect accumulation processes in the two sublattices of 3C-SiC.« less

Effect of nickel on point defects diffusion in Fe – Ni alloys

DOE PAGES

Anento, Napoleon; Serra, Anna; Osetsky, Yury N.

2017-05-05

Iron-Nickel alloys are perspective alloys as nuclear energy structural materials because of their good radiation damage tolerance and mechanical properties. Understanding of experimentally observed features such as the effect of Ni content to radiation defects evolution is essential for developing predictive models of radiation. Recently an atomic-scale modelling study has revealed one particular mechanism of Ni effect related to the reduced mobility of clusters of interstitial atoms in Fe-Ni alloys. In this paper we present results of the microsecond-scale molecular dynamics study of point defects, i.e. vacancies and self-interstitial atoms, diffusion in Fe-Ni alloys. It is found that the additionmore » of Ni atoms affects diffusion processes: diffusion of vacancies is enhanced in the presence of Ni, whereas diffusion of interstitials is reduced and these effects increase at high Ni concentration and low temperature. As a result, the role of Ni solutes in radiation damage evolution in Fe-Ni alloys is discussed.« less

Oxygen diffusion in alpha-Al2O3. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Cawley, J. D.; Halloran, J. W.; Cooper, A. R.

1984-01-01

Oxygen self diffusion coefficients were determined in single crystal alpha-Al2O3 using the gas exchange technique. The samples were semi-infinite slabs cut from five different boules with varying background impurities. The diffusion direction was parallel to the c-axis. The tracer profiles were determined by two techniques, single spectrum proton activation and secondary ion mass spectrometry. The SIMS proved to be a more useful tool. The determined diffusion coefficients, which were insensitive to impurity levels and oxygen partial pressure, could be described by D = .00151 exp (-572kJ/RT) sq m/s. The insensitivities are discussed in terms of point defect clustering. Two independent models are consistent with the findings, the first considers the clusters as immobile point defect traps which buffer changes in the defect chemistry. The second considers clusters to be mobile and oxygen diffusion to be intrinsic behavior, the mechanism for oxygen transport involving neutral clusters of Schottky quintuplets.

Mechanical evaluation of anastomotic tension and patency in arteries.

PubMed

Zhang, F; Lineaweaver, W C; Buntic, R; Walker, R

1996-02-01

This study quantified arterial anastomotic tension, evaluated subsequent patency rates, and examined the degree of tension reduction with vessel mobilization. The study was divided into two components. In part I, a mechanical analysis was undertaken to evaluate tension, based on the determination of the force required to deflect a cable (vessel) laterally, and its resulting lateral displacement. Six Sprague-Dawley rats with 12 femoral arteries were divided into two subgroups: 1) no mobilization; and 2) axial mobilization by ligation and transection of superficial epigastric and gracilis muscular branches. The tension of femoral arterial anastomoses was calculated in vessels with no segmental defect and with 1.5-, 3-, 4.5-, 6-, and 7.5-mm defects. In part II, patency was evaluated. Fifty-five rats with 110 femoral arteries were divided into two sub-groups as defined in part I: 1) no mobilization; and 2) axial mobilization by ligation and transection of superficial epigastric and gracilis muscular branches. Microvascular anastomoses were performed with no segmental defect and with 1-, 2-, 3-, 4-, 5-, 6-, 7-, 8-, 9-, and 10-mm segmental vessel defects. Patency was evaluated 24 hr postoperatively. Part I of the study revealed that anastomotic tension gradually increased along with an increase in the length of the vessel defect, from 1.9 to 11.34 g in the no-mobilization group and from 1.97 to 8.44 g in the axial-mobilization group. Comparison of tension linear regression coefficient showed a significant difference between the two groups (p < 0.05). In part II of the study, the maximum length of femoral artery defects still able to maintain 100 percent patency of anastomoses was 4 mm (tension approximately 6 g) in the no-mobilization group and 6 mm in the axial-mobilization group (tension approximately 6.48 g). Microanastomotic tension was related to the size of the vessel defect, with increasing tension leading to thrombosis. Axial mobilization significantly reduced the tension in vessels with segmental defects and decreased thrombosis rates.

Hydrogen mobility in transition zone silicates

NASA Astrophysics Data System (ADS)

Caracas, R.; Panero, W. R.

2016-12-01

Hydrogen defects in mantle silicates adopt a variety of charge-balanced defects, including VMg''+2(H*), VSi''''+4(H*), and VSi'+(Mg+2H*). Constraining the defect mechanism experimentally can be quite difficult, as it relies almost entirely on vibrational spectroscopy whose interpretation can often be controversial. Here we use a computational alternative: we study the above-mentioned defect mechanisms using molecular dynamics simulations based on the density-functional theory, in the VASP implementation. We perform isokinetical NVT simulations over a 1500 - 2500K temperature range using supercells containing 16 equivalent formula units of Mg2SiO4. Our results show that temperature has a tremendous effect on mobility. H is significantly more mobile when incorporated as VMg''+2H* defects than as hydrogarnet defects and that VMg''+2H* defects are more mobile in wadsleyite than ringwoodite. This result is the opposite from the proton conductivity inferences of Yoshino et al. [2008] and Huang et al [2006], as well as the observed increase in electrical conductivity with depth through the transition zone [e.g. Kuvshinov et al, 2005; Olsen 1998]. Over the simulation time of several tens of picoseconds the H travel over several lattice sites. However, during its path it spends a considerable amount of time pinned in the defect sites. The lowest mobility is for the VSi''''+4(H*) defect, where the H atoms remain inside the octahedron from which they replaced the Si.

Mobility and coalescence of stacking fault tetrahedra in Cu

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

Martínez, Enrique; Uberuaga, Blas P.

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

DOE PAGES

Martínez, Enrique; Uberuaga, Blas P.

2015-03-13

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

PubMed Central

Martínez, Enrique; Uberuaga, Blas P.

2015-01-01

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs can diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects. PMID:25765711

Enhancing radiation tolerance by controlling defect mobility and migration pathways in multicomponent single-phase alloys

DOE PAGES

Lu, Chenyang; Niu, Liangliang; Chen, Nanjun; ...

2016-12-15

A grand challenge in material science is to understand the correlation between intrinsic properties and defect dynamics. Radiation tolerant materials are in great demand for safe operation and advancement of nuclear and aerospace systems. Unlike traditional approaches that rely on microstructural and nanoscale features to mitigate radiation damage, this study demonstrates enhancement of radiation tolerance with the suppression of void formation by two orders magnitude at elevated temperatures in equiatomic single-phase concentrated solid solution alloys, and more importantly, reveals its controlling mechanism through a detailed analysis of the depth distribution of defect clusters and an atomistic computer simulation. The enhancedmore » swelling resistance is attributed to the tailored interstitial defect cluster motion in the alloys from a long-range one-dimensional mode to a short-range three-dimensional mode, which leads to enhanced point defect recombination. Finally, the results suggest design criteria for next generation radiation tolerant structural alloys.« less

Point defect stability in a semicoherent metallic interface

NASA Astrophysics Data System (ADS)

González, C.; Iglesias, R.; Demkowicz, M. J.

2015-02-01

We present a comprehensive density functional theory (DFT) -based study of different aspects of one vacancy and He impurity atom behavior at semicoherent interfaces between the low-solubility transition metals Cu and Nb. Such interfaces have not been previously modeled using DFT. A thorough analysis of the stability and mobility of the two types of defects at the interfaces and neighboring internal layers has been performed and the results have been compared to the equivalent cases in the pure metallic matrices. The different behavior of fcc and bcc metals on both sides of the interface has been specifically assessed. The modeling effort undertaken is the first attempt to study the stability and defect energetics of noncoherent Cu/Nb interfaces from first principles, in order to assess their potential use in radiation-resistant materials.

Imaging Gallium Nitride High Electron Mobility Transistors to Identify Point Defects

DTIC Science & Technology

2014-03-01

streamline the sample preparation procedure to maximize the yield of successful samples to be analyzed chemically in an energy dispersive spectrometry...transmission electron microscope (STEM), sample preparation 15. NUMBER OF PAGES 103 16. PRICE CODE 17. SECURITY CLASSIFICATION OF REPORT...Computer Engineering iii THIS PAGE INTENTIONALLY LEFT BLANK iv ABSTRACT The purpose of this thesis is to streamline the sample preparation

Effects of crystallization interfaces on irradiated ferroelectric thin films

NASA Astrophysics Data System (ADS)

Brewer, S. J.; Williams, S. C.; Cress, C. D.; Bassiri-Gharb, N.

2017-11-01

This work investigates the role of crystallization interfaces and chemical heterogeneity in the radiation tolerance of chemical solution-deposited lead zirconate titanate (PZT) thin films. Two sets of PZT thin films were fabricated with crystallization performed at (i) every deposited layer or (ii) every three layers. The films were exposed to a range of 60Co gamma radiation doses, between 0.2 and 20 Mrad, and their functional response was compared before and after irradiation. The observed trends indicate enhancements of dielectric, ferroelectric, and piezoelectric responses at low radiation doses and degradation of the same at higher doses. Response enhancements are expected to result from low-dose (≤2 Mrad), ionizing radiation-induced charging of internal interfaces—an effect that results in neutralization of pre-existing internal bias in the samples. At higher radiation doses (>2 Mrad), accumulation and self-ordering of radiation-modified, mobile, oxygen vacancy-related defects contribute to degradation of dielectric, ferroelectric, and piezoelectric properties, exacerbated in the samples with more crystallization layers, potentially due to increased defect accumulation at these internal interfaces. These results suggest that the interaction between radiation and crystallization interfaces is multifaceted—the effects of ionization, domain wall motion, point defect mobility, and microstructure are considered.

Molecular Dynamics in the Crystalline Regions of Poly(ethylene oxide) Containing a Well-Defined Point Defect in the Middle of the Polymer Chain.

PubMed

Golitsyn, Yury; Pulst, Martin; Kressler, Jörg; Reichert, Detlef

2017-05-04

The chain mobility in crystals of a homopolymer of poly(ethylene oxide) (PEO) with 22 monomer units (PEO 22 ) is compared with that of a PEO having the identical number of monomer units but additionally a 1,4-disubstituted 1,2,3-triazole (TR) point defect in the middle of the chain (PEO 11 -TR-PEO 11 ). In crystals of PEO 22 , the characteristic α c -relaxation (helix jumps) is detected and the activation energy of this process is calculated from the pure crystalline 1 H FIDs to 67 kJ/mol. PEO 11 -TR-PEO 11 exhibits a more complex behavior, i.e. a transition into the high temperature phase HTPh is noticed during heating in the temperature range between -5 and 10 °C which is attributed to the incorporation of the TR ring into the crystalline lamellae. The crystal mobility of the low temperature phase LTPh of PEO 11 -TR-PEO 11 is in good agreement with PEO 22 since helical jump motions could also be detected by analysis of the 1 H FIDs and the corresponding values of their second moments M 2 . In contrast, the high temperature phase of PEO 11 -TR-PEO 11 shows a completely different behavior of the crystal mobility. The crystalline PEO chains are rigid in this HTPh on the time scale of both, the 1 H time-domain technique and in 13 C MAS CODEX NMR spectroscopy, i.e. the α c -mobility of PEO in the HTPh of PEO 11 -TR-PEO 11 is completely suppressed and the PEO 11 chains are converted into a crystal-fixed polymer due to the incorporation of the TR rings into the crystal structure. However, the TR defect of PEO 11 -TR-PEO 11 shows in the HTPh characteristic π-flip motions with an Arrhenius type activation energy of 223 kJ/mol measured by dielectric relaxation spectroscopy. This motion cannot be observed by corresponding 13 C MAS CODEX NMR measurements due to an interfering spin-dynamic effect.

Hydrogen mobility in transition zone silicates

NASA Astrophysics Data System (ADS)

Caracas, Razvan; Panero, Wendy R.

2017-12-01

We study the hydrogen mobility in ringwoodite and wadsleyite considering multiple charge-balanced defects, including Mg < = > 2H, Si < = > Mg + 2H, and the hydrogarnet defect, Si < = > 4H, using molecular dynamics simulations based on the density functional theory at transition zone pressures and temperatures between 1500 and 2500 K. We determine the diffusion coefficients and study in detail the mechanism of hydrogen mobility during lengthy simulations. Our results show that temperature, water concentration, and defect mechanism have a significant effect on mobility. We find that the fastest diffusion is for the Mg < = > 2H defect, while H is more mobile when incorporated as Si < = > Mg + 2H than as hydrogarnet defects. The computed diffusivities for ringwoodite are larger than for wadsleyite: at 2000 K, diffusivity is 1.13 × 10-09 m2/s for ringwoodite compared to 0.93 × 10-09 m2/s for wadsleyite. In general, the hydrogen atoms spend on the order of tens of picoseconds or more trapped in or around the vacancy sites with net migration between sites over timescales of tens of femtoseconds. At 2500 K, some of these hydrogen excursions take place over several angstroms, while at 2000 K, they do not always result in net diffusion. At 1500 K, most of the defects fail to make excursions from their defect sites resulting in diffusion.

Intrinsic point-defect balance in self-ion-implanted ZnO.

PubMed

Neuvonen, Pekka T; Vines, Lasse; Svensson, Bengt G; Kuznetsov, Andrej Yu

2013-01-04

The role of excess intrinsic atoms for residual point defect balance has been discriminated by implanting Zn or O ions into Li-containing ZnO and monitoring Li redistribution and electrical resistivity after postimplant anneals. Strongly Li-depleted regions were detected in the Zn-implanted samples at depths beyond the projected range (R(p)) upon annealing ≥ 600 °C, correlating with a resistivity decrease. In contrast, similar anneals of the O-implanted samples resulted in Li accumulation at R(p) and an increased resistivity. Control samples implanted with Ar or Ne ions, yielding similar defect production as for the Zn or O implants but with no surplus of intrinsic atoms, revealed no Li depletion. Thus, the depletion of Li shows evidence of excess Zn interstitials (Zn(I)) being released during annealing of the Zn-implanted samples. These Zn(I)'s convert substitutional Li atoms (Li(Zn)) into highly mobile interstitial ones leading to the strongly Li-depleted regions. In the O-implanted samples, the high resistivity provides evidence of stable O(I)-related acceptors.

30 CFR 57.14100 - Safety defects; examination, correction and records.

Code of Federal Regulations, 2010 CFR

2010-07-01

... NONMETAL MINES Machinery and Equipment Safety Devices and Maintenance Requirements § 57.14100 Safety defects; examination, correction and records. (a) Self-propelled mobile equipment to be used during a... persons, the defective items including self-propelled mobile equipment shall be taken out of service and...

30 CFR 56.14100 - Safety defects; examination, correction and records.

Code of Federal Regulations, 2010 CFR

2010-07-01

... MINES Machinery and Equipment Safety Devices and Maintenance Requirements § 56.14100 Safety defects; examination, correction and records. (a) Self-propelled mobile equipment to be used during a shift shall be... defective items including self-propelled mobile equipment shall be taken out of service and placed in a...

Clusters of Point Defects Near Dislocations as a Tool to Control CdZnTe Electrical Parameters by Ultrasound

NASA Astrophysics Data System (ADS)

Olikh, Ya. M.; Tymochko, M. D.; Olikh, O. Ya.; Shenderovsky, V. A.

2018-05-01

We studied the temperature dependence (77-300 K) of the electron concentration and mobility using the Hall method under ultrasound (the acoustic Hall method) to determine the mechanisms by which ultrasound influences the electrical activity of near-dislocation clusters in n-type low-ohmic Cd1-x Zn x Te single crystals (N Cl ≈ 1024 m-3; x = 0; 0.04) with different dislocation density (0.4-5.1) × 1010 m-2. Changes in electrophysical parameters were found to occur as a function of temperature and ultrasound intensity. To evaluate the relative contribution of different charge carrier scattering mechanisms (lattice scattering, ionized impurity scattering, neutral impurity scattering, and dislocation scattering) and their change under ultrasound, a differential evolution method was used. This method made it possible to analyze experimental mobility μ H(T) by its nonlinear approximation with characteristic temperature dependence for each mechanism. An increase in neutral impurity scattering and a decrease in ionized impurity and dislocation scattering components were observed under ultrasound. The character and the amount of these acoustically induced changes correlate with particular sample dislocation characteristics. It was concluded that the observed effects are related to the acoustically induced transformation of the point-defect structure, mainly in the near dislocation crystal regions.

Unfolding grain size effects in barium titanate ferroelectric ceramics

PubMed Central

Tan, Yongqiang; Zhang, Jialiang; Wu, Yanqing; Wang, Chunlei; Koval, Vladimir; Shi, Baogui; Ye, Haitao; McKinnon, Ruth; Viola, Giuseppe; Yan, Haixue

2015-01-01

Grain size effects on the physical properties of polycrystalline ferroelectrics have been extensively studied for decades; however there are still major controversies regarding the dependence of the piezoelectric and ferroelectric properties on the grain size. Dense BaTiO3 ceramics with different grain sizes were fabricated by either conventional sintering or spark plasma sintering using micro- and nano-sized powders. The results show that the grain size effect on the dielectric permittivity is nearly independent of the sintering method and starting powder used. A peak in the permittivity is observed in all the ceramics with a grain size near 1 μm and can be attributed to a maximum domain wall density and mobility. The piezoelectric coefficient d33 and remnant polarization Pr show diverse grain size effects depending on the particle size of the starting powder and sintering temperature. This suggests that besides domain wall density, other factors such as back fields and point defects, which influence the domain wall mobility, could be responsible for the different grain size dependence observed in the dielectric and piezoelectric/ferroelectric properties. In cases where point defects are not the dominant contributor, the piezoelectric constant d33 and the remnant polarization Pr increase with increasing grain size. PMID:25951408

Complete p-type activation in vertical-gradient freeze GaAs co-implanted with gallium and carbon

NASA Astrophysics Data System (ADS)

Horng, S. T.; Goorsky, M. S.

1996-03-01

High-resolution triple-axis x-ray diffractometry and Hall-effect measurements were used to characterize damage evolution and electrical activation in gallium arsenide co-implanted with gallium and carbon ions. Complete p-type activation of GaAs co-implanted with 5×1014 Ga cm-2 and 5×1014 C cm-2 was achieved after rapid thermal annealing at 1100 °C for 10 s. X-ray diffuse scattering was found to increase after rapid thermal annealing at 600-900 °C due to the aggregation of implantation-induced point defects. In this annealing range, there was ˜10%-72% activation. After annealing at higher annealing temperatures, the diffuse scattered intensity decreased drastically; samples that had been annealed at 1000 °C (80% activated) and 1100 °C (˜100% activated) exhibited reciprocal space maps that were indicative of high crystallinity. The hole mobility was about 60 cm2/V s for all samples annealed at 800 °C and above, indicating that the crystal perfection influences dopant activation more strongly than it influences mobility. Since the high-temperature annealing simultaneously increases dopant activation and reduces x-ray diffuse scattering, we conclude that point defect complexes which form at lower annealing temperatures are responsible for both the diffuse scatter and the reduced activation.

The efficacy of a novel mobile phone application for goldmann ptosis visual field interpretation.

PubMed

Maamari, Robi N; D'Ambrosio, Michael V; Joseph, Jeffrey M; Tao, Jeremiah P

2014-01-01

To evaluate the efficacy of a novel mobile phone application that calculates superior visual field defects on Goldmann visual field charts. Experimental study in which the mobile phone application and 14 oculoplastic surgeons interpreted the superior visual field defect in 10 Goldmann charts. Percent error of the mobile phone application and the oculoplastic surgeons' estimates were calculated compared with computer software computation of the actual defects. Precision and time efficiency of the application were evaluated by processing the same Goldmann visual field chart 10 repeated times. The mobile phone application was associated with a mean percent error of 1.98% (95% confidence interval[CI], 0.87%-3.10%) in superior visual field defect calculation. The average mean percent error of the oculoplastic surgeons' visual estimates was 19.75% (95% CI, 14.39%-25.11%). Oculoplastic surgeons, on average, underestimated the defect in all 10 Goldmann charts. There was high interobserver variance among oculoplastic surgeons. The percent error of the 10 repeated measurements on a single chart was 0.93% (95% CI, 0.40%-1.46%). The average time to process 1 chart was 12.9 seconds (95% CI, 10.9-15.0 seconds). The mobile phone application was highly accurate, precise, and time-efficient in calculating the percent superior visual field defect using Goldmann charts. Oculoplastic surgeon visual interpretations were highly inaccurate, highly variable, and usually underestimated the field vision loss.

A Theoretical Simulation of the Radiation Responses of Si, Ge, and Si/Ge Superlattice to Low-Energy Irradiation.

PubMed

Jiang, Ming; Xiao, Haiyan; Peng, Shuming; Yang, Guixia; Liu, Zijiang; Qiao, Liang; Zu, Xiaotao

2018-05-02

In this study, the low-energy radiation responses of Si, Ge, and Si/Ge superlattice are investigated by an ab initio molecular dynamics method and the origins of their different radiation behaviors are explored. It is found that the radiation resistance of the Ge atoms that are around the interface of Si/Ge superlattice is comparable to bulk Ge, whereas the Si atoms around the interface are more difficult to be displaced than the bulk Si, showing enhanced radiation tolerance as compared with the bulk Si. The mechanisms for defect generation in the bulk and superlattice structures show somewhat different character, and the associated defects in the superlattice are more complex. Defect formation and migration calculations show that in the superlattice structure, the point defects are more difficult to form and the vacancies are less mobile. The enhanced radiation tolerance of the Si/Ge superlattice will benefit for its applications as electronic and optoelectronic devices under radiation environment.

A Theoretical Simulation of the Radiation Responses of Si, Ge, and Si/Ge Superlattice to Low-Energy Irradiation

NASA Astrophysics Data System (ADS)

Jiang, Ming; Xiao, Haiyan; Peng, Shuming; Yang, Guixia; Liu, Zijiang; Qiao, Liang; Zu, Xiaotao

2018-05-01

In this study, the low-energy radiation responses of Si, Ge, and Si/Ge superlattice are investigated by an ab initio molecular dynamics method and the origins of their different radiation behaviors are explored. It is found that the radiation resistance of the Ge atoms that are around the interface of Si/Ge superlattice is comparable to bulk Ge, whereas the Si atoms around the interface are more difficult to be displaced than the bulk Si, showing enhanced radiation tolerance as compared with the bulk Si. The mechanisms for defect generation in the bulk and superlattice structures show somewhat different character, and the associated defects in the superlattice are more complex. Defect formation and migration calculations show that in the superlattice structure, the point defects are more difficult to form and the vacancies are less mobile. The enhanced radiation tolerance of the Si/Ge superlattice will benefit for its applications as electronic and optoelectronic devices under radiation environment.

Density functional theory study of dopant effect on formation energy of intrinsic point defects in germanium crystals

NASA Astrophysics Data System (ADS)

Yamaoka, S.; Kobayashi, K.; Sueoka, K.; Vanhellemont, J.

2017-09-01

During the last decade the use of single crystal germanium (Ge) layers and structures in combination with silicon (Si) substrates has led to a revival of defect research on Ge. Ge is used because of the much higher carrier mobility compared to Si, allowing to design devices operating at much higher frequencies. A major issue for the use of Ge single crystal wafers is the fact that all Czochralski-grown Ge (CZ-Ge) crystals are vacancy-rich and contain vacancy clusters that are much larger than the ones in Si. In contrast to Si, control of intrinsic point defect concentrations has not yet been realized at the same level in Ge crystals due to the lack of experimental data especially on dopant effects. In this study, we have evaluated with density functional theory (DFT) calculations the dopant effect on the formation energy (Ef) of the uncharged vacancy (V) and self-interstitial (I) in Ge and compared the results with those for Si. The dependence of the total thermal equilibrium concentrations of point defects (sum of free V or I and V or I paired with dopant atoms) at melting temperature on the type and concentration of various dopants is obtained. It was found that (1) Ge crystals will be more V-rich by Tl, In, Sb, Sn, As and P doping, (2) Ge crystals will be more I-rich by Ga, C and B doping, (3) Si doping has negligible impact. The dopant impact on Ef of V and I in Ge has a narrower range and is smaller than that in Si. The obtained results are useful to control grown-in V and I concentrations, and will perhaps also allow to develop defect-free ;perfect; Ge crystals.

An analysis of point defects induced by In, Al, Ni, and Sn dopants in Bridgman-grown CdZnTe detectors and their influence on trapping of charge carriers

DOE PAGES

Gul, R.; Roy, U. N.; James, R. B.

2017-03-15

In this paper, we studied point defects induced in Bridgman-grown CdZnTe detectors doped with Indium (In), Aluminium (Al), Nickel (Ni), and Tin (Sn). Point defects associated with different dopants were observed, and these defects were analyzed in detail for their contributions to electron/hole (e/h) trapping. We also explored the correlations between the nature and abundance of the point defects with their influence on the resistivity, electron mobility-lifetime (μτ e) product, and electron trapping time. We used current-deep level transient spectroscopy to determine the energy, capture cross-section, and concentration of each trap. Furthermore, we used the data to determine the trappingmore » and de-trapping times for the charge carriers. In In-doped CdZnTe detectors, uncompensated Cd vacancies (V Cd -) were identified as a dominant trap. The V Cd - were almost compensated in detectors doped with Al, Ni, and Sn, in addition to co-doping with In. Dominant traps related to the dopant were found at E v + 0.36 eV and E v + 1.1 eV, E c + 76 meV and E v + 0.61 eV, E v + 36 meV and E v + 0.86 eV, E v + 0.52 eV and E c + 0.83 eV in CZT:In, CZT:In + Al, CZT:In + Ni, and CZT:In + Sn, respectively. Results indicate that the addition of other dopants with In affects the type, nature, concentration (N t), and capture cross-section (σ) and hence trapping (t t) and de-trapping (t dt) times. Finally, the dopant-induced traps, their corresponding concentrations, and charge capture cross-section play an important role in the performance of radiation detectors, especially for devices that rely solely on electron transport.« less

An analysis of point defects induced by In, Al, Ni, and Sn dopants in Bridgman-grown CdZnTe detectors and their influence on trapping of charge carriers

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

Gul, R.; Roy, U. N.; James, R. B.

In this paper, we studied point defects induced in Bridgman-grown CdZnTe detectors doped with Indium (In), Aluminium (Al), Nickel (Ni), and Tin (Sn). Point defects associated with different dopants were observed, and these defects were analyzed in detail for their contributions to electron/hole (e/h) trapping. We also explored the correlations between the nature and abundance of the point defects with their influence on the resistivity, electron mobility-lifetime (μτ e) product, and electron trapping time. We used current-deep level transient spectroscopy to determine the energy, capture cross-section, and concentration of each trap. Furthermore, we used the data to determine the trappingmore » and de-trapping times for the charge carriers. In In-doped CdZnTe detectors, uncompensated Cd vacancies (V Cd -) were identified as a dominant trap. The V Cd - were almost compensated in detectors doped with Al, Ni, and Sn, in addition to co-doping with In. Dominant traps related to the dopant were found at E v + 0.36 eV and E v + 1.1 eV, E c + 76 meV and E v + 0.61 eV, E v + 36 meV and E v + 0.86 eV, E v + 0.52 eV and E c + 0.83 eV in CZT:In, CZT:In + Al, CZT:In + Ni, and CZT:In + Sn, respectively. Results indicate that the addition of other dopants with In affects the type, nature, concentration (N t), and capture cross-section (σ) and hence trapping (t t) and de-trapping (t dt) times. Finally, the dopant-induced traps, their corresponding concentrations, and charge capture cross-section play an important role in the performance of radiation detectors, especially for devices that rely solely on electron transport.« less

Charge transport model in solid-state avalanche amorphous selenium and defect suppression design

NASA Astrophysics Data System (ADS)

Scheuermann, James R.; Miranda, Yesenia; Liu, Hongyu; Zhao, Wei

2016-01-01

Avalanche amorphous selenium (a-Se) in a layer of High Gain Avalanche Rushing Photoconductor (HARP) is being investigated for its use in large area medical imagers. Avalanche multiplication of photogenerated charge requires electric fields greater than 70 V μm-1. For a-Se to withstand this high electric field, blocking layers are used to prevent the injection of charge carriers from the electrodes. Blocking layers must have a high injection barrier and deep trapping states to reduce the electric field at the interface. In the presence of a defect in the blocking layer, a distributed resistive layer (DRL) must be included into the structure to build up space charge and reduce the electric field in a-Se and the defect. A numerical charge transport model has been developed to optimize the properties of blocking layers used in various HARP structures. The model shows the incorporation of a DRL functionality into the p-layer can reduce dark current at a point defect by two orders of magnitude by reducing the field in a-Se to the avalanche threshold. Hole mobility in a DRL of ˜10-8 cm2 V-1 s-1 at 100 V μm-1 as demonstrated by the model can be achieved experimentally by varying the hole mobility of p-type organic or inorganic semiconductors through doping, e.g., using Poly(9-vinylcarbozole) doped with 1%-3% (by weight) of poly(3-hexylthiopene).

Point defects at the ice (0001) surface

PubMed Central

Watkins, Matthew; VandeVondele, Joost; Slater, Ben

2010-01-01

Using density functional theory we investigate whether intrinsic defects in ice surface segregate. We predict that hydronium, hydroxide, and the Bjerrum L- and D-defects are all more stable at the surface. However, the energetic cost to create a D-defect at the surface and migrate it into the bulk crystal is smaller than its bulk formation energy. Absolute and relative segregation energies are sensitive to the surface structure of ice, especially the spatial distribution of protons associated with dangling hydrogen bonds. It is found that the basal plane surface of hexagonal ice increases the bulk concentration of Bjerrum defects, strongly favoring D-defects over L-defects. Dangling protons associated with undercoordinated water molecules are preferentially injected into the crystal bulk as Bjerrum D-defects, leading to a surface dipole that attracts hydronium ions. Aside from the disparity in segregation energies for the Bjerrum defects, we find the interactions between defect species to be very finely balanced; surface segregation energies for hydronium and hydroxide species and trapping energies of these ionic species with Bjerrum defects are equal within the accuracy of our calculations. The mobility of the ionic hydronium and hydroxide species is greatly reduced at the surface in comparison to the bulk due to surface sites with high trapping affinities. We suggest that, in pure ice samples, the surface of ice will have an acidic character due to the presence of hydronium ions. This may be important in understanding the reactivity of ice particulates in the upper atmosphere and at the boundary layer. PMID:20615938

Vision-related fitness to drive mobility scooters: A practical driving test.

PubMed

Cordes, Christina; Heutink, Joost; Tucha, Oliver M; Brookhuis, Karel A; Brouwer, Wiebo H; Melis-Dankers, Bart J M

2017-03-06

To investigate practical fitness to drive mobility scooters, comparing visually impaired participants with healthy controls. Between-subjects design. Forty-six visually impaired (13 with very low visual acuity, 10 with low visual acuity, 11 with peripheral field defects, 12 with multiple visual impairment) and 35 normal-sighted controls. Participants completed a practical mobility scooter test-drive, which was recorded on video. Two independent occupational therapists specialized in orientation and mobility evaluated the videos systematically. Approximately 90% of the visually impaired participants passed the driving test. On average, participants with visual impairments performed worse than normal-sighted controls, but were judged sufficiently safe. In particular, difficulties were observed in participants with peripheral visual field defects and those with a combination of low visual acuity and visual field defects. People with visual impairment are, in practice, fit to drive mobility scooters; thus visual impairment on its own should not be viewed as a determinant of safety to drive mobility scooters. However, special attention should be paid to individuals with visual field defects with or without a combined low visual acuity. The use of an individual practical fitness-to-drive test is advised.

Shoulder reconstruction after tumor resection by pedicled scapular crest graft.

PubMed

Amin, Sherif N; Ebeid, Walid A

2002-04-01

The current authors present and evaluate a technique for reconstructing proximal humeral defects that result after resection of malignant bone tumors. Sixteen patients were included in this study with an average followup of 3 years (range, 12-76 months). Twelve patients had intraarticular resections, two had extraarticular resections, and two had intercalary resections. Reconstruction was done at the lateral border of the scapula (based on the circumflex scapular vessels) that was osteotomized and mobilized to bridge the resultant defect. Shoulder arthrodesis was done in 14 patients and the shoulder was spared in the two patients who had intercalary resections. Function was evaluated according to the Musculoskeletal Tumor Society scoring system. The average time for union of the graft proximally and distally was 6 months after which the graft started to hypertrophy. The average functional score was 22.5 points (75%) with a minimum score of 18 points (60%) and a maximum score of 27 points (90%). Nonunion of the distal host-graft junction occurred in two patients; both patients required iliac crest bone grafting and both achieved clinical and radiographic union without additional intervention. In three patients, the proximal fixation became loose but had no effect on function. The authors conclude that this technique is inexpensive, effective, and a durable reconstructive option for proximal humeral defects that are less than 15 cm. It has a predictable functional outcome (60%-90%) that is comparable with other reconstructive options.

Graphene Dirac point tuned by ferroelectric polarization field

NASA Astrophysics Data System (ADS)

Wang, Xudong; Chen, Yan; Wu, Guangjian; Wang, Jianlu; Tian, Bobo; Sun, Shuo; Shen, Hong; Lin, Tie; Hu, Weida; Kang, Tingting; Tang, Minghua; Xiao, Yongguang; Sun, Jinglan; Meng, Xiangjian; Chu, Junhao

2018-04-01

Graphene has received numerous attention for future nanoelectronics and optoelectronics. The Dirac point is a key parameter of graphene that provides information about its carrier properties. There are lots of methods to tune the Dirac point of graphene, such as chemical doping, impurities, defects, and disorder. In this study, we report a different approach to tune the Dirac point of graphene using a ferroelectric polarization field. The Dirac point can be adjusted to near the ferroelectric coercive voltage regardless its original position. We have ensured this phenomenon by temperature-dependent experiments, and analyzed its mechanism with the theory of impurity correlation in graphene. Additionally, with the modulation of ferroelectric polymer, the current on/off ratio and mobility of graphene transistor both have been improved. This work provides an effective method to tune the Dirac point of graphene, which can be readily used to configure functional devices such as p-n junctions and inverters.

High p-type doping, mobility, and photocarrier lifetime in arsenic-doped CdTe single crystals

NASA Astrophysics Data System (ADS)

Nagaoka, Akira; Kuciauskas, Darius; McCoy, Jedidiah; Scarpulla, Michael A.

2018-05-01

Group-V element doping is promising for simultaneously maximizing the hole concentration and minority carrier lifetime in CdTe for thin film solar cells, but there are roadblocks concerning point defects including the possibility of self-compensation by AX metastability. Herein, we report on doping, lifetime, and mobility of CdTe single crystals doped with As between 1016 and 1020 cm-3 grown from the Cd solvent by the travelling heater method. Evidence consistent with AX instability as a major contributor to compensation in samples doped below 1017 cm-3 is presented, while for higher-doped samples, precipitation of a second phase on planar structural defects is also observed and may explain spatial variation in properties such as lifetime. Rapid cooling after crystal growth increases doping efficiency and mobility for times up to 20-30 days at room temperature with the highest efficiencies observed close to 45% and a hole mobility of 70 cm2/Vs at room temperature. A doping limit in the low 1017/cm3 range is observed for samples quenched at 200-300 °C/h. Bulk minority carrier lifetimes exceeding 20 ns are observed for samples doped near 1016 cm-3 relaxed in the dark and for unintentionally doped samples, while a lifetime of nearly 5 ns is observed for 1018 cm-3 As doping. These results help us to establish limits on properties expected for group-V doped CdTe polycrystalline thin films for use in photovoltaics.

The effects of cation–anion clustering on defect migration in MgAl 2O 4

DOE PAGES

Zamora, Richard J.; Voter, Arthur F.; Perez, Danny; ...

2016-06-28

Magnesium aluminate spinel (MgAl 2O 4), like many other ceramic materials, offers a range of technological applications, from nuclear reactor materials to military body armor. For many of these applications, it is critical to understand both the formation and evolution of lattice defects throughout the lifetime of the material. We use the Speculatively Parallel Temperature Accelerated Dynamics (SpecTAD) method to investigate the effects of di-vacancy and di-interstitial formation on the mobility of the component defects. From long-time trajectories of the state-to-state dynamics, we characterize the migration pathways of defect clusters, and calculate their self-diffusion constants across a range of temperatures.more » We find that the clustering of Al and O vacancies drastically reduces the mobility of both defects, while the clustering of Mg and O vacancies completely immobilizes them. For interstitials, we find that the clustering of Mg and O defects greatly reduces O interstitial mobility, but has only a weak effect on Mg. Lastly, these findings illuminate important new details regarding defect kinetics relevant to the application of MgAl 2O 4 in extreme environments.« less

Irradiation defect dispersions and effective dislocation mobility in strained ferritic grains: A statistical analysis based on 3D dislocation dynamics simulations

NASA Astrophysics Data System (ADS)

Li, Y.; Robertson, C.

2018-06-01

The influence of irradiation defect dispersions on plastic strain spreading is investigated by means of three-dimensional dislocation dynamics (DD) simulations, accounting for thermally activated slip and cross-slip mechanisms in Fe-2.5%Cr grains. The defect-induced evolutions of the effective screw dislocation mobility are evaluated by means of statistical comparisons, for various defect number density and defect size cases. Each comparison is systematically associated with a quantitative Defect-Induced Apparent Straining Temperature shift (or «ΔDIAT»), calculated without any adjustable parameters. In the investigated cases, the ΔDIAT level associated with a given defect dispersion closely replicates the measured ductile to brittle transition temperature shift (ΔDBTT) due to the same, actual defect dispersion. The results are further analyzed in terms of dislocation-based plasticity mechanisms and their possible relations with the dose-dependent changes of the ductile to brittle transition temperature.

Effects of fO2, fH2O and aoxide on formation and density of extended planar defects in olivine

NASA Astrophysics Data System (ADS)

Burgess, K.; Cooper, R. F.

2011-12-01

Melt inclusions are used in geochemistry to inform our understanding of many physiochemical processes taking place in the mantle, such as melting, melt-rock interactions and magma mixing. Fundamental to this interpretation of melt inclusions is the assumption that they act as closed systems, i.e., they are chemically isolated after trapping and preserve primitive magma compositions. However, recent work indicates that volatiles (e.g., H and F) can be rapidly reset [Portnyagin et al., 2008], and the diffusion mechanisms and rates in tracer diffusion experiments, specifically of REEs, are a matter of some debate [Spandler and O'Neill, 2010; Cherniak, 2010]. The compendium of observations and experiments suggests a role of planar extended defects in effecting and affecting diffusion kinetics in olivine. Planar extended defects are the exothermic condensation of charged point defects into two-dimensional structures, their third dimension insufficient (i.e., sub-unit cell) to describe them as a unique phase. These planar defects, in a manner similar to mechanisms of "pipe" diffusion along dislocations and of grain boundary diffusion, can lead to measured diffusivities far greater than the lattice diffusivity, and their overall effect on flux is proportional to their spatial density [cf. Hart, 1957]. High-resolution TEM and AEM investigation of experimental olivine-basalt samples show the presence of planar defects near the olivine-melt interface, with the area fraction of the high-contrast defects in the images being greatest at high fO2 and/or fH2O while temperature has an effect on the defect dimensions but not total areal density. EDS analysis of the interface regions indicate high Ti/Ca and Ti/Al ratios compared to the glass; the stability of intercalated humite-type defects in olivine, a planar defect type found in some natural olivines [e.g., Risold et al., 2001; Hermann et al., 2007], is increased to higher temperature by the incorporation of Ti. Activities of oxides clearly affect the presence and density of the defects. Olivine-ilmenite experiments were also carried out in varying fO2 and fH2O conditions. Thermodynamic calculations for concentrations of point defects, defect association(s) and defect condensation in olivine can relate experimental data for measured diffusivities to discerning natural conditions where condensed-defect, fast-path diffusion in olivine could be significant. Planar extended defects can potentially play a role in the kinetics of deformation of olivine in the mantle, particularly as the condensation reaction lowers the activity of mobile point defects. Cherniak, Am. Mineral. 95 (2010) 362-368. Hart, Acta Met. 5 (1957) 597. Hermann et al., Contrib. Mineral. Petrol. 153 (2007) 417-428. Portnyagin et al., Earth Planet. Sci.Lett. 272 (2008) 541-552. Risold et al., Contrib. Mineral. Petrol. 142 (2001) 619-628. Spandler and O'Neill, Contrib. Mineral. Petrol. 159 (2010) 791-818.

Self healing of defected graphene

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

Chen, Jianhui; Shi, Tuwan; Cai, Tuocheng

For electronics applications, defects in graphene are usually undesirable because of their ability to scatter charge carriers, thereby reduce the carrier mobility. It would be extremely useful if the damage can be repaired. In this work, we employ Raman spectroscopy, X-ray photoemission spectroscopy, transmission electron microscopy, and electrical measurements to study defects in graphene introduced by argon plasma bombardment. We have found that majority of these defects can be cured by a simple thermal annealing process. The self-healing is attributed to recombination of mobile carbon adatoms with vacancies. With increasing level of plasma induced damage, the self-healing becomes less effective.

High p-type doping, mobility, and photocarrier lifetime in arsenic-doped CdTe single crystals

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

Nagaoka, Akira; Kuciauskas, Darius; McCoy, Jedidiah

Here, Group-V element doping is promising for simultaneously maximizing the hole concentration and minority carrier lifetime in CdTe for thin film solar cells, but there are roadblocks concerning point defects including the possibility of self-compensation by AX metastability. Herein, we report on doping, lifetime, and mobility of CdTe single crystals doped with As between 10 16 and 10 20 cm –3 grown from the Cd solvent by the travelling heater method. Evidence consistent with AX instability as a major contributor to compensation in samples doped below 10 17 cm –3 is presented, while for higher-doped samples, precipitation of a secondmore » phase on planar structural defects is also observed and may explain spatial variation in properties such as lifetime. Rapid cooling after crystal growth increases doping efficiency and mobility for times up to 20–30 days at room temperature with the highest efficiencies observed close to 45% and a hole mobility of 70 cm 2/Vs at room temperature. A doping limit in the low 10 17/cm 3 range is observed for samples quenched at 200–300 °C/h. Bulk minority carrier lifetimes exceeding 20 ns are observed for samples doped near 10 16 cm –3 relaxed in the dark and for unintentionally doped samples, while a lifetime of nearly 5 ns is observed for 10 18 cm –3 As doping. These results help us to establish limits on properties expected for group-V doped CdTe polycrystalline thin films for use in photovoltaics.« less

High p-type doping, mobility, and photocarrier lifetime in arsenic-doped CdTe single crystals

DOE PAGES

Nagaoka, Akira; Kuciauskas, Darius; McCoy, Jedidiah; ...

2018-05-07

Here, Group-V element doping is promising for simultaneously maximizing the hole concentration and minority carrier lifetime in CdTe for thin film solar cells, but there are roadblocks concerning point defects including the possibility of self-compensation by AX metastability. Herein, we report on doping, lifetime, and mobility of CdTe single crystals doped with As between 10 16 and 10 20 cm –3 grown from the Cd solvent by the travelling heater method. Evidence consistent with AX instability as a major contributor to compensation in samples doped below 10 17 cm –3 is presented, while for higher-doped samples, precipitation of a secondmore » phase on planar structural defects is also observed and may explain spatial variation in properties such as lifetime. Rapid cooling after crystal growth increases doping efficiency and mobility for times up to 20–30 days at room temperature with the highest efficiencies observed close to 45% and a hole mobility of 70 cm 2/Vs at room temperature. A doping limit in the low 10 17/cm 3 range is observed for samples quenched at 200–300 °C/h. Bulk minority carrier lifetimes exceeding 20 ns are observed for samples doped near 10 16 cm –3 relaxed in the dark and for unintentionally doped samples, while a lifetime of nearly 5 ns is observed for 10 18 cm –3 As doping. These results help us to establish limits on properties expected for group-V doped CdTe polycrystalline thin films for use in photovoltaics.« less

Fanca−/− hematopoietic stem cells demonstrate a mobilization defect which can be overcome by administration of the Rac inhibitor NSC23766

PubMed Central

Milsom, Michael D.; Lee, Andrew W.; Zheng, Yi; Cancelas, Jose A.

2009-01-01

Fanconi anemia is a severe bone marrow failure syndrome resulting from inactivating mutations of Fanconi anemia pathway genes. Gene and cell therapy trials using hematopoietic stem cells and progenitors have been hampered by poor mobilization of HSC to peripheral blood in response to G-CSF. Using a murine model of Fanconi anemia (Fanca−/− mice), we found that the Fanca deficiency was associated with a profound defect in hematopoietic stem cells and progenitors mobilization in response to G-CSF in absence of bone marrow failure, which correlates with the findings of clinical trials in Fanconi anemia patients. This mobilization defect was overcome by co-administration of the Rac inhibitor NSC23766, suggesting that Rac signaling is implicated in the retention of Fanca−/− hematopoietic stem cells and progenitors in the bone marrow. In view of these data, we propose that targeting Rac signaling may enhance G-CSF-induced HSC mobilization in Fanconi anemia. PMID:19491337

Fanca-/- hematopoietic stem cells demonstrate a mobilization defect which can be overcome by administration of the Rac inhibitor NSC23766.

PubMed

Milsom, Michael D; Lee, Andrew W; Zheng, Yi; Cancelas, Jose A

2009-07-01

Fanconi anemia is a severe bone marrow failure syndrome resulting from inactivating mutations of Fanconi anemia pathway genes. Gene and cell therapy trials using hematopoietic stem cells and progenitors have been hampered by poor mobilization of HSC to peripheral blood in response to G-CSF. Using a murine model of Fanconi anemia (Fanca(-/-) mice), we found that the Fanca deficiency was associated with a profound defect in hematopoietic stem cells and progenitors mobilization in response to G-CSF in absence of bone marrow failure, which correlates with the findings of clinical trials in Fanconi anemia patients. This mobilization defect was overcome by co-administration of the Rac inhibitor NSC23766, suggesting that Rac signaling is implicated in the retention of Fanca(-/-) hematopoietic stem cells and progenitors in the bone marrow. In view of these data, we propose that targeting Rac signaling may enhance G-CSF-induced HSC mobilization in Fanconi anemia.

Poor Mobilization in T-Cell-Deficient Nude Mice is Explained by Defective Activation of Granulocytes and Monocytes

PubMed Central

Wysoczynski, Marcin; Adamiak, Mateusz; Suszynska, Malwina; Abdel-Latif, Ahmed; Ratajczak, Janina; Ratajczak, Mariusz Z.

2017-01-01

It has been reported that both SCID mice and SCID patients poorly mobilize hematopoietic stem/progenitor cells (HSPCs) in response to granulocyte colony-stimulating factor (G-CSF). This defect has been proposed to result from a lack of naturally occurring IgM immunoglobulins to trigger activation of the complement cascade (ComC) and release of C5 cleavage fragments crucial in the mobilization process. However, SCID individuals also have T-cell deficiency, and T cells have been shown to modulate trafficking of HSPCs. To learn more about the role of T lymphocytes, we performed mobilization studies in T-lymphocyte-deficient nude mice and found that these mice respond poorly to G-CSF and zymosan but are normal mobilizers in response to AMD3100. Since nude mice have normal levels of IgM immunoglobulins in peripheral blood and may activate the ComC, we focused on the potential involvement of Gr1+ granulocytes and monocytes, which show defective maturation in these animals. Using a nude mouse mobilization model, we found further support for the proposition that proper function of Gr1+ cells is crucial for optimal mobilization of HSPCs. PMID:27436627

Poor Mobilization in T-Cell-Deficient Nude Mice Is Explained by Defective Activation of Granulocytes and Monocytes.

PubMed

Wysoczynski, Marcin; Adamiak, Mateusz; Suszynska, Malwina; Abdel-Latif, Ahmed; Ratajczak, Janina; Ratajczak, Mariusz Z

2017-01-24

It has been reported that both SCID mice and SCID patients poorly mobilize hematopoietic stem/progenitor cells (HSPCs) in response to granulocyte colony-stimulating factor (G-CSF). This defect has been proposed to result from a lack of naturally occurring IgM immunoglobulins to trigger activation of the complement cascade (ComC) and release of C5 cleavage fragments crucial in the mobilization process. However, SCID individuals also have T-cell deficiency, and T cells have been shown to modulate trafficking of HSPCs. To learn more about the role of T lymphocytes, we performed mobilization studies in T-lymphocyte-deficient nude mice and found that these mice respond poorly to G-CSF and zymosan but are normal mobilizers in response to AMD3100. Since nude mice have normal levels of IgM immunoglobulins in peripheral blood and may activate the ComC, we focused on the potential involvement of Gr1+ granulocytes and monocytes, which show defective maturation in these animals. Using a nude mouse mobilization model, we found further support for the proposition that proper function of Gr1+ cells is crucial for optimal mobilization of HSPCs.

Engineering of electronic properties of single layer graphene by swift heavy ion irradiation

NASA Astrophysics Data System (ADS)

Kumar, Sunil; Kumar, Ashish; Tripathi, Ambuj; Tyagi, Chetna; Avasthi, D. K.

2018-04-01

In this work, swift heavy ion irradiation induced effects on the electrical properties of single layer graphene are reported. The modulation in minimum conductivity point in graphene with in-situ electrical measurement during ion irradiation was studied. It is found that the resistance of graphene layer decreases at lower fluences up to 3 × 1011 ions/cm2, which is accompanied by the five-fold increase in electron and hole mobilities. The ion irradiation induced increase in electron and hole mobilities at lower fluence up to 1 × 1011 ions/cm2 is verified by separate Hall measurements on another irradiated graphene sample at the selected fluence. In contrast to the adverse effects of irradiation on the electrical properties of materials, we have found improvement in electrical mobility after irradiation. The increment in mobility is explained by considering the defect annealing in graphene after irradiation at a lower fluence regime. The modification in carrier density after irradiation is also observed. Based on findings of the present work, we suggest ion beam irradiation as a useful tool for tuning of the electrical properties of graphene.

First-principles studies of electron transport in Ga2O3

NASA Astrophysics Data System (ADS)

Kang, Youngho; Krishnaswamy, Karthik; Peelaers, Hartwin; van de Walle, Chris G.

Ga2O3 is a wide-gap semiconductor with a monoclinic crystal structure and a band gap of 4.8 eV. Its high carrier mobility and large band gap have attracted a lot of attention for use in high power electronics and transparent conductors. Despite its potential for adoption in these applications, an understanding of its carrier transport properties is still lacking. In this study we use first-principles calculations to analyze and compute the electron scattering rates in Ga2O3. Scattering due to ionized impurities and polar longitudinal-optical (LO) phonon is taken into account. We find that the electron mobility is nearly isotropic, despite the low-symmetry monoclinic structure of Ga2O3. At low carrier densities ( 1017 cm-3), the mobility is limited by LO phonon scattering. Scattering by ionized impurities becomes increasingly important at higher carrier densities. This type of scattering is enhanced when compensating native point defects are present; in particular, gallium vacancies, which are triply negatively charged, can have a strong effect on mobility. These effects explain the downturn in mobility observed in experiments at high carrier densities. This work was supported by ARO and NSF.

TOPICAL REVIEW: The doping process and dopant characteristics of GaN

NASA Astrophysics Data System (ADS)

Sheu, J. K.; Chi, G. C.

2002-06-01

The characteristic effects of doping with impurities such as Si, Ge, Se, O, Mg, Be, and Zn on the electrical and optical properties of GaN-based materials are reviewed. In addition, the roles of unintentionally introduced impurities, such as C, H, and O, and grown-in defects, such as vacancy and antisite point defects, are also discussed. The doping process during epitaxial growth of GaN, AlGaN, InGaN, and their superlattice structures is described. Doping using the diffusion process and ion implantation techniques is also discussed. A p-n junction formed by Si implantation into p-type GaN is successfully fabricated. The results on crystal structure, electrical resistivity, carrier mobility, and optical spectra obtained by means of x-rays, low-temperature Hall measurements, and photoluminescence are also discussed.

Low-Temperature epitaxial growth of InGaAs films on InP(100) and InP(411) A substrates

NASA Astrophysics Data System (ADS)

Galiev, G. B.; Klimova, E. A.; Pushkarev, S. S.; Klochkov, A. N.; Trunkin, I. N.; Vasiliev, A. L.; Maltsev, P. P.

2017-07-01

The structural and electrical characteristics of In0.53Ga0.47As epitaxial films, grown in the low-temperature mode on InP substrates with (100) and (411) A crystallographic orientations at flow ratios of As4 molecules and In and Ga atoms of γ = 29 and 90, have been comprehensively studied. The use of InP(411) A substrates is shown to increase the probability of forming two-dimensional defects (twins, stacking faults, dislocations, and grain boundaries), thus reducing the mobility of free electrons, and AsGa point defects, which act as donors and increase the free-electron concentration. An increase in γ from 29 to 90 leads to transformation of single-crystal InGaAs films grown on (100) and (411) A substrates into polycrystalline ones.

Efficient Defect Engineering for Solution Combustion Processed In-Zn-O thin films for high performance transistors

NASA Astrophysics Data System (ADS)

Liang, Xiaoci; Wang, Chengcai; Liang, Jun; Liu, Chuan; Pei, Yanli

2017-09-01

The oxygen related defects in the solution combustion-processed InZnO vitally affect the field-effect mobility and on-off characteristics in thin film transistors (TFTs). We use photoelectron spectroscopy to reveal that these defects can be well controlled by adjusting the atmosphere and flow rate during the combustion reaction, but are hardly affected by further post-annealing after the reaction. In device performance, the threshold voltage of the InZnO-TFTs was regulated in a wide range from 3.5 V to 11.0 V. To compromise the high field-effect mobility and good subthreshold properties, we fabricate the TFTs with double active layers of InZnO to achieve vertical gradience in defect distribution. The resulting TFT exhibits much higher field-effect mobility as 17.5 cm2 · V-1 · s-1, a low reversed sub-threshold slope as 0.35 V/decade, and a high on-off ratio as 107. The presented understandings and methods on defect engineering are efficient in improving the device performance of TFTs made from the combustion reaction process.

Distinctive distribution of defects in CdZnTe:In ingots and their effects on the photoelectric properties

NASA Astrophysics Data System (ADS)

Fu, Xu; Wang, Fang-Bao; Zuo, Xi-Ran; Wang, Ze-Jian; Wang, Qian-Ru; Wang, Ke-Qin; Xu, Ling-Yan; Xu, Ya-Dong; Guo, Rong-Rong; Yu, Hui; Jie, Wan-Qi

2018-03-01

Photoelectric properties of CdZnTe:In samples with distinctive defect distributions are investigated using various techniques. Samples cut from the head (T04) and tail (W02) regions of a crystal ingot show distinct differences in Te inclusion distribution. Obvious difference is not observed in Fourier transform infrared (FTIR) spectra, UV–Vis–NIR transmittance spectra, and I–V measurements. However, carrier mobility of the tip sample is higher than that of the tail according to the laser beam induced current (LBIC) measurements. Low temperature photoluminescence (PL) measurement presents sharp emission peaks of D0X and A0X, and relatively large peak of D0X (or A0X) / Dcomplex for T04, indicating a better crystalline quality. Thermally stimulated current (TSC) spectrum shows higher density of shallow point defects, i.e., Cd vacancies, {In}}{{Cd}}+, etc., in W02 sample, which could be responsible for the deterioration of electron mobility. Project supported by the National Natural Science Foundations of China (Grant Nos. 51502244, 51702271, U1631116, and 51372205), the National Key Research and Development Program of China (Grant Nos. 2016YFF0101301 and 2016YFE0115200), the Fund of the State Key Laboratory of Solidification Processing in Northwestern Polytechnical University, China (Grant No. SKLSP201741) the Natural Science Basic Research Plan in Shaanxi Province, China (Grant No. 2016KJXX-09), and the Fundamental Research Funds for the Central Universities, China (Grant No. 3102015BJ(II)ZS014).

Defect healing at room temperature in pentacene thin films and improved transistor performance

NASA Astrophysics Data System (ADS)

Kalb, Wolfgang L.; Meier, Fabian; Mattenberger, Kurt; Batlogg, Bertram

2007-11-01

We report on a healing of defects at room temperature in the organic semiconductor pentacene. This peculiar effect is a direct consequence of the weak intermolecular interaction which is characteristic of organic semiconductors. Pentacene thin-film transistors were fabricated and characterized by in situ gated four-terminal measurements. Under high vacuum conditions (base pressure of order 10-8mbar ), the device performance is found to improve with time. The effective field-effect mobility increases by as much as a factor of 2 and mobilities up to 0.45cm2/Vs were achieved. In addition, the contact resistance decreases by more than an order of magnitude and there is a significant reduction in current hysteresis. Oxygen and nitrogen exposure as well as annealing experiments show the improvement of the electronic parameters to be driven by a thermally promoted process and not by chemical doping. In order to extract the spectral density of trap states from the transistor characteristics, we have implemented a powerful scheme which allows for a calculation of the trap densities with high accuracy in a straightforward fashion. We show the performance improvement to be due to a reduction in the density of shallow traps ⩽0.15eV from the valence band edge, while the energetically deeper traps are essentially unaffected. This work contributes to an understanding of the shallow traps in organic semiconductors and identifies structural point defects within the grains of the polycrystalline thin films as a major cause.

Defect sink characteristics of specific grain boundary types in 304 stainless steels under high dose neutron environments

DOE PAGES

Field, Kevin G.; Yang, Ying; Busby, Jeremy T.; ...

2015-03-09

Radiation induced segregation (RIS) is a well-studied phenomena which occurs in many structurally relevant nuclear materials including austenitic stainless steels. RIS occurs due to solute atoms preferentially coupling to mobile point defect fluxes that migrate and interact with defect sinks. Here, a 304 stainless steel was neutron irradiated up to 47.1 dpa at 320 °C. Investigations into the RIS response at specific grain boundary types were utilized to determine the sink characteristics of different boundary types as a function of irradiation dose. A rate theory model built on the foundation of the modified inverse Kirkendall (MIK) model is proposed andmore » benchmarked to the experimental results. This model, termed the GiMIK model, includes alterations in the boundary conditions based on grain boundary structure and includes expressions for interstitial binding. This investigation, through experiment and modeling, found specific grain boundary structures exhibit unique defect sink characteristics depending on their local structure. Furthermore, such interactions were found to be consistent across all doses investigated and had larger global implications including precipitation of Ni-Si clusters near different grain boundary types.« less

Modeling thermal spike driven reactions at low temperature and application to zirconium carbide radiation damage

NASA Astrophysics Data System (ADS)

Ulmer, Christopher J.; Motta, Arthur T.

2017-11-01

The development of TEM-visible damage in materials under irradiation at cryogenic temperatures cannot be explained using classical rate theory modeling with thermally activated reactions since at low temperatures thermal reaction rates are too low. Although point defect mobility approaches zero at low temperature, the thermal spikes induced by displacement cascades enable some atom mobility as it cools. In this work a model is developed to calculate "athermal" reaction rates from the atomic mobility within the irradiation-induced thermal spikes, including both displacement cascades and electronic stopping. The athermal reaction rates are added to a simple rate theory cluster dynamics model to allow for the simulation of microstructure evolution during irradiation at cryogenic temperatures. The rate theory model is applied to in-situ irradiation of ZrC and compares well at cryogenic temperatures. The results show that the addition of the thermal spike model makes it possible to rationalize microstructure evolution in the low temperature regime.

Achieving high field-effect mobility in amorphous indium-gallium-zinc oxide by capping a strong reduction layer.

PubMed

Zan, Hsiao-Wen; Yeh, Chun-Cheng; Meng, Hsin-Fei; Tsai, Chuang-Chuang; Chen, Liang-Hao

2012-07-10

An effective approach to reduce defects and increase electron mobility in a-IGZO thin-film transistors (a-IGZO TFTs) is introduced. A strong reduction layer, calcium, is capped onto the back interface of a-IGZO TFT. After calcium capping, the effective electron mobility of a-IGZO TFT increases from 12 cm(2) V(-1) s(-1) to 160 cm(2) V(-1) s(-1). This high mobility is a new record, which implies that the proposed defect reduction effect is key to improve electron transport in oxide semiconductor materials. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dorsal Intercostal Artery Perforator Propeller Flaps: A Reliable Option in Reconstruction of Large Meningomyelocele Defects.

PubMed

Basterzi, Yavuz; Tenekeci, Goktekin

2016-04-01

Several options have been reported for the reconstruction of myelomeningocele defects. In this article, we present our experience on soft tissue reconstruction of myelomeningocele defects by using island propeller dorsal intercostal artery perforator (DIAP) flaps. Between January 2008 and February 2014, all newborns with large myelomeningocele defects (13 newborns) were reconstructed with island propeller DIAP flaps. All flaps survived completely. In 8 patients out of 13, venous insufficiency was observed which then resolved spontaneously. Flap donor sites were closed primarily. Myelomeningocele defects with a diameter larger than 5 cm require reconstruction with flaps. To mobilize a well-vascularized tissue over the defect without tension in which the suture lines will not overlap over the midline where the dura is repaired and over the meninges is one of the goals of reconstruction for such defects. Perforator propeller flaps enable us to reach those goals. Use of perforator flaps provides 2 important advantages, namely, more predictability and also more freedom in mobilizing flaps toward the defect. This study proves the reliability of DIAP propeller flaps in the reconstruction of myelomeningocele defects.

Theory of nucleosome corkscrew sliding in the presence of synthetic DNA ligands.

PubMed

Mohammad-Rafiee, Farshid; Kulić, Igor M; Schiessel, Helmut

2004-11-12

Histone octamers show a heat-induced mobility along DNA. Recent theoretical studies have established two mechanisms that are qualitatively and quantitatively compatible with in vitro experiments on nucleosome sliding: octamer repositioning through one-base-pair twist defects and through ten-base-pair bulge defects. A recent experiment demonstrated that the repositioning is strongly suppressed in the presence of minor-groove binding DNA ligands. In the present study, we give a quantitative theory for nucleosome repositioning in the presence of such ligands. We show that the experimentally observed octamer mobilities are consistent with the picture of bound ligands blocking the passage of twist defects through the nucleosome. This strongly supports the model of twist defects inducing a corkscrew motion of the nucleosome as the underlying mechanism of nucleosome sliding. We provide a theoretical estimate of the nucleosomal mobility without adjustable parameters, as a function of ligand concentration, binding affinity, binding site orientation, temperature and DNA anisotropy. Having this mobility in hand, we speculate on the interaction between a nucleosome and a transcribing RNA polymerase, and suggest a novel mechanism that might account for polymerase-induced nucleosome repositioning on short DNA templates.

Reconstruction of Anterolateral Thigh Defects Using Perforator-Based Propeller Flaps.

PubMed

Iida, Takuya; Yoshimatsu, Hidehiko; Koshima, Isao

2017-10-01

Usually, anterolateral thigh (ALT) defects with width more than 8 cm cannot be closed directly. Although several methods of using local flaps exist, flap mobility of these methods is limited. We introduced a perforator-based propeller flap for such reconstruction. Their maximal mobility, which minimizes their size, is their greatest advantage. In addition, we present our technical refinements including double-axes propeller flap, the use of indocyanine green real-time angiography, and supercharged propeller flap for safer flap transfer. Seven patients underwent perforator-based propeller flap reconstruction of ALT defects. Flaps were designed cranial or caudal to the defect according to the perforator locations. To maximize mobility, flaps were designed so that the perforator was located at the periphery and closer to the defect. After rotating the flap to the defect, indocyanine green angiography was performed to determine the need for supercharge. In all cases, all flaps survived completely. Defect size ranged from 12 × 11 cm to 18 × 16 cm, and flap size ranged from 7 × 5 cm to 15 × 7 cm. The number of perforators in the flap was 1 in 3 cases and 2 in 4 cases. Supercharging was performed in 3 cases. Donor-site complications, including gait disturbance, were not observed. This method achieves ALT defect closure with minimal donor-site morbidity and can provide prompt and aesthetically acceptable results. Indocyanine green real-time angiography and supercharging technique are also useful for safer and reliable flap transfer.

Diffusion length of non-equilibrium minority charge carriers in β-Ga2O3 measured by electron beam induced current

NASA Astrophysics Data System (ADS)

Yakimov, E. B.; Polyakov, A. Y.; Smirnov, N. B.; Shchemerov, I. V.; Yang, Jiancheng; Ren, F.; Yang, Gwangseok; Kim, Jihyun; Pearton, S. J.

2018-05-01

The spatial distribution of electron-hole pair generation in β-Ga2O3 as a function of scanning electron microscope (SEM) beam energy has been calculated by a Monte Carlo method. This spatial distribution is then used to obtain the diffusion length of charge carriers in high-quality epitaxial Ga2O3 films from the dependence of the electron beam induced current (EBIC) collection efficiency on the accelerating voltage of a SEM. The experimental results show, contrary to earlier theory, that holes are mobile in β-Ga2O3 and to a large extent determine the diffusion length of charge carriers. Diffusion lengths in the range 350-400 nm are determined for the as-grown Ga2O3, while processes like exposing the samples to proton irradiation essentially halve this value, showing the role of point defects in controlling minority carrier transport. The pitfalls related to using other popular EBIC-based methods assuming a point-like excitation function are demonstrated. Since the point defect type and the concentration in currently available Ga2O3 are dependent on the growth method and the doping concentration, accurate methods of diffusion length determination are critical to obtain quantitative comparisons of material quality.

Time-resolved atomic force microscopy imaging studies of asymmetric PS-b-PMMA ultrathin films: Dislocation and disclination transformations, defect mobility, and evolution of nanoscale morphology

NASA Astrophysics Data System (ADS)

Hahm, J.; Sibener, S. J.

2001-03-01

Time-sequenced atomic force microscopy (AFM) studies of ultrathin films of cylinder-forming polystyrene-block-polymethylmethacrylate (PS-b-PMMA) copolymer are presented which delineate thin film mobility kinetics and the morphological changes which occur in microphase-separated films as a function of annealing temperature. Of particular interest are defect mobilities in the single layer (L thick) region, as well as the interfacial morphological changes which occur between L thick and adjacent 3L/2 thick layers, i.e., structural changes which occur during multilayer evolution. These measurements have revealed the dominant pathways by which disclinations and dislocations transform, annihilate, and topologically evolve during thermal annealing of such films. Mathematical combining equations are given to better explain such defect transformations and show the topological outcomes which result from defect-defect encounters. We also report a collective, Arrhenius-type flow of defects in localized L thick regions of the film; these are characterized by an activation energy of 377 kJ/mol. These measurements represent the first direct investigation of time-lapse interfacial morphological changes including associated defect evolution pathways for polymeric ultrathin films. Such observations will facilitate a more thorough and predictive understanding of diblock copolymer thin film dynamics, which in turn will further enable the utilization of these nanoscale phase-separated materials in a range of physical and chemical applications.

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

Field, Kevin G.; Yang, Ying; Busby, Jeremy T.

Radiation induced segregation (RIS) is a well-studied phenomena which occurs in many structurally relevant nuclear materials including austenitic stainless steels. RIS occurs due to solute atoms preferentially coupling to mobile point defect fluxes that migrate and interact with defect sinks. Here, a 304 stainless steel was neutron irradiated up to 47.1 dpa at 320 °C. Investigations into the RIS response at specific grain boundary types were utilized to determine the sink characteristics of different boundary types as a function of irradiation dose. A rate theory model built on the foundation of the modified inverse Kirkendall (MIK) model is proposed andmore » benchmarked to the experimental results. This model, termed the GiMIK model, includes alterations in the boundary conditions based on grain boundary structure and includes expressions for interstitial binding. This investigation, through experiment and modeling, found specific grain boundary structures exhibit unique defect sink characteristics depending on their local structure. Furthermore, such interactions were found to be consistent across all doses investigated and had larger global implications including precipitation of Ni-Si clusters near different grain boundary types.« less

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

Field, Kevin G.; Yang, Ying; Allen, Todd R.

Radiation induced segregation (RIS) is a well-studied phenomena which occurs in many structurally relevant nuclear materials including austenitic stainless steels. RIS occurs due to solute atoms preferentially coupling to mobile point defect fluxes that migrate and interact with defect sinks. Here, a 304 stainless steel was neutron irradiated up to 47.1 dpa at 320 °C. Investigations into the RIS response at specific grain boundary types were utilized to determine the sink characteristics of different boundary types as a function of irradiation dose. A rate theory model built on the foundation of the modified inverse Kirkendall (MIK) model is proposed andmore » benchmarked to the experimental results. This model, termed the GiMIK model, includes alterations in the boundary conditions based on grain boundary structure and includes expressions for interstitial binding. This investigation, through experiment and modeling, found specific grain boundary structures exhibit unique defect sink characteristics depending on their local structure. Such interactions were found to be consistent across all doses investigated and had larger global implications including precipitation of Ni-Si clusters near different grain boundary types.« less

40 CFR 85.1903 - Emissions defect information report.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Emissions defect information report. 85.1903 Section 85.1903 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements...

Field-induced strain degradation of AlGaN/GaN high electron mobility transistors on a nanometer scale

NASA Astrophysics Data System (ADS)

Lin, Chung-Han; Doutt, D. R.; Mishra, U. K.; Merz, T. A.; Brillson, L. J.

2010-11-01

Nanoscale Kelvin probe force microscopy and depth-resolved cathodoluminescence spectroscopy reveal an electronic defect evolution inside operating AlGaN/GaN high electron mobility transistors with degradation under electric-field-induced stress. Off-state electrical stress results in micron-scale areas within the extrinsic drain expanding and decreasing in electric potential, midgap defects increasing by orders-of-magnitude at the AlGaN layer, and local Fermi levels lowering as gate-drain voltages increase above a characteristic stress threshold. The pronounced onset of defect formation, Fermi level movement, and transistor degradation at the threshold gate-drain voltage of J. A. del Alamo and J. Joh [Microelectron. Reliab. 49, 1200 (2009)] is consistent with crystal deformation and supports the inverse piezoelectric model of high electron mobility transistor degradation.

Photocatalytic characteristics of single phase Fe-doped anatase TiO{sub 2} nanoparticles sensitized with vitamin B{sub 12}

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

Gharagozlou, Mehrnaz, E-mail: gharagozlou@icrc.ac.ir; Bayati, R.

Highlights: • Anatase TiO{sub 2}/B{sub 12} hybrid nanostructured catalyst was successfully synthesized by sol–gel technique. • The nanoparticle catalyst was doped with iron at several concentrations. • Nanoparticles were characterized in detail by XRD, Raman, TEM, EDS, and spectroscopy techniques. • The formation mechanism and role of point defects on photocatalytic properties were discussed. • A structure-property-processing correlation was established. - Abstract: We report a processing-structure-property correlation in B{sub 12}-anatase titania hybrid catalysts doped with several concentrations of iron. Our results clearly show that low-level iron doping alters structure, defect content, and photocatalytic characteristics of TiO{sub 2}. XRD and Ramanmore » studies revealed formation of a single-phase anatase TiO{sub 2} where no iron based segregation in particular iron oxide, was detected. FT-IR spectra clearly confirmed sensitization of TiO{sub 2} nanoparticles with vitamin B{sub 12}. TEM micrographs and diffraction patterns confirmed crystallization of anatase nanoparticles with a radius of 15–20 nm. Both XRD and Raman signals showed a peak shift and a peak broadening which are surmised to originate from creation of point defects, namely oxygen vacancy and titanium interstitial. The doped samples revealed a narrower band gap as compared to undoped samples. Photocatalytic activity of the samples was assessed through measuring the decomposition rate of rhodamine B. It was found that sensitization with vitamin B{sub 12} and Fe-doping significantly enhances the photocatalytic efficiency of the anatase nanoparticles. We also showed that there is an optimum Fe-doping level where the maximum photocatalytic activity is achieved. The boost of photocatalytic activity was qualitatively understood to originate from a more effective use of the light photons, formation of point defects, which enhance the charge separation, higher carrier mobility.« less

Analysis of defect structure in silicon. Effect of grain boundary density on carrier mobility in UCP material

NASA Technical Reports Server (NTRS)

Dunn, J.; Stringfellow, G. B.; Natesh, R.

1982-01-01

The relationships between hole mobility and grain boundary density were studied. Mobility was measured using the van der Pauw technique, and grain boundary density was measured using a quantitative microscopy technique. Mobility was found to decrease with increasing grain boundary density.

Defect-mediated transport and electronic irradiation effect in individual domains of CVD-grown monolayer MoS 2

DOE PAGES

Durand, Corentin; Zhang, Xiaoguang; Fowlkes, Jason; ...

2015-01-16

We study the electrical transport properties of atomically thin individual crystalline grains of MoS 2 with four-probe scanning tunneling microscopy. The monolayer MoS 2 domains are synthesized by chemical vapor deposition on SiO 2/Si substrate. Temperature dependent measurements on conductance and mobility show that transport is dominated by an electron charge trapping and thermal release process with very low carrier density and mobility. The effects of electronic irradiation are examined by exposing the film to electron beam in the scanning electron microscope in an ultrahigh vacuum environment. The irradiation process is found to significantly affect the mobility and the carriermore » density of the material, with the conductance showing a peculiar time-dependent relaxation behavior. It is suggested that the presence of defects in active MoS 2 layer and dielectric layer create charge trapping sites, and a multiple trapping and thermal release process dictates the transport and mobility characteristics. The electron beam irradiation promotes the formation of defects and impact the electrical properties of MoS 2. Finally, our study reveals the important roles of defects and the electron beam irradiation effects in the electronic properties of atomic layers of MoS 2.« less

Changes in intranuclear mobility of mature snRNPs provide a mechanism for splicing defects in spinal muscular atrophy

PubMed Central

Clelland, Allyson Kara; Bales, Alexandra Beatrice E.; Sleeman, Judith Elizabeth

2012-01-01

It is becoming increasingly clear that defects in RNA metabolism can lead to disease. Spinal muscular atrophy (SMA), a leading genetic cause of infant mortality, results from insufficient amounts of survival motor neuron (SMN) protein. SMN is required for the biogenesis of small nuclear ribonucleoproteins (snRNPs): essential components of the spliceosome. Splicing abnormalities have been detected in models of SMA but it is unclear how lowered SMN affects the fidelity of pre-mRNA splicing. We have examined the dynamics of mature snRNPs in cells depleted of SMN and demonstrated that SMN depletion increases the mobility of mature snRNPs within the nucleus. To dissect the molecular mechanism by which SMN deficiency affects intranuclear snRNP mobility, we employed a panel of inhibitors of different stages of pre-mRNA processing. This in vivo modelling demonstrates that snRNP mobility is altered directly as a result of impaired snRNP maturation. Current models of nuclear dynamics predict that subnuclear structures, including the spliceosome, form by self-organization mediated by stochastic interactions between their molecular components. Thus, alteration of the intranuclear mobility of snRNPs provides a molecular mechanism for splicing defects in SMA. PMID:22393244

Demineralized Bone Matrix Scaffolds Modified by CBD-SDF-1α Promote Bone Regeneration via Recruiting Endogenous Stem Cells.

PubMed

Shi, Jiajia; Sun, Jie; Zhang, Wen; Liang, Hui; Shi, Qin; Li, Xiaoran; Chen, Yanyan; Zhuang, Yan; Dai, Jianwu

2016-10-07

The reconstruction of bone usually depends on substitute transplantation, which has drawbacks including the limited bone substitutes available, comorbidity, immune rejection, and limited endogenous bone regeneration. Here, we constructed a functionalized bone substitute by combining application of the demineralized bone matrix (DBM) and collagen-binding stromal-cell-derived factor-1α (CBD-SDF-1α). DBM was a poriferous and biodegradable bone substitute, derived from bovine bone and consisting mainly of collagen. CBD-SDF-1α could bind to collagen and be controllably released from the DBM to mobilize stem cells. In a rat femur defect model, CBD-SDF-1α-modified DBM scaffolds could efficiently mobilize CD34 + and c-kit + endogenous stem cells homing to the injured site at 3 days after implantation. According to the data from micro-CT, CBD-SDF-1α-modified DBM scaffolds could help the bone defects rejoin with mineralization accumulated and bone volume expanded. Interestingly, osteoprotegerin (OPG) and osteopontin (OPN) were highly expressed in CBD-SDF-1α group at an early time after implantation, while osteocalcin (OCN) was more expanded. H&E and Masson's trichrome staining showed that the CBD-SDF-1α-modified DBM scaffold group had more osteoblasts and that the bone defect rejoined earlier. The ultimate strength of the regenerated bone was investigated by three-point bending, showing that the CBD-SDF-1α group had superior strength. In conclusion, CBD-SDF-1α-modified DBM scaffolds could promote bone regeneration by recruiting endogenous stem cells.

Investigation of Defect Distributions in SiO2/AlGaN/GaN High-Electron-Mobility Transistors by Using Capacitance-Voltage Measurement with Resonant Optical Excitation

NASA Astrophysics Data System (ADS)

Kim, Tae-Soo; Lim, Seung-Young; Park, Yong-Keun; Jung, Gunwoo; Song, Jung-Hoon; Cha, Ho-Young; Han, Sang-Woo

2018-06-01

We investigated the distributions and the energy levels of defects in SiO2/AlGaN/GaN highelectron-mobility transistors (HEMTs) by using frequency-dependent ( F- D) capacitance-voltage ( C- V) measurements with resonant optical excitation. A Schottky barrier (SB) and a metal-oxidesemiconductor (MOS) HEMT were prepared to compare the effects of defects in their respective layers. We also investigated the effects of those layers on the threshold voltage ( V th ). A drastic voltage shift in the C- V curve at higher frequencies was caused by the large number of defect levels in the SiO2/GaN interface. A significant shift in V th with additional light illumination was observed due to a charging of the defect states in the SiO2/GaN interface. The voltage shifts were attributed to the detrapping of defect states at the SiO2/GaN interface.

Study on the intrinsic defects in tin oxide with first-principles method

NASA Astrophysics Data System (ADS)

Sun, Yu; Liu, Tingyu; Chang, Qiuxiang; Ma, Changmin

2018-04-01

First-principles and thermodynamic methods are used to study the contribution of vibrational entropy to defect formation energy and the stability of the intrinsic point defects in SnO2 crystal. According to thermodynamic calculation results, the contribution of vibrational entropy to defect formation energy is significant and should not be neglected, especially at high temperatures. The calculated results indicate that the oxygen vacancy is the major point defect in undoped SnO2 crystal, which has a higher concentration than that of the other point defect. The property of negative-U is put forward in SnO2 crystal. In order to determine the most stable defects much clearer under different conditions, the most stable intrinsic defect as a function of Fermi level, oxygen partial pressure and temperature are described in the three-dimensional defect formation enthalpy diagrams. The diagram visually provides the most stable point defects under different conditions.

Effects of macroscopic inhomogeneities on electron mobility in semi-insulating GaAs

NASA Technical Reports Server (NTRS)

Walukiewicz, W.; Wang, L.; Pawlowicz, L. M.; Lagowski, J.; Gatos, H. C.

1986-01-01

It is shown that defect inhomogeneities of sizes larger than the electron mean free path are responsible for the low values and anomalous temperature dependence of the electron mobility in semi-insulating (SI) GaAs. The room-temperature electron mobility values below about 6000 sq cm/V s cannot be uniquely used for the determination of the concentration of ionized defects, since the contribution from inhomogeneities usually exceeds that from scattering by ionized impurities. The effects of the macroscopically inhomogeneous distribution of residual acceptors and the major deep donor EL2 diminish at elevated temperatures between 600 and 900 K, which offers a means for identification of inhomogeneities, and furthermore explains recently reported steplike mobility versus temperature behavior in SI-GaAs.

Thermoelectric study of Ag doped SnSe-Sb2Se3 based alloy

NASA Astrophysics Data System (ADS)

Das, Anish; Talukdar, M.; Kumar, Aparabal; Sarkar, Kalyan Jyoti; Dhama, P.; Banerji, P.

2018-05-01

In this article we have synthesized p-type alloy of SnSe and Sb2Se3 (10 atomic %) to study the thermoelectric transport properties. The alloy was prepared by melt grown technique followed by spark plasma sintering and latter doped with 2 atomic % Ag to compensate the carrier density in order to achieve higher electrical conductivity (σ). Out of these, the doped sample resulted in the maximum figure of merit, ZT˜0.7 at 773 K due to the existence of the secondary phase AgSbSe2 and reduced lattice thermal conductivity (0.61 W m-1 K-1 at 300 K). The fitted lattice thermal conductivity shows that point defect and Umklapp scattering are the primary process of phonon scattering for all the samples whereas the fitted mobility data confirms acoustic phonon scattering along with point defect and grain boundary scattering to be the main carrier scattering mechanism. More over room temperature carrier density and electrical conductivity are found to increase for the doped sample which further corroborate (90%)SnSe-(10%)Sb2Se3:2%Ag to be a potential candidate for highly efficient thermoelectric materials.

Investigation of 3C-SiC/SiO2 interfacial point defects from ab initio g-tensor calculations and electron paramagnetic resonance measurements

NASA Astrophysics Data System (ADS)

Nugraha, T. A.; Rohrmueller, M.; Gerstmann, U.; Greulich-Weber, S.; Stellhorn, A.; Cantin, J. L.; von Bardeleben, J.; Schmidt, W. G.; Wippermann, S.

SiC is widely used in high-power, high-frequency electronic devices. Recently, it has also been employed as a building block in nanocomposites used as light absorbers in solar energy conversion devices. Analogous to Si, SiC features SiO2 as native oxide that can be used for passivation and insulating layers. However, a significant number of defect states are reported to form at SiC/SiO2 interfaces, limiting mobility and increasing recombination of free charge carriers. We investigated the growth of oxide on different 3C-SiC surfaces from first principles. Carbon antisite Csi defects are found to be strongly stabilized in particular at the interface, because carbon changes its hybridization from sp3 in the SiC-bulk to sp2 at the interface, creating a dangling bond inside a porous region of the SiO2 passivating layer. Combining ab initio g-tensor calculations and electron paramagnetic resonance (EPR) measurements, we show that Csi defects explain the measured EPR signatures, while the hyperfine structure allows to obtain local structural information of the oxide layer. Financial support from BMBF NanoMatFutur Grant 13N12972 and DFG priority program SPP-1601 is gratefully acknowledged.

Understanding charge transport in lead iodide perovskite thin-film field-effect transistors

PubMed Central

Senanayak, Satyaprasad P.; Yang, Bingyan; Thomas, Tudor H.; Giesbrecht, Nadja; Huang, Wenchao; Gann, Eliot; Nair, Bhaskaran; Goedel, Karl; Guha, Suchi; Moya, Xavier; McNeill, Christopher R.; Docampo, Pablo; Sadhanala, Aditya; Friend, Richard H.; Sirringhaus, Henning

2017-01-01

Fundamental understanding of the charge transport physics of hybrid lead halide perovskite semiconductors is important for advancing their use in high-performance optoelectronics. We use field-effect transistors (FETs) to probe the charge transport mechanism in thin films of methylammonium lead iodide (MAPbI3). We show that through optimization of thin-film microstructure and source-drain contact modifications, it is possible to significantly minimize instability and hysteresis in FET characteristics and demonstrate an electron field-effect mobility (μFET) of 0.5 cm2/Vs at room temperature. Temperature-dependent transport studies revealed a negative coefficient of mobility with three different temperature regimes. On the basis of electrical and spectroscopic studies, we attribute the three different regimes to transport limited by ion migration due to point defects associated with grain boundaries, polarization disorder of the MA+ cations, and thermal vibrations of the lead halide inorganic cages. PMID:28138550

Controlling the ripple density and heights: a new way to improve the electrical performance of CVD-grown graphene.

PubMed

Park, Won-Hwa; Jo, Insu; Hong, Byung Hee; Cheong, Hyeonsik

2016-05-14

We report a new way to enhance the electrical performances of large area CVD-grown graphene through controlling the ripple density and heights after transfer onto SiO2/Si substrates by employing different cooling rates during fabrication. We find that graphene films prepared with a high cooling rate have reduced ripple density and heights and improved electrical characteristics such as higher electron/hole mobilities as well as reduced sheet resistance. The corresponding Raman analysis also shows a significant decrease of the defects when a higher cooling rate is employed. We suggest a model that explains the improved morphology of the graphene film obtained with higher cooling rates. From these points of view, we can suggest a new pathway toward a relatively lower density and heights of ripples in order to reduce the flexural phonon-electron scattering effect, leading to higher lateral carrier mobilities.

Grain Boundary Effect on Charge Transport in Pentacene Thin Films

NASA Astrophysics Data System (ADS)

Weis, Martin; Gmucová, Katarína; Nádaždy, Vojtech; Majková, Eva; Haško, Daniel; Taguchi, Dai; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-04-01

We report on charge transport properties of polycrystalline pentacene films with variable average grain size in the range from 0.1 to 0.3 µm controlled by the preparation technology. We illustrate with the organic field-effect transistors decrease of the effective mobility and presence of traps with decrease of the grain size. Analysis of the charge transfer excitons reveals decrease of the mobile charge density and the steady-state voltammetry showed significant increase of oxygen- and hydrogen-related defects. We also briefly discuss accumulation of the defects on the grain boundary and show relation between the defect density and grain boundary length.

Analysis of defect structure in silicon. Characterization of SEMIX material. Silicon sheet growth development for the large area silicon sheet task of the low-cost solar array project

NASA Technical Reports Server (NTRS)

Natesh, R.; Stringfellow, G. B.; Virkar, A. V.; Dunn, J.; Guyer, T.

1983-01-01

Statistically significant quantitative structural imperfection measurements were made on samples from ubiquitous crystalline process (UCP) Ingot 5848 - 13C. Important correlation was obtained between defect densities, cell efficiency, and diffusion length. Grain boundary substructure displayed a strong influence on the conversion efficiency of solar cells from Semix material. Quantitative microscopy measurements gave statistically significant information compared to other microanalytical techniques. A surface preparation technique to obtain proper contrast of structural defects suitable for quantimet quantitative image analyzer (QTM) analysis was perfected and is used routinely. The relationships between hole mobility and grain boundary density was determined. Mobility was measured using the van der Pauw technique, and grain boundary density was measured using quantitative microscopy technique. Mobility was found to decrease with increasing grain boundary density.

Defect quasi Fermi level control-based CN reduction in GaN: Evidence for the role of minority carriers

NASA Astrophysics Data System (ADS)

Reddy, Pramod; Kaess, Felix; Tweedie, James; Kirste, Ronny; Mita, Seiji; Collazo, Ramon; Sitar, Zlatko

2017-10-01

Compensating point defect reduction in wide bandgap semiconductors is possible by above bandgap illumination based defect quasi Fermi level (dQFL) control. The point defect control technique employs excess minority carriers that influence the dQFL of the compensator, increase the corresponding defect formation energy, and consequently are responsible for point defect reduction. Previous studies on various defects in GaN and AlGaN have shown good agreement with the theoretical model, but no direct evidence for the role of minority carriers was provided. In this work, we provide direct evidence for the role of minority carriers in reducing point defects by studying the predicted increase in work done against defect (CN-1) formation with the decrease in the Fermi level (free carrier concentration) in Si doped GaN at a constant illumination intensity. Comparative defect photoluminescence measurements on illuminated and dark regions of GaN show an excellent quantitative agreement with the theory by exhibiting a greater reduction in yellow luminescence attributed to CN-1 at lower doping, thereby providing conclusive evidence for the role of the minority carriers in Fermi level control-based point defect reduction.

Formation Energies of Native Point Defects in Strained-Layer Superlattices (Postprint)

DTIC Science & Technology

2017-06-05

AFRL-RX-WP-JA-2017-0217 FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED-LAYER SUPERLATTICES (POSTPRINT) Zhi-Gang Yu...2016 Interim 11 September 2013 – 5 November 2016 4. TITLE AND SUBTITLE FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED-LAYER SUPERLATTICES...native point defect (NPD) formation energies and absence of mid-gap levels. In this Letter we use first-principles calculations to study the formation

Formation Energies of Native Point Defects in Strained layer Superlattices (Postprint)

DTIC Science & Technology

2017-06-05

AFRL-RX-WP-JA-2017-0440 FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED-LAYER SUPERLATTICES (POSTPRINT) Zhi Gang Yu...2017 Interim 11 September 2013 – 31 May 2017 4. TITLE AND SUBTITLE FORMATION ENERGIES OF NATIVE POINT DEFECTS IN STRAINED-LAYER SUPERLATTICES...Hamiltonian, tight-binding Hamiltonian, and Green’s function techniques to obtain energy levels arising from native point defects (NPDs) in InAs-GaSb and

Lithium-ion drifting: Application to the study of point defects in floating-zone silicon

NASA Technical Reports Server (NTRS)

Walton, J. T.; Wong, Y. K.; Zulehner, W.

1997-01-01

The use of lithium-ion (Li(+)) drifting to study the properties of point defects in p-type Floating-Zone (FZ) silicon crystals is reported. The Li(+) drift technique is used to detect the presence of vacancy-related defects (D defects) in certain p-type FZ silicon crystals. SUPREM-IV modeling suggests that the silicon point defect diffusivities are considerably higher than those commonly accepted, but are in reasonable agreement with values recently proposed. These results demonstrate the utility of Li(+) drifting in the study of silicon point defect properties in p-type FZ crystals. Finally, a straightforward measurement of the Li(+) compensation depth is shown to yield estimates of the vacancy-related defect concentration in p-type FZ crystals.

Point defects in Cd(Zn)Te and TlBr: Theory

NASA Astrophysics Data System (ADS)

Lordi, Vincenzo

2013-09-01

The effects of various crystal defects on the performances of CdTe, CdZnxTe (CZT), and TlBr for room-temperature high-energy radiation detection are examined using first-principles theoretical methods. The predictive, parameter-free, atomistic approaches used provide fundamental understanding of defect properties that are difficult to measure and also allow rapid screening of possibilities for material engineering, such as optimal doping and annealing conditions. Several recent examples from the author's work are reviewed, including: (i) accurate calculations of the thermodynamic and electronic properties of native point defects and point defect complexes in CdTe and CZT; (ii) the effects of Zn alloying on the native point defect properties in CZT; (iii) point defect diffusion and binding leading to Te clustering in Cd(Zn)Te; (iv) the profound effect of native point defects—principally vacancies—on the intrinsic material properties of TlBr, particularly its electronic and ionic conductivity; and (v) a study on doping TlBr to independently control the electronic and ionic conductivity.

Carrier mobility degradation due to high dose implantation in ultrathin unstrained and strained silicon-on-insulator films

NASA Astrophysics Data System (ADS)

Dupré, C.; Ernst, T.; Hartmann, J.-M.; Andrieu, F.; Barnes, J.-P.; Rivallin, P.; Faynot, O.; Deleonibus, S.; Fazzini, P. F.; Claverie, A.; Cristoloveanu, S.; Ghibaudo, G.; Cristiano, F.

2007-11-01

Based on electrical measurements and transmission electron microscopy (TEM) imaging, we propose an explanation for the electron and hole mobility degradation with gate length reduction in metal-oxide-semiconductor field effect transistors (MOSFETs). We demonstrate that ion implantation, normally used for source/drain doping, is responsible for transport degradation for short-channel devices. Implantation impact on electrons and holes mobility was investigated both on silicon-on-insulator (SOI) and tensile strained silicon-on-insulator (sSOI) substrates. Wafers with ultrathin Si films (from 8 to 35 nm) were Ge implanted at 3 keV and various concentrations (from 5×1014 to 2×1015 atoms cm-2), then annealed at 600 °C for 1 h. Secondary ion mass spectrometry enabled us to quantify the Ge-implanted atoms concentrations. The end-of-range defects impact on mobility was investigated with the pseudo-MOSFET technique. Measurements showed a mobility decrease as the implantation dose increased. We demonstrated that sSOI mobility is more sensitive to implantation than SOI mobility, without any implantation-induced strain relaxation in sSOI (checked using the ultraviolet Raman technique). A 36% (25%) holes (electrons) mobility degradation was measured for sSOI, while SOI presented a 21% mobility degradation for holes and 5% for electrons. Finally, the electrical results were compared with morphological studies. Plan-view TEM showed the presence of interstitial defects formed during ion implantation and annealing. The defect density was estimated to be two times higher in sSOI than in SOI, which is in full agreement with electrical results mentioned before. The results are relevant for the optimization of the source and drain regions of advanced nanoscale SOI and sSOI transistors.

Density Functional Theory Calculations of the Role of Defects in Amorphous Silicon Solar Cells

NASA Astrophysics Data System (ADS)

Johlin, Eric; Wagner, Lucas; Buonassisi, Tonio; Grossman, Jeffrey C.

2010-03-01

Amorphous silicon holds promise as a cheap and efficient material for thin-film photovoltaic devices. However, current device efficiencies are severely limited by the low mobility of holes in the bulk amorphous silicon material, the cause of which is not yet fully understood. This work employs a statistical analysis of density functional theory calculations to uncover the implications of a range of defects (including internal strain and substitution impurities) on the trapping and mobility of holes, and thereby also on the total conversion efficiency. We investigate the root causes of this low mobility and attempt to provide suggestions for simple methods of improving this property.

First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4}-based thin-film photovoltaics

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

Varley, J. B.; Lordi, V.; He, X.

2016-01-14

We investigate point defects in CdS buffer layers that may arise from intermixing with Cu(In,Ga)Se{sub 2} (CIGSe) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) absorber layers in thin-film photovoltaics (PV). Using hybrid functional calculations, we characterize the migration barriers of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities and assess the activation energies necessary for their diffusion into the bulk of the buffer. We find that Cu, In, and Ga are the most mobile defects in CIGS-derived impurities, with diffusion expected to proceed into the buffer via interstitial-hopping and cadmium vacancy-assisted mechanisms at temperatures ∼400 °C. Cu is predicted to stronglymore » favor migration paths within the basal plane of the wurtzite CdS lattice, which may facilitate defect clustering and ultimately the formation of Cu-rich interfacial phases as observed by energy dispersive x-ray spectroscopic elemental maps in real PV devices. Se, Zn, and Sn defects are found to exhibit much larger activation energies and are not expected to diffuse within the CdS bulk at temperatures compatible with typical PV processing temperatures. Lastly, we find that Na interstitials are expected to exhibit slightly lower activation energies than K interstitials despite having a larger migration barrier. Still, we find both alkali species are expected to diffuse via an interstitially mediated mechanism at slightly higher temperatures than enable In, Ga, and Cu diffusion in the bulk. Our results indicate that processing temperatures in excess of ∼400 °C will lead to more interfacial intermixing with CdS buffer layers in CIGSe devices, and less so for CZTSSe absorbers where only Cu is expected to significantly diffuse into the buffer.« less

WE-E-18A-01: Large Area Avalanche Amorphous Selenium Sensors for Low Dose X-Ray Imaging

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

Scheuermann, J; Goldan, A; Zhao, W

2014-06-15

Purpose: A large area indirect flat panel imager (FPI) with avalanche gain is being developed to achieve x-ray quantum noise limited low dose imaging. It uses a thin optical sensing layer of amorphous selenium (a-Se), known as High-Gain Avalanche Rushing Photoconductor (HARP), to detect optical photons generated from a high resolution x-ray scintillator. We will report initial results in the fabrication of a solid-state HARP structure suitable for a large area FPI. Our objective is to establish the blocking layer structures and defect suppression mechanisms that provide stable and uniform avalanche gain. Methods: Samples were fabricated as follows: (1) ITOmore » signal electrode. (2) Electron blocking layer. (3) A 15 micron layer of intrinsic a-Se. (4) Transparent hole blocking layer. (5) Multiple semitransparent bias electrodes to investigate avalanche gain uniformity over a large area. The sample was exposed to 50ps optical excitation pulses through the bias electrode. Transient time of flight (TOF) and integrated charge was measured. A charge transport simulation was developed to investigate the effects of varying blocking layer charge carrier mobility on defect suppression, avalanche gain and temporal performance. Results: Avalanche gain of ∼200 was achieved experimentally with our multi-layer HARP samples. Simulations using the experimental sensor structure produced the same magnitude of gain as a function of electric field. The simulation predicted that the high dark current at a point defect can be reduced by two orders of magnitude by blocking layer optimization which can prevent irreversible damage while normal operation remained unaffected. Conclusion: We presented the first solid state HARP structure directly scalable to a large area FPI. We have shown reproducible and uniform avalanche gain of 200. By reducing mobility of the blocking layers we can suppress defects and maintain stable avalanche. Future work will optimize the blocking layers to prevent lag and ghosting.« less

Local and transient nanoscale strain mapping during in situ deformation

DOE PAGES

Gammer, C.; Kacher, J.; Czarnik, C.; ...

2016-08-26

The mobility of defects such as dislocations controls the mechanical properties of metals. This mobility is determined both by the characteristics of the defect and the material, as well as the local stress and strain applied to the defect. Therefore, the knowledge of the stress and strain during deformation at the scale of defects is important for understanding fundamental deformation mechanisms. In this paper, we demonstrate a method of measuring local stresses and strains during continuous in situ deformation with a resolution of a few nanometers using nanodiffraction strain mapping. Finally, our results demonstrate how large multidimensional data sets capturedmore » with high speed electron detectors can be analyzed in multiple ways after an in situ TEM experiment, opening the door for true multimodal analysis from a single electron scattering experiment.« less

Acetabular revisions using porous tantalum components: A retrospective study with 5-10 years follow-up

PubMed Central

Evola, Francesco Roberto; Costarella, Luciano; Evola, Giuseppe; Barchitta, Martina; Agodi, Antonella; Sessa, Giuseppe

2017-01-01

AIM To evaluate the clinical and X-ray results of acetabular components and tantalum augments in prosthetic hip revisions. METHODS Fifty-eight hip prostheses with primary failure of the acetabular component were reviewed with tantalum implants. The clinical records and X-rays of these cases were retrospectively reviewed. Bone defect evaluations were based on preoperative CT scans and classified according to Paprosky criteria of Radiolucent lines and periprosthetic gaps; implant mobilization and osteolysis were evaluated by X-ray. An ad hoc database was created and statistical analyses were performed with SPSS software (IBM SPSS Statistics for Windows, version 23.0). Statistical analyses were carried out using the Student’s t test for independent and paired samples. A P value of < 0.05 was considered statistically significant and cumulative survival was calculated by the Kaplan-Meier method. RESULTS The mean follow-up was 87.6 ± 25.6 mo (range 3-120 mo). 25 cases (43.1%) were classified as minor defects, and 33 cases (56.9%) as major defects. The preoperative HHS rating improved significantly from a mean of 40.7 ± 6.1 (range: 29-53) before revision, to a mean of 85.8 ± 6.1 (range: 70-94) at the end of the follow-up (Student’s t test for paired samples: P < 0.001). Considering HHS only at the end of follow-up, no statistically significant difference was observed between patients with a major or minor defect (Student’s t test for independent samples: P > 0.05). Radiolucent lines were found in 4 implants (6.9%). Postoperative acetabular gaps were observed in 5 hips (8.6%). No signs of implant mobilization or areas of periprosthetic osteolysis were found in the x-rays at the final follow-up. Only 3 implants failed: 1 case of infection and 2 cases of instability. Defined as the end-point, cumulative survival at 10 years was 95% (for all reasons) and 100% for aseptic loosening of the acetabular component. CONCLUSION The medium-term use of prosthetic tantalum components in prosthetic hip revisions is safe and effective in a wide variety of acetabular bone defects. PMID:28808626

Acetabular revisions using porous tantalum components: A retrospective study with 5-10 years follow-up.

PubMed

Evola, Francesco Roberto; Costarella, Luciano; Evola, Giuseppe; Barchitta, Martina; Agodi, Antonella; Sessa, Giuseppe

2017-07-18

To evaluate the clinical and X-ray results of acetabular components and tantalum augments in prosthetic hip revisions. Fifty-eight hip prostheses with primary failure of the acetabular component were reviewed with tantalum implants. The clinical records and X-rays of these cases were retrospectively reviewed. Bone defect evaluations were based on preoperative CT scans and classified according to Paprosky criteria of Radiolucent lines and periprosthetic gaps; implant mobilization and osteolysis were evaluated by X-ray. An ad hoc database was created and statistical analyses were performed with SPSS software (IBM SPSS Statistics for Windows, version 23.0). Statistical analyses were carried out using the Student's t test for independent and paired samples. A P value of < 0.05 was considered statistically significant and cumulative survival was calculated by the Kaplan-Meier method. The mean follow-up was 87.6 ± 25.6 mo (range 3-120 mo). 25 cases (43.1%) were classified as minor defects, and 33 cases (56.9%) as major defects. The preoperative HHS rating improved significantly from a mean of 40.7 ± 6.1 (range: 29-53) before revision, to a mean of 85.8 ± 6.1 (range: 70-94) at the end of the follow-up (Student's t test for paired samples: P < 0.001). Considering HHS only at the end of follow-up, no statistically significant difference was observed between patients with a major or minor defect (Student's t test for independent samples: P > 0.05). Radiolucent lines were found in 4 implants (6.9%). Postoperative acetabular gaps were observed in 5 hips (8.6%). No signs of implant mobilization or areas of periprosthetic osteolysis were found in the x-rays at the final follow-up. Only 3 implants failed: 1 case of infection and 2 cases of instability. Defined as the end-point, cumulative survival at 10 years was 95% (for all reasons) and 100% for aseptic loosening of the acetabular component. The medium-term use of prosthetic tantalum components in prosthetic hip revisions is safe and effective in a wide variety of acetabular bone defects.

Characterization and modeling of low energy ion-induced damage in III-V semiconductors

NASA Astrophysics Data System (ADS)

Chen, Ching-Hui

1997-11-01

Low energy ion-induced damage (sub-keV) created during dry etching processes can extend quite deeply into materials. A systematic study on the deep penetration of dry etch-induced damage is necessary to improve device performance and helpful in further understanding the nature of defect propagation in semiconductors. In this study, a phenomenological model of dry etching damage that includes both effects of ion channeling and defect diffusion has been developed. It underscores that in addition to ion channeling, enhanced defect diffusion also plays an important role in establishing the damage profile. Further, the enhanced diffusion of dry etch- induced damage was experimentally observed for the first time by investigating the influences of concurrent above- bandgap laser illumination and low energy Ar+ ion bombardment on the damage profiles of GaAs/AlGaAs and InP-GaAs/InP heterostructures. The results indicate that non-radiative recombination of electron and hole pairs at defect sites is responsible for the observed radiation enhanced diffusion. DLTS measurements are also employed to characterize the nature of the enhanced diffusion in n-GaAs and reveal that a major component of the ion- induced defects is associated with primary point defects. Using the better understanding of the damage propagation in dry etched materials, a thin layer of low temperature grown GaAs (~200A) was utilized to stop defect propagation during dry etching process. This approach has been successfully applied to reduce ion damage that would occur during the formation of a dry-etch gate recess of a high electron mobility transistor. Finally, some future experiments are proposed and conceptually described, which would further clarify some of the many outstanding issues in the understanding and mitigation of etch- induced damage.

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.

Role of oxygen functionality on the band structure evolution and conductance of reduced graphene oxide

NASA Astrophysics Data System (ADS)

Roy, Rajarshi; Thapa, Ranjit; Chakrabarty, Soubhik; Jha, Arunava; Midya, Priyanka R.; Kumar, E. Mathan; Chattopadhyay, Kalyan K.

2017-06-01

Here we report, structural and electrical transport properties of reduced graphene oxide as a function of oxygen bonding configuration. We find that mainly epoxy (Csbnd Osbnd C) and carbonyl (Cdbnd O) functional groups remain as major residual components after reduction using three different reducing agents. We calculate the band structure in the presence of epoxy and carbonyl groups and defects. Finally, we calculate the theoretical band mobility and find that it is less for the carbonyl with epoxy system. We correlate the distortion of linear dispersion and opening of bandgap at K-point with conductance for different graphene system in presence of oxygen moieties.

Dynamic mechanical properties of a Ti-based metallic glass matrix composite

NASA Astrophysics Data System (ADS)

Li, Jinshan; Cui, Jing; Qiao, Jichao; Bai, Jie; Kou, Hongchao; Wang, Jun

2015-04-01

Dynamic mechanical behavior of a Ti50Zr20Nb12Cu5Be13 bulk metallic glass composite was investigated using mechanical spectroscopy in both temperature and frequency domains. Storage modulus G' and loss modulus G″ are determined by temperature, and three distinct regions corresponding to different states in the bulk metallic glass composite are characterized. Physical parameters, such as atomic mobility and correlation factor χ, are introduced to analyze dynamic mechanical behavior of the bulk metallic glass composite in the framework of quasi-point defects (QPD) model. The experimental results are in good agreement with the prediction of QPD model.

Dynamic mechanical properties of a Ti-based metallic glass matrix composite

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

Li, Jinshan, E-mail: ljsh@nwpu.edu.cn; Cui, Jing; Bai, Jie

2015-04-21

Dynamic mechanical behavior of a Ti{sub 50}Zr{sub 20}Nb{sub 12}Cu{sub 5}Be{sub 13} bulk metallic glass composite was investigated using mechanical spectroscopy in both temperature and frequency domains. Storage modulus G′ and loss modulus G″ are determined by temperature, and three distinct regions corresponding to different states in the bulk metallic glass composite are characterized. Physical parameters, such as atomic mobility and correlation factor χ, are introduced to analyze dynamic mechanical behavior of the bulk metallic glass composite in the framework of quasi-point defects (QPD) model. The experimental results are in good agreement with the prediction of QPD model.

Pre-clinical and Clinical Evaluation of High Resolution, Mobile Gamma Camera and Positron Imaging Devices

DTIC Science & Technology

2009-10-01

Field-of-View, Mobile PET/SPECT System for Bedside Environments: A Dynamic Cardiac Phantom Study using 99mTc and 18F- FDG . Presented at the American...using Tc-99m tracers and viability imaging using F- 18 tracers [3]-[7]. For cardiac F-18 imaging in a bedside environment, the 511 keV SPECT approach...SPECT system may have difficulty imaging subtle myocardial defects with F-18 tracers , but it may effectively image moderate to severe defects. The

Effective scheme to determine accurate defect formation energies and charge transition levels of point defects in semiconductors

NASA Astrophysics Data System (ADS)

Yao, Cang Lang; Li, Jian Chen; Gao, Wang; Tkatchenko, Alexandre; Jiang, Qing

2017-12-01

We propose an effective method to accurately determine the defect formation energy Ef and charge transition level ɛ of the point defects using exclusively cohesive energy Ecoh and the fundamental band gap Eg of pristine host materials. We find that Ef of the point defects can be effectively separated into geometric and electronic contributions with a functional form: Ef=χ Ecoh+λ Eg , where χ and λ are dictated by the geometric and electronic factors of the point defects (χ and λ are defect dependent). Such a linear combination of Ecoh and Eg reproduces Ef with an accuracy better than 5% for electronic structure methods ranging from hybrid density-functional theory (DFT) to many-body random-phase approximation (RPA) and experiments. Accordingly, ɛ is also determined by Ecoh/Eg and the defect geometric/electronic factors. The identified correlation is rather general for monovacancies and interstitials, which holds in a wide variety of semiconductors covering Si, Ge, phosphorenes, ZnO, GaAs, and InP, and enables one to obtain reliable values of Ef and ɛ of the point defects for RPA and experiments based on semilocal DFT calculations.

Elastic dipoles of point defects from atomistic simulations

NASA Astrophysics Data System (ADS)

Varvenne, Céline; Clouet, Emmanuel

2017-12-01

The interaction of point defects with an external stress field or with other structural defects is usually well described within continuum elasticity by the elastic dipole approximation. Extraction of the elastic dipoles from atomistic simulations is therefore a fundamental step to connect an atomistic description of the defect with continuum models. This can be done either by a fitting of the point-defect displacement field, by a summation of the Kanzaki forces, or by a linking equation to the residual stress. We perform here a detailed comparison of these different available methods to extract elastic dipoles, and show that they all lead to the same values when the supercell of the atomistic simulations is large enough and when the anharmonic region around the point defect is correctly handled. But, for small simulation cells compatible with ab initio calculations, only the definition through the residual stress appears tractable. The approach is illustrated by considering various point defects (vacancy, self-interstitial, and hydrogen solute atom) in zirconium, using both empirical potentials and ab initio calculations.

Moving from Survival to Healthy Survival through Child Health Screening and Early Intervention Services Under Rashtriya Bal Swasthya Karyakram (RBSK).

PubMed

Singh, Arun K; Kumar, Rakesh; Mishra, C K; Khera, Ajay; Srivastava, Anubhav

2015-11-01

For negating the impact of early adversities on the development and ensuring a healthy, dynamic future for all children, Ministry of Health and Family Welfare in 2013 launched a programme for child health screening and early intervention services as Rashtriya Bal Swasthya Karyakram (RBSK) which aims to improve the quality of life with special focus on improving cognition and survival outcomes for "at risk" children. It has a systemic approach of prevention, early identification and management of 30 health conditions distributed under 4Ds: Defects at birth, Diseases, Deficiencies and Developmental delays including Disabilities spread over birth to 18 y of age in a holistic manner. There is a dedicated 4 member Mobile Health team for community screening and a dedicated 14 member team at District Early Intervention Center (DEIC) for comprehensive management. Existing health infrastructure and personnel are also integrated and utilized in this endeavor. Defects at birth are screened at Delivery points, home visits by accredited social health activist (ASHA), Anganwadi centers and at schools. Developmental delays are evaluated at DEIC through a multidisciplinary team with interdisciplinary approach. Five thousand four hundred eighteen dedicated Mobile Health teams have screened a total of 12.19 crore children till Dec.14. From April to Dec. 2014, 4.20 crore children were screened, of which birth to 6-y-old children were 2.13 crore while 2.07 crore were from 6 to 18 y. 17.7 lakh children were referred to tertiary centers and 6.2 lakh availed tertiary care. 50.7 lakhs were found positive for 4Ds; 1.35 lakhs were birth defects. RBSK is a step towards universal health care for free assured services.

32 CFR 751.6 - Claims payable.

Code of Federal Regulations, 2013 CFR

2013-07-01

... (JFTR), rather than as a loss incident to service. (d) Mobile homes and contents in shipment. Claims for damage to mobile homes and contents in shipment are payable unless the damage was caused by structural or mechanical defects or by the claimant's negligence in securing the mobile home or packing its contents. (e...

32 CFR 751.6 - Claims payable.

Code of Federal Regulations, 2014 CFR

2014-07-01

... (JFTR), rather than as a loss incident to service. (d) Mobile homes and contents in shipment. Claims for damage to mobile homes and contents in shipment are payable unless the damage was caused by structural or mechanical defects or by the claimant's negligence in securing the mobile home or packing its contents. (e...

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

Perriot, Romain; Uberuaga, Blas P.

We use molecular dynamics simulations to investigate the role of cation disorder on oxygen diffusion in Gd 2Zr 2O 7 (GZO) and Gd 2Ti 2O 7 (GTO) pyrochlores, a class of complex oxides which contain a structural vacancy relative to the basic fluorite structure. The introduction of disorder has distinct effects depending on the chemistry of the material, increasing the mobility of structural carriers by up to four orders of magnitude in GZO. In contrast, in GTO, there is no mobility at zero or low disorder on the ns timescale, but higher disorder liberates the otherwise immobile carriers, allowing diffusionmore » with rates comparable to GZO for the fully disordered material. Here, we show that the cation disorder enhances the diffusivity by both increasing the concentration of mobile structural carriers and their individual mobility. The disorder also influences the diffusion in materials containing intrinsic carriers, such as additional vacancies VO or oxygen interstitials OI. And while in ordered GZO and GTO the contribution of the intrinsic carriers dominates the overall diffusion of oxygen, OI in GZO contributes along with structural carriers, and the total diffusion rate can be calculated by assuming simple additive contributions from the two sources. Although the disorder in the materials with intrinsic defects usually enhances the diffusivity as in the defect-free case, in low concentrations, cation antisites AB or BA, where A = Gd and B = Zr or Ti, can act as traps for fast intrinsic defects. The trapping results in a lowering of the diffusivity, and causes a non-monotonic behavior of the diffusivity with disorder. Conversely, in the case of slow intrinsic defects, the main effect of the disorder is to liberate the structural carriers, resulting in an increase of the diffusivity regardless of the defect trapping.« less

Implementation of ZnO/ZnMgO strained-layer superlattice for ZnO heteroepitaxial growth on sapphire

NASA Astrophysics Data System (ADS)

Petukhov, Vladimir; Bakin, Andrey; Tsiaoussis, Ioannis; Rothman, Johan; Ivanov, Sergey; Stoemenos, John; Waag, Andreas

2011-05-01

The main challenge in fabrication of ZnO-based devices is the absence of reliable p-type material. This is mostly caused by insufficient crystalline quality of the material and not well-enough-developed native point defect control of ZnO. At present high-quality ZnO wafers are still expensive and ZnO heteroepitaxial layers on sapphire are the most reasonable alternative to homoepitaxial layers. But it is still necessary to improve the crystalline quality of the heteroepitaxial layers. One of the approaches to reduce defect density in heteroepitaxial layers is to introduce a strained-layer superlattice (SL) that could stop dislocation propagation from the substrate-layer interface. In the present paper we have employed fifteen periods of a highly strained SL structure. The structure was grown on a conventional double buffer layer comprising of high-temperature MgO/low-temperature ZnO on sapphire. The influence of the SLs on the properties of the heteroepitaxial ZnO layers is investigated. Electrical measurements of the structure with SL revealed very high values of the carrier mobility up to 210 cm2/Vs at room temperature. Structural characterization of the obtained samples showed that the dislocation density in the following ZnO layer was not reduced. The high mobility signal appears to come from the SL structure or the SL/ZnO interface.

Non-contact, non-destructive, quantitative probing of interfacial trap sites for charge carrier transport at semiconductor-insulator boundary

NASA Astrophysics Data System (ADS)

Choi, Wookjin; Miyakai, Tomoyo; Sakurai, Tsuneaki; Saeki, Akinori; Yokoyama, Masaaki; Seki, Shu

2014-07-01

The density of traps at semiconductor-insulator interfaces was successfully estimated using microwave dielectric loss spectroscopy with model thin-film organic field-effect transistors. The non-contact, non-destructive analysis technique is referred to as field-induced time-resolved microwave conductivity (FI-TRMC) at interfaces. Kinetic traces of FI-TRMC transients clearly distinguished the mobile charge carriers at the interfaces from the immobile charges trapped at defects, allowing both the mobility of charge carriers and the number density of trap sites to be determined at the semiconductor-insulator interfaces. The number density of defects at the interface between evaporated pentacene on a poly(methylmethacrylate) insulating layer was determined to be 1012 cm-2, and the hole mobility was up to 6.5 cm2 V-1 s-1 after filling the defects with trapped carriers. The FI-TRMC at interfaces technique has the potential to provide rapid screening for the assessment of interfacial electronic states in a variety of semiconductor devices.

Point Defect Properties of Cd(Zn)Te and TlBr for Room-Temperature Gamma Radiation Detectors

NASA Astrophysics Data System (ADS)

Lordi, Vincenzo

2013-03-01

The effects of various crystal defects in CdTe, Cd1-xZnxTe (CZT), and TlBr are critical for their performance as room-temperature gamma radiation detectors. We use predictive first principles theoretical methods to provide fundamental, atomic scale understanding of the defect properties of these materials to enable design of optimal growth and processing conditions, such as doping, annealing, and stoichiometry. Several recent cases will be reviewed, including (i) accurate calculations of the thermodynamic and electronic properties of native point defects and point defect complexes in CdTe and CZT; (ii) the effects of Zn alloying on the native point defect properties of CZT; (iii) point defect diffusion and binding related to Te clustering in Cd(Zn)Te; (iv) the profound effect of native point defects--principally vacancies--on the intrinsic material properties of TlBr, particularly electronic and ionic conductivity; (v) tailored doping of TlBr to independently control the electronic and ionic conductivity; and (vi) the effects of metal impurities on the electronic properties and device performance of TlBr detectors. Prepared by LLNL under Contract DE-AC52-07NA27344 with support from the National Nuclear Security Administration Office of Nonproliferation and Verification Research and Development NA-22.

Si-compatible cleaning process for graphene using low-density inductively coupled plasma.

PubMed

Lim, Yeong-Dae; Lee, Dae-Yeong; Shen, Tian-Zi; Ra, Chang-Ho; Choi, Jae-Young; Yoo, Won Jong

2012-05-22

We report a novel cleaning technique for few-layer graphene (FLG) by using inductively coupled plasma (ICP) of Ar with an extremely low plasma density of 3.5 × 10(8) cm(-3). It is known that conventional capacitively coupled plasma (CCP) treatments destroy the planar symmetry of FLG, giving rise to the generation of defects. However, ICP treatment with extremely low plasma density is able to remove polymer resist residues from FLG within 3 min at a room temperature of 300 K while retaining the carbon sp(2)-bonding of FLG. It is found that the carrier mobility and charge neutrality point of FLG are restored to their pristine defect-free state after the ICP treatment. Considering the application of graphene to silicon-based electronic devices, such a cleaning method can replace thermal vacuum annealing, electrical current annealing, and wet-chemical treatment due to its advantages of being a low-temperature, large-area, high-throughput, and Si-compatible process.

[Open double-row rotator cuff repair using the LASA-DR screw].

PubMed

Schoch, C; Geyer, S; Geyer, M

2016-02-01

Safe and cost-effective rotator-cuff repair. All types of rotator cuff lesions. Frozen shoulder, rotator cuff mass defect, defect arthropathy. Extensive four-point fixation on the bony footprint is performed using the double-row lateral augmentation screw anchor (LASA-DR) with high biomechanical stability. Following mobilization of the tendons, these are refixed in the desired configuration first medially and then laterally. To this end, two drilling channels (footprint and lateral tubercle) are created for each screw. Using the shuttle technique, a suture anchor screw is reinforced with up to four pairs of threads. The medial row is then pierced and tied, and the sutures that have been left long are tied laterally around the screw heads (double row). 4 Weeks abduction pillow, resulting in passive physiotherapy, followed by initiation of active assisted physiotherapy. Full weight-bearing after 4-6 months. Prospective analysis of 35 consecutive Bateman-III lesions with excellent results and low rerupture rate (6%).

Ab initio simulations of the structure, energetics and mobility of radiation-induced point defects in bcc Nb

NASA Astrophysics Data System (ADS)

Cerdeira, M. A.; Palacios, S. L.; González, C.; Fernández-Pello, D.; Iglesias, R.

2016-09-01

The formation, binding and migration energetics of helium clusters inside a niobium crystal have been analysed via ab initio simulations. The effect of placing several He atoms within an n-vacancy previously formed or as interstitials inside the initial perfect bulk matrix has been studied. DFT-based results show that He atoms prefer to aggregate forming small clusters at n-vacancy sites rather than at interstitial positions in the perfect crystal. The minimum formation energy is found when NHe is equal to the number of vacancies, n. It follows that vacancies act as almost perfect traps for He atoms, as is well known for other metals. The migration barriers of He atoms inside vacancies increase considerably when compared to what happens for vacancies alone. A secondary consequence is that the full set of energies obtained will be highly relevant as an input for new approaches to KMC simulations of defects in Nb.

Band edge states, intrinsic defects, and dopants in monolayer HfS2 and SnS2

NASA Astrophysics Data System (ADS)

Lu, Haichang; Guo, Yuzheng; Robertson, John

2018-02-01

Although monolayer HfS2 and SnS2 do not have a direct bandgap like MoS2, they have much higher carrier mobilities. Their band offsets are favorable for use with WSe2 in tunnel field effect transistors. Here, we study the effective masses, intrinsic defects, and substitutional dopants of these dichalcogenides. We find that HfS2 has surprisingly small effective masses for a compound that might appear partly ionic. The S vacancy in HfS2 is found to be a shallow donor while that in SnS2 is a deep donor. Substitutional dopants at the S site are found to be shallow. This contrasts with MoS2 where donors and acceptors are not always shallow or with black phosphorus where dopants can reconstruct into deep non-doping configurations. It is pointed out that HfS2 is more favorable than MoS2 for semiconductor processing because it has the more convenient CVD precursors developed for growing HfO2.

Role of pre-existing point defects on primary damage production and amorphization in silicon carbide (β-SiC)

NASA Astrophysics Data System (ADS)

Sahoo, Deepak Ranjan; Szlufarska, Izabela; Morgan, Dane; Swaminathan, Narasimhan

2018-01-01

Molecular dynamics simulations of displacement cascades were conducted to study the effect of point defects on the primary damage production in β-SiC. Although all types of point defects and Frenkel pairs were considered, Si interstitials and Si Frenkel pairs were unstable and hence excluded from the cascade studies. Si (C) vacancies had the maximum influence, enhancing C (Si) antisites and suppressing C interstitial production, when compared to the sample without any defects. The intracascade recombination mechanisms, in the presence of pre-existing defects, is explored by examining the evolution of point defects during the cascade. To ascertain the role of the unstable Si defects on amorphization, simulations involving explicit displacements of Si atoms were conducted. The dose to amorphization with only Si displacements was much lower than what was observed with only C displacements. The release of elastic energy accumulated due to Si defects, is found to be the amorphizing mechanism.

Effects of intrinsic and extrinsic point defects on epitaxial single crystal copper-indium(1-x)-gallium(x)-diselenide

NASA Astrophysics Data System (ADS)

Schroeder, David James

From the results presented here a number of conclusions regarding the effects of point defects on the properties of epitaxial single crystal CuInsb{1-x}Gasb{x}Sesb2 (CIGS) may be drawn. These conclusions may be divided into three categories: the effects of point defects on Ga diffusion and diffusivity, the influence of impurities and alloying elements on doping and mobility, and the effects of impurities on minority carrier recombination kinetics. The diffusivity of Ga into CIGS during growth was found to be strongly dependent of the Cu/In ratio of the growing layer. Diffusivity ranged from a minimum of 2.7×10sp{-13}\\ cmsp2/s at Cu/In = 0.94 to 5 × 10sp{-11} cmsp2/s at Cu/In = 1.41 and 7×10sp{-12} cmsp2/s at Cu/In = 0.43. The diffusion occurred by a vacancy mechanism with Ga, apparently, diffusing through either Cu or In vacancies. The sharp change in diffusivity with changing Cu/In ratio helps to explain the difficulty in maintaining a desired Ga profile in polycrystalline CIGS device absorber layers. Increasing Ga content was found to increase both acceptor and donor density. The decrease in Jsbsc found in Ga-containing polycrystalline devices, is likely caused by a large increase in acceptor density, which may cause less inversion of the surface of the p-type CIGS making the junction more sensitive to surface states. The effect of adding Na by diffusion from either NaOH or Nasp2Se was to reduce the donor density. These results help to explain results in polycrystalline CIGS devices where Na increased hole concentrations, Vsboc, and device efficiency. Unlike Ga and Na, Cr and Se were not found to have any strong effect when added in concentrations ≤10sp{19} cmsp{-3} using ion implantation. The lack of an effect of Se on doping conclusively determines that Na has an effect beyond simply introducing either O or Se into the bulk of the CIGS. While both implanted Se and Cr created large numbers of donors and acceptors before being annealed, both caused a decrease in acceptor concentration after annealing with the effect of Cr being larger than that of Se. Both Se and Cr reduced hole mobility over the entire temperature range investigated. These results imply that CIGS-based devices should be insensitive to accidental transition metal contamination. The steady state photoconductivity of samples which had been ion implanted with Se and Cr, as well as samples which were contaminated with Na by diffusion, was measured. These measurements were made to determine whether contamination by these elements or severe radiation damage affects minority carrier recombination kinetics. In all cases the photoconductivity was found to be unaffected other than by changes in mobility. (Abstract shortened by UMI.)

Identifying and counting point defects in carbon nanotubes.

PubMed

Fan, Yuwei; Goldsmith, Brett R; Collins, Philip G

2005-12-01

The prevailing conception of carbon nanotubes and particularly single-walled carbon nanotubes (SWNTs) continues to be one of perfectly crystalline wires. Here, we demonstrate a selective electrochemical method that labels point defects and makes them easily visible for quantitative analysis. High-quality SWNTs are confirmed to contain one defect per 4 microm on average, with a distribution weighted towards areas of SWNT curvature. Although this defect density compares favourably to high-quality, silicon single-crystals, the presence of a single defect can have tremendous electronic effects in one-dimensional conductors such as SWNTs. We demonstrate a one-to-one correspondence between chemically active point defects and sites of local electronic sensitivity in SWNT circuits, confirming the expectation that individual defects may be critical to understanding and controlling variability, noise and chemical sensitivity in SWNT electronic devices. By varying the SWNT synthesis technique, we further show that the defect spacing can be varied over orders of magnitude. The ability to detect and analyse point defects, especially at very low concentrations, indicates the promise of this technique for quantitative process analysis, especially in nanoelectronics development.

Extraordinary Thermoelectric Performance Realized in Hierarchically Structured AgSbSe2 with Ultralow Thermal Conductivity.

PubMed

Gao, Weihong; Wang, Zhenyou; Huang, Jin; Liu, Zihang

2018-05-24

Thermoelectric conversion from low-grade heat to electricity is regarded as the highly reliable and environmentally friendly technology in energy-harvesting area. However, how to develop efficient thermoelectric materials using a simple fabrication method is still a critical challenge in thermoelectric community. Here, we first fabricate the high thermoelectric performance of Ca-doped AgSbSe 2 with a hierarchical microstructure using a facile approach, namely, mechanical alloying (for only 30 min) and a quick hot-pressing method. The hierarchical microstructure, including point defects (atomic scale), dislocations, and nanoprecipitates (nanoscale) as well as grain boundaries (microscale), strongly scatters phonons with comparable sizes without deterioration of carrier mobility. Because of the higher carrier concentration of nanostructured AgSbSe 2 than that of coarse-grain AgSbSe 2 , power factor can also be improved slightly after nanostructuring. Ca doping further optimizes the carrier concentration and creates the point-defect scattering of phonons, leading to the ultralow lattice thermal conductivity ∼0.27 W m -1 K -1 at 673 K and thus largely improving the peak ZT up to 1.2. The high thermoelectric performance in combination with a facile fabrication method highlights AgSbSe 2 -based materials as robust thermoelectric candidates for energy harvesting.

New Insights into Intrinsic Point Defects in V2VI3 Thermoelectric Materials.

PubMed

Zhu, Tiejun; Hu, Lipeng; Zhao, Xinbing; He, Jian

2016-07-01

Defects and defect engineering are at the core of many regimes of material research, including the field of thermoelectric study. The 60-year history of V 2 VI 3 thermoelectric materials is a prime example of how a class of semiconductor material, considered mature several times, can be rejuvenated by better understanding and manipulation of defects. This review aims to provide a systematic account of the underexplored intrinsic point defects in V 2 VI 3 compounds, with regard to (i) their formation and control, and (ii) their interplay with other types of defects towards higher thermoelectric performance. We herein present a convincing case that intrinsic point defects can be actively controlled by extrinsic doping and also via compositional, mechanical, and thermal control at various stages of material synthesis. An up-to-date understanding of intrinsic point defects in V 2 VI 3 compounds is summarized in a (χ, r)-model and applied to elucidating the donor-like effect. These new insights not only enable more innovative defect engineering in other thermoelectric materials but also, in a broad context, contribute to rational defect design in advanced functional materials at large.

Understanding the Irradiation Behavior of Zirconium Carbide

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

Motta, Arthur; Sridharan, Kumar; Morgan, Dane

2013-10-11

Zirconium carbide (ZrC) is being considered for utilization in high-temperature gas-cooled reactor fuels in deep-burn TRISO fuel. Zirconium carbide possesses a cubic B1-type crystal structure with a high melting point, exceptional hardness, and good thermal and electrical conductivities. The use of ZrC as part of the TRISO fuel requires a thorough understanding of its irradiation response. However, the radiation effects on ZrC are still poorly understood. The majority of the existing research is focused on the radiation damage phenomena at higher temperatures (>450{degree}C) where many fundamental aspects of defect production and kinetics cannot be easily distinguished. Little is known aboutmore » basic defect formation, clustering, and evolution of ZrC under irradiation, although some atomistic simulation and phenomenological studies have been performed. Such detailed information is needed to construct a model describing the microstructural evolution in fast-neutron irradiated materials that will be of great technological importance for the development of ZrC-based fuel. The goal of the proposed project is to gain fundamental understanding of the radiation-induced defect formation in zirconium carbide and irradiation response by using a combination of state-of-the-art experimental methods and atomistic modeling. This project will combine (1) in situ ion irradiation at a specialized facility at a national laboratory, (2) controlled temperature proton irradiation on bulk samples, and (3) atomistic modeling to gain a fundamental understanding of defect formation in ZrC. The proposed project will cover the irradiation temperatures from cryogenic temperature to as high as 800{degree}C, and dose ranges from 0.1 to 100 dpa. The examination of this wide range of temperatures and doses allows us to obtain an experimental data set that can be effectively used to exercise and benchmark the computer calculations of defect properties. Combining the examination of radiation-induced microstructures mapped spatially and temporally, microstructural evolution during post-irradiation annealing, and atomistic modeling of defect formation and transport energetics will provide new, critical understanding about property changes in ZrC. The behavior of materials under irradiation is determined by the balance between damage production, defect clustering, and lattice response. In order to predict those effects at high temperatures so targeted testing can be expanded and extrapolated beyond the known database, it is necessary to determine the defect energetics and mobilities as these control damage accumulation and annealing. In particular, low-temperature irradiations are invaluable for determining the regions of defect mobility. Computer simulation techniques are particularly useful for identifying basic defect properties, especially if closely coupled with a well-constructed and complete experimental database. The close coupling of calculation and experiment in this project will provide mutual benchmarking and allow us to glean a deeper understanding of the irradiation response of ZrC, which can then be applied to the prediction of its behavior in reactor conditions.« less

Record surface state mobility and quantum Hall effect in topological insulator thin films via interface engineering

DOE PAGES

Koirala, Nikesh; Han, Myung -Geun; Brahlek, Matthew; ...

2015-11-19

Material defects remain as the main bottleneck to the progress of topological insulators (TIs). In particular, efforts to achieve thin TI samples with dominant surface transport have always led to increased defects and degraded mobilities, thus making it difficult to probe the quantum regime of the topological surface states. Here, by utilizing a novel buffer layer scheme composed of an In 2Se 3/(Bi 0.5In 0.5) 2Se 3 heterostructure, we introduce a quantum generation of Bi 2Se 3 films with an order of magnitude enhanced mobilities than before. Furthermore, this scheme has led to the first observation of the quantum Hallmore » effect in Bi 2Se 3.« less

Defects and properties of cadmium oxide based transparent conductors

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

Yu, Kin Man, E-mail: kinmanyu@cityu.edu.hk; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720; Detert, D. M.

Transparent conductors play an increasingly important role in a number of semiconductor technologies. This paper reports on the defects and properties of Cadmium Oxide, a transparent conducting oxide which can be potentially used for full spectrum photovoltaics. We carried out a systematic investigation on the effects of defects in CdO thin films undoped and intentionally doped with In and Ga under different deposition and annealing conditions. We found that at low growth temperatures (<200 °C), sputter deposition tends to trap both oxygen vacancies and compensating defects in the CdO film resulting in materials with high electron concentration of ∼2 × 10{sup 20}/cm{sup 3}more » and mobility in the range of 40–100 cm{sup 2}/V s. Thermal annealing experiments in different ambients revealed that the dominating defects in sputtered CdO films are oxygen vacancies. Oxygen rich CdO films grown by sputtering with increasing O{sub 2} partial pressure in the sputter gas mixture results in films with resistivity from ∼4 × 10{sup −4} to >1 Ω cm due to incorporation of excess O in the form of O-related acceptor defects, likely to be O interstitials. Intentional doping with In and Ga donors leads to an increase of both the electron concentration and the mobility. With proper doping CdO films with electron concentration of more than 10{sup 21 }cm{sup −3} and electron mobility higher than 120 cm{sup 2}/V s can be achieved. Thermal annealing of doped CdO films in N{sub 2} ambient can further improve the electrical properties by removing native acceptors and improving film crystallinity. Furthermore, the unique doping behavior and electrical properties of CdO were explored via simulations based on the amphoteric defect model. A comparison of the calculations and experimental results show that the formation energy of native donors and acceptors at the Fermi stabilization energy is ∼1 eV and that the mobility of sputtered deposited CdO is limited by a background acceptor concentration of ∼5–6 × 10{sup 20}/cm{sup 3}. The calculations offer an insight into understanding of the effects of defects on electrical properties of undoped and doped CdO and offer a potential to use similar methods to analyze doping and defect properties of other semiconductor materials.« less

Compact Models for Defect Diffusivity in Semiconductor Alloys.

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

Wright, Alan F.; Modine, Normand A.; Lee, Stephen R.

Predicting transient effects caused by short - pulse neutron irradiation of electronic devices is an important part of Sandia's mission. For example , predicting the diffusion of radiation - induced point defects is needed with in Sandia's Qualification Alternative to the Sandia Pulsed Reactor (QASPR) pro gram since defect diffusion mediates transient gain recovery in QASPR electronic devices. Recently, the semiconductors used to fabricate radiation - hard electronic devices have begun to shift from silicon to III - V compounds such as GaAs, InAs , GaP and InP . An advantage of this shift is that it allows engineers tomore » optimize the radiation hardness of electronic devices by using alloy s such as InGaAs and InGaP . However, the computer codes currently being used to simulate transient radiation effects in QASP R devices will need to be modified since they presume that defect properties (charge states, energy levels, and diffusivities) in these alloys do not change with time. This is not realistic since the energy and properties of a defect depend on the types of atoms near it and , therefore, on its location in the alloy. In particular, radiation - induced defects are created at nearly random locations in an alloy and the distribution of their local environments - and thus their energies and properties - evolves with time as the defects diffuse through the alloy . To incorporate these consequential effects into computer codes used to simulate transient radiation effects, we have developed procedures to accurately compute the time dependence of defect energies and properties and then formulate them within compact models that can be employed in these computer codes. In this document, we demonstrate these procedures for the case of the highly mobile P interstitial (I P ) in an InGaP alloy. Further dissemination only as authorized to U.S. Government agencies and their contractors; other requests shall be approved by the originating facility or higher DOE programmatic authority.« less

Defect chemistry and characterization of Hg(1-x)Cd(x)Te

NASA Technical Reports Server (NTRS)

Vydyanath, H. R.

1981-01-01

Undoped mercury cadmium telluride crystals were subjected to high temperature equilibration at temperatures ranging from 400 C to 655 C in various Hg atmospheres. Hall effect and mobility measurements were carried out on the crystals quenched to room temperature subsequent to the high temperature equilibration. The variation of the hole concentration in the cooled crystals at 77 K as a function of the partial pressure of Hg at the equlibration temperatures, together with a comparison of the hole mobility in the undoped samples with that in the copper and phosphorous doped samples yielded a defect model for the undoped crystals, according to which, the undoped crystals are essentially intrinsic at the equilibration temperatures and the native acceptor defects are doubly ionized. Native donor defects appear to be negligible in concentration, implying that the p to n conversion in these alloys is mainly due to residual foreign donor impurities. The thermodynamic constants for the intrinsic excitation process as well as for the incorporation of the doubly ionized native acceptor defects in the undoped crystals were obtained.

The influence of interfacial defects on fast charge trapping in nanocrystalline oxide-semiconductor thin film transistors

NASA Astrophysics Data System (ADS)

Kim, Taeho; Hur, Jihyun; Jeon, Sanghun

2016-05-01

Defects in oxide semiconductors not only influence the initial device performance but also affect device reliability. The front channel is the major carrier transport region during the transistor turn-on stage, therefore an understanding of defects located in the vicinity of the interface is very important. In this study, we investigated the dynamics of charge transport in a nanocrystalline hafnium-indium-zinc-oxide thin-film transistor (TFT) by short pulse I-V, transient current and 1/f noise measurement methods. We found that the fast charging behavior of the tested device stems from defects located in both the front channel and the interface, following a multi-trapping mechanism. We found that a silicon-nitride stacked hafnium-indium-zinc-oxide TFT is vulnerable to interfacial charge trapping compared with silicon-oxide counterpart, causing significant mobility degradation and threshold voltage instability. The 1/f noise measurement data indicate that the carrier transport in a silicon-nitride stacked TFT device is governed by trapping/de-trapping processes via defects in the interface, while the silicon-oxide device follows the mobility fluctuation model.

Effect of point defects and disorder on structural phase transitions

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

Toulouse, J.

1997-06-01

Since the beginning in 1986, the object of this project has been Structural Phase Transitions (SPT) in real as opposed to ideal materials. The first stage of the study has been centered around the role of Point Defects in SPT`s. Our intent was to use the previous knowledge we had acquired in the study of point defects in non-transforming insulators and apply it to the study of point defects in insulators undergoing phase transitions. In non-transforming insulators, point defects, in low concentrations, marginally affect the bulk properties of the host. It is nevertheless possible by resonance or relaxation methods tomore » study the point defects themselves via their local motion. In transforming solids, however, close to a phase transition, atomic motions become correlated over very large distances; there, even point defects far removed from one another can undergo correlated motions which may strongly affect the transition behavior of the host. Near a structural transition, the elastic properties win be most strongly affected so as to either raise or decrease the transition temperature, prevent the transition from taking place altogether, or simply modify its nature and the microstructure or domain structure of the resulting phase. One of the well known practical examples is calcium-stabilized zirconia in which the high temperature cubic phase is stabilized at room temperature with greatly improved mechanical properties.« less

Automated exterior inspection of an aircraft with a pan-tilt-zoom camera mounted on a mobile robot

NASA Astrophysics Data System (ADS)

Jovančević, Igor; Larnier, Stanislas; Orteu, Jean-José; Sentenac, Thierry

2015-11-01

This paper deals with an automated preflight aircraft inspection using a pan-tilt-zoom camera mounted on a mobile robot moving autonomously around the aircraft. The general topic is image processing framework for detection and exterior inspection of different types of items, such as closed or unlatched door, mechanical defect on the engine, the integrity of the empennage, or damage caused by impacts or cracks. The detection step allows to focus on the regions of interest and point the camera toward the item to be checked. It is based on the detection of regular shapes, such as rounded corner rectangles, circles, and ellipses. The inspection task relies on clues, such as uniformity of isolated image regions, convexity of segmented shapes, and periodicity of the image intensity signal. The approach is applied to the inspection of four items of Airbus A320: oxygen bay handle, air-inlet vent, static ports, and fan blades. The results are promising and demonstrate the feasibility of an automated exterior inspection.

Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial and heteroepitaxial n-GaN [Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial n-GaN

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

Collins, K. C.; Armstrong, Andrew M.; Allerman, Andrew A.

Here, inherent advantages of wide bandgap materials make GaN-based devices attractive for power electronics and applications in radiation environments. Recent advances in the availability of wafer-scale, bulk GaN substrates have enabled the production of high quality, low defect density GaN devices, but fundamental studies of carrier transport and radiation hardness in such devices are lacking. Here, we report measurements of the hole diffusion length in low threading dislocation density (TDD), homoepitaxial n-GaN, and high TDD heteroepitaxial n-GaN Schottky diodes before and after irradiation with 2.5 MeV protons at fluences of 4–6 × 10 13 protons/cm 2. We also characterize themore » specimens before and after irradiation using electron beam-induced-current (EBIC) imaging, cathodoluminescence, deep level optical spectroscopy (DLOS), steady-state photocapacitance, and lighted capacitance-voltage (LCV) techniques. We observe a substantial reduction in the hole diffusion length following irradiation (50%–55%) and the introduction of electrically active defects which could be attributed to gallium vacancies and associated complexes (V Ga-related), carbon impurities (C-related), and gallium interstitials (Ga i). EBIC imaging suggests long-range migration and clustering of radiation-induced point defects over distances of ~500 nm, which suggests mobile Ga i. Following irradiation, DLOS and LCV reveal the introduction of a prominent optical energy level at 1.9 eV below the conduction band edge, consistent with the introduction of Ga i.« less

Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial and heteroepitaxial n-GaN [Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial n-GaN

DOE PAGES

Collins, K. C.; Armstrong, Andrew M.; Allerman, Andrew A.; ...

2017-12-21

Here, inherent advantages of wide bandgap materials make GaN-based devices attractive for power electronics and applications in radiation environments. Recent advances in the availability of wafer-scale, bulk GaN substrates have enabled the production of high quality, low defect density GaN devices, but fundamental studies of carrier transport and radiation hardness in such devices are lacking. Here, we report measurements of the hole diffusion length in low threading dislocation density (TDD), homoepitaxial n-GaN, and high TDD heteroepitaxial n-GaN Schottky diodes before and after irradiation with 2.5 MeV protons at fluences of 4–6 × 10 13 protons/cm 2. We also characterize themore » specimens before and after irradiation using electron beam-induced-current (EBIC) imaging, cathodoluminescence, deep level optical spectroscopy (DLOS), steady-state photocapacitance, and lighted capacitance-voltage (LCV) techniques. We observe a substantial reduction in the hole diffusion length following irradiation (50%–55%) and the introduction of electrically active defects which could be attributed to gallium vacancies and associated complexes (V Ga-related), carbon impurities (C-related), and gallium interstitials (Ga i). EBIC imaging suggests long-range migration and clustering of radiation-induced point defects over distances of ~500 nm, which suggests mobile Ga i. Following irradiation, DLOS and LCV reveal the introduction of a prominent optical energy level at 1.9 eV below the conduction band edge, consistent with the introduction of Ga i.« less

40 CFR 85.1902 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements § 85.1902 Definitions. For the purposes...) which affects any parameter or specification enumerated in appendix VIII of this part; or (2) A defect..., components, systems, software or elements of design which must function properly to ensure continued...

40 CFR 85.1902 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-07-01

... POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements § 85.1902 Definitions. For the purposes...) which affects any parameter or specification enumerated in appendix VIII of this part; or (2) A defect..., components, systems, software or elements of design which must function properly to assure continued...

40 CFR 85.1902 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements § 85.1902 Definitions. For the purposes...) which affects any parameter or specification enumerated in appendix VIII of this part; or (2) A defect..., components, systems, software or elements of design which must function properly to ensure continued...

40 CFR 85.1902 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements § 85.1902 Definitions. For the purposes...) which affects any parameter or specification enumerated in appendix VIII of this part; or (2) A defect..., components, systems, software or elements of design which must function properly to ensure continued...

Sputter ripples and radiation-enhanced surface kinetics on Cu(001)

NASA Astrophysics Data System (ADS)

Chan, Wai Lun; Chason, Eric

2005-10-01

We have measured the temperature and flux dependence of the wavelength of surface ripples spontaneously formed by low-energy sputtering of a Cu(001) surface. We find that the temperature dependence of the ripple wavelength is non-Arrhenius, with a greater apparent activation at high temperature than at low temperature. Furthermore, the dependence of the wavelength on flux changes significantly with temperature. In the high-temperature regime, the wavelength decreases as the ion flux increases, while at low temperature, the wavelength is essentially independent of flux. We explain these results by a quantitative model that includes the mechanisms controlling the concentration of mobile defects on the surface in the two temperature regimes. At low temperature, mobile defects are induced by the ion beam while at higher temperature, the defects are thermally generated.

Identification of dopant-induced point defects and their effect on the performance of CZT detectors (Conference Presentation)

NASA Astrophysics Data System (ADS)

Gul, Rubi; Bolotnikov, Aleksey E.; Camarda, Giuseppe S.; Cui, Yonggang; Didic, Václav; Egarievwe, Stephen U.; Hossain, Anwar; Roy, Utpal N.; Yang, Ge; James, Ralph B.

2016-09-01

In our prior research we investigated room-temperature radiation detectors (CZT, CMT, CdMgTe, CTS, among other compound semiconductors) for point defects related to different dopants and impurities. In this talk we will report on our most recent research on newly grown CZT crystals doped with In, In+Al, In+Ni, and In+Sn. The main focus will be on the study of dopant-induced point defects using deep-level current transient spectroscopy (i-DLTS). In addition the performance, ? product, gamma-ray spectral response and internal electric field of the detectors were measured and correlated with the dopant-induced point defects and their concentrations. Characterization of the detectors was carried out using i-DLTS for the point defects, Pockels effect for the internal electric-field distribution, and γ-ray spectroscopy for the spectral properties.

Study of point- and cluster-defects in radiation-damaged silicon

NASA Astrophysics Data System (ADS)

Donegani, Elena M.; Fretwurst, Eckhart; Garutti, Erika; Klanner, Robert; Lindstroem, Gunnar; Pintilie, Ioana; Radu, Roxana; Schwandt, Joern

2018-08-01

Non-ionising energy loss of radiation produces point defects and defect clusters in silicon, which result in a significant degradation of sensor performance. In this contribution results from TSC (Thermally Stimulated Current) defect spectroscopy for silicon pad diodes irradiated by electrons to fluences of a few 1014 cm-2 and energies between 3.5 and 27 MeV for isochronal annealing between 80 and 280∘C, are presented. A method based on SRH (Shockley-Read-Hall) statistics is introduced, which assumes that the ionisation energy of the defects in a cluster depends on the fraction of occupied traps. The difference of ionisation energy of an isolated point defect and a fully occupied cluster, ΔEa, is extracted from the TSC data. For the VOi (vacancy-oxygen interstitial) defect ΔEa = 0 is found, which confirms that it is a point defect, and validates the method for point defects. For clusters made of deep acceptors the ΔEa values for different defects are determined after annealing at 80∘C as a function of electron energy, and for the irradiation with 15 MeV electrons as a function of annealing temperature. For the irradiation with 3.5 MeV electrons the value ΔEa = 0 is found, whereas for the electron energies of 6-27 MeV ΔEa > 0. This agrees with the expected threshold of about 5 MeV for cluster formation by electrons. The ΔEa values determined as a function of annealing temperature show that the annealing rate is different for different defects. A naive diffusion model is used to estimate the temperature dependencies of the diffusion of the defects in the clusters.

In vacancies in InN grown by plasma-assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Reurings, Floris; Tuomisto, Filip; Gallinat, Chad S.; Koblmüller, Gregor; Speck, James S.

2010-12-01

The authors have applied positron annihilation spectroscopy to study the effect of different growth conditions on vacancy formation in In- and N-polar InN grown by plasma-assisted molecular beam epitaxy. The results suggest that the structural quality of the material and limited diffusion of surface adatoms during growth dictate the In vacancy formation in low electron-density undoped epitaxial InN, while growth conditions and thermodynamics have a less important role, contrary to what is observed in, e.g., GaN. Furthermore, the results imply that in high quality InN, the electron mobility is likely limited not by ionized point defect scattering, but rather by threading dislocations.

Tuneable dielectric films having low electrical losses

DOEpatents

Dimos, Duane Brian; Schwartz, Robert William; Raymond, Mark Victor; Al-Shareef, Husam Niman; Mueller, Carl; Galt, David

2000-01-01

The present invention is directed to a method for forming dielectric thin films having substantially reduced electrical losses at microwave and millimeter wave frequencies relative to conventional dielectric thin films. The reduction in losses is realized by dramatically increasing the grain sizes of the dielectric films, thereby minimizing intergranular scattering of the microwave signal due to grain boundaries and point defects. The increase in grain size is realized by heating the film to a temperature at which the grains experience regrowth. The grain size of the films can be further increased by first depositing the films with an excess of one of the compoents, such that a highly mobile grain boundary phase is formed.

Defect reaction network in Si-doped InAs. Numerical predictions.

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

Schultz, Peter A.

This Report characterizes the defects in the def ect reaction network in silicon - doped, n - type InAs predicted with first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in Si - doped InAs , until culminating in immobile reaction p roducts. The defect reactions and reaction energies are tabulated, along with the properties of all the silicon - related defects in the reaction network. This Report serves to extend the results for the properties of intrinsic defects in bulkmore » InAs as colla ted in SAND 2013 - 2477 : Simple intrinsic defects in InAs : Numerical predictions to include Si - containing simple defects likely to be present in a radiation - induced defect reaction sequence . This page intentionally left blank« less

Non-contact, non-destructive, quantitative probing of interfacial trap sites for charge carrier transport at semiconductor-insulator boundary

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

Choi, Wookjin; Miyakai, Tomoyo; Sakurai, Tsuneaki

The density of traps at semiconductor–insulator interfaces was successfully estimated using microwave dielectric loss spectroscopy with model thin-film organic field-effect transistors. The non-contact, non-destructive analysis technique is referred to as field-induced time-resolved microwave conductivity (FI-TRMC) at interfaces. Kinetic traces of FI-TRMC transients clearly distinguished the mobile charge carriers at the interfaces from the immobile charges trapped at defects, allowing both the mobility of charge carriers and the number density of trap sites to be determined at the semiconductor-insulator interfaces. The number density of defects at the interface between evaporated pentacene on a poly(methylmethacrylate) insulating layer was determined to be 10{supmore » 12 }cm{sup −2}, and the hole mobility was up to 6.5 cm{sup 2} V{sup −1} s{sup −1} after filling the defects with trapped carriers. The FI-TRMC at interfaces technique has the potential to provide rapid screening for the assessment of interfacial electronic states in a variety of semiconductor devices.« less

The generation and accumulation of interstitial atoms and vacancies in alloys with L1{sub 2} superstructure

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

Pantyukhova, Olga, E-mail: Pantyukhova@list.ru; Starenchenko, Vladimir, E-mail: star@tsuab.ru; Starenchenko, Svetlana, E-mail: sve-starenchenko@yandex.ru

2016-01-15

The dependences of the point defect concentration (interstitial atoms and vacancies) on the deformation degree were calculated for the L1{sub 2} alloys with the high and low antiphase boundaries (APB) energy in terms of the mathematical model of the work and thermal strengthening of the alloys with the L1{sub 2} structure; the concentration of the point defects generated and annihilated in the process of deformation was estimated. It was found that the main part of the point defects generating during plastic deformation annihilates, the residual density of the deformation point defects does not exceed 10{sup −5}.

Native point defects in MoS2 and their influences on optical properties by first principles calculations

NASA Astrophysics Data System (ADS)

Saha, Ashim Kumar; Yoshiya, Masato

2018-03-01

Stability of native point defect species and optical properties are quantitatively examined through first principles calculations in order to identify possible native point defect species in MoS2 and its influences on electronic structures and resultant optical properties. Possible native point defect species are identified as functions of thermodynamic environment and location of Fermi-level in MoS2. It is found that sulphur vacancies can be introduced more easily than other point defect species which will create impurity levels both in bandgap and in valence band. Additionally, antisite Mo and/or Mo vacancies can be created depending on chemical potential of sulphur, both of which will create impurity levels in bandgap and in valence band. Those impurity levels result in pronounced photon absorption in visible light region, though each of these point defects alone has limited impact on the optical properties unless their concentration remained low. Thus, attention must be paid when intentional impurity doping is made to MoS2 to avoid unwanted modification of optical properties of MoS2. Those impurity may enable further exploitation of photovoltaic energy conversion at longer wavelength.

Joint immobilization inhibits spontaneous hyaline cartilage regeneration induced by a novel double-network gel implantation.

PubMed

Arakaki, Kazunobu; Kitamura, Nobuto; Kurokawa, Takayuki; Onodera, Shin; Kanaya, Fuminori; Gong, Jian-Ping; Yasuda, Kazunori

2011-02-01

We have recently discovered that spontaneous hyaline cartilage regeneration can be induced in an osteochondral defect in the rabbit, when we implant a novel double-network (DN) gel plug at the bottom of the defect. To clarify whether joint immobilization inhibits the spontaneous hyaline cartilage regeneration, we conducted this study with 20 rabbits. At 4 or 12 weeks after surgery, the defect in the mobile knees was filled with a sufficient volume of the hyaline cartilage tissue rich in proteoglycan and type-2 collagen, while no cartilage tissues were observed in the defect in the immobilized knees. Type-2 collagen, Aggrecan, and SOX9 mRNAs were expressed only in the mobile knees at each period. This study demonstrated that joint immobilization significantly inhibits the spontaneous hyaline cartilage regeneration induced by the DN gel implantation. This fact suggested that the mechanical environment is one of the significant factors to induce this phenomenon.

Optical spectroscopy and microscopy of radiation-induced light-emitting point defects in lithium fluoride crystals and films

NASA Astrophysics Data System (ADS)

Montereali, R. M.; Bonfigli, F.; Menchini, F.; Vincenti, M. A.

2012-08-01

Broad-band light-emitting radiation-induced F2 and F3+ electronic point defects, which are stable and laser-active at room temperature in lithium fluoride crystals and films, are used in dosimeters, tuneable color-center lasers, broad-band miniaturized light sources and novel radiation imaging detectors. A brief review of their photoemission properties is presented, and their behavior at liquid nitrogen temperatures is discussed. Some experimental data from optical spectroscopy and fluorescence microscopy of these radiation-induced point defects in LiF crystals and thin films are used to obtain information about the coloration curves, the efficiency of point defect formation, the effects of photo-bleaching processes, etc. Control of the local formation, stabilization, and transformation of radiation-induced light-emitting defect centers is crucial for the development of optically active micro-components and nanostructures. Some of the advantages of low temperature measurements for novel confocal laser scanning fluorescence microscopy techniques, widely used for spatial mapping of these point defects through the optical reading of their visible photoluminescence, are highlighted.

On the validity of the amphoteric-defect model in gallium arsenide and a criterion for Fermi-level pinning by defects

NASA Astrophysics Data System (ADS)

Chen, C.-H.; Tan, T. Y.

1995-10-01

Using the theoretically calculated point-defect total-energy values of Baraff and Schlüter in GaAs, an amphoteric-defect model has been proposed by Walukiewicz to explain a large number of experimental results. The suggested amphoteric-defect system consists of two point-defect species capable of transforming into each other: the doubly negatively charged Ga vacancy V {Ga/2-} and the triply positively charged defect complex (ASGa+ V As)3+, with AsGa being the antisite defect of an As atom occupying a Ga site and V As being an As vacancy. When present in sufficiently high concentrations, the amphoteric defect system V {Ga/2-}/(AsGa+ V As)3+ is supposed to be able to pin the GaAs Fermi level at approximately the E v +0.6 eV level position, which requires that the net free energy of the V Ga/(AsGa+ V As) defect system to be minimum at the same Fermi-level position. We have carried out a quantitative study of the net energy of this defect system in accordance with the individual point-defect total-energy results of Baraff and Schlüter, and found that the minimum net defect-system-energy position is located at about the E v +1.2 eV level position instead of the needed E v +0.6 eV position. Therefore, the validity of the amphoteric-defect model is in doubt. We have proposed a simple criterion for determining the Fermi-level pinning position in the deeper part of the GaAs band gap due to two oppositely charged point-defect species, which should be useful in the future.

A 3D Laser Profiling System for Rail Surface Defect Detection

PubMed Central

Li, Qingquan; Mao, Qingzhou; Zou, Qin

2017-01-01

Rail surface defects such as the abrasion, scratch and peeling often cause damages to the train wheels and rail bearings. An efficient and accurate detection of rail defects is of vital importance for the safety of railway transportation. In the past few decades, automatic rail defect detection has been studied; however, most developed methods use optic-imaging techniques to collect the rail surface data and are still suffering from a high false recognition rate. In this paper, a novel 3D laser profiling system (3D-LPS) is proposed, which integrates a laser scanner, odometer, inertial measurement unit (IMU) and global position system (GPS) to capture the rail surface profile data. For automatic defect detection, first, the deviation between the measured profile and a standard rail model profile is computed for each laser-imaging profile, and the points with large deviations are marked as candidate defect points. Specifically, an adaptive iterative closest point (AICP) algorithm is proposed to register the point sets of the measured profile with the standard rail model profile, and the registration precision is improved to the sub-millimeter level. Second, all of the measured profiles are combined together to form the rail surface through a high-precision positioning process with the IMU, odometer and GPS data. Third, the candidate defect points are merged into candidate defect regions using the K-means clustering. At last, the candidate defect regions are classified by a decision tree classifier. Experimental results demonstrate the effectiveness of the proposed laser-profiling system in rail surface defect detection and classification. PMID:28777323

Use of the omentum in chest-wall reconstruction

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

Fix, R.J.; Vasconez, L.O.

1989-10-01

Increased use of the omentum in chest-wall reconstruction has paralleled the refinement of anatomic knowledge and the development of safe mobilization techniques. Important anatomic points are the omental attachments to surrounding structures, the major blood supply from the left and right gastroepiploic vessels, and the collateral circulation via the gastroepiploic arch and Barkow's marginal artery. Mobilization of the omentum to the thorax involves division of its attachments to the transverse colon and separation from the greater curvature to fabricate a bipedicled flap. Most anterior chest wounds and virtually all mediastinal wounds can be covered with the omentum based on bothmore » sets of gastroepiploic vessels. The arc of transposition is increased when the omentum is based on a single pedicle, allowing coverage of virtually all chest-wall defects. The final method of increasing flap length involves division of the gastroepiploic arch and reliance on Barkow's marginal artery as collateral circulation to maintain flap viability. With regard to chest-wall reconstruction, we have included the omentum in the armamentarium of flaps used to cover mediastinal wounds. The omentum is our flap of choice for the reconstruction of most radiation injuries of the chest wall. The omentum may also be used to provide protection to visceral anastomoses, vascular conduits, and damaged structures in the chest, as well as to cover defects secondary to tumor excision or trauma. In brief, the omentum has proved to be a most dependable and versatile flap, particularly applicable to chest-wall reconstruction.« less

Structural vs. intrinsic carriers: contrasting effects of cation chemistry and disorder on ionic conductivity in pyrochlores

DOE PAGES

Perriot, Romain; Uberuaga, Blas P.

2015-04-21

We use molecular dynamics simulations to investigate the role of cation disorder on oxygen diffusion in Gd 2Zr 2O 7 (GZO) and Gd 2Ti 2O 7 (GTO) pyrochlores, a class of complex oxides which contain a structural vacancy relative to the basic fluorite structure. The introduction of disorder has distinct effects depending on the chemistry of the material, increasing the mobility of structural carriers by up to four orders of magnitude in GZO. In contrast, in GTO, there is no mobility at zero or low disorder on the ns timescale, but higher disorder liberates the otherwise immobile carriers, allowing diffusionmore » with rates comparable to GZO for the fully disordered material. Here, we show that the cation disorder enhances the diffusivity by both increasing the concentration of mobile structural carriers and their individual mobility. The disorder also influences the diffusion in materials containing intrinsic carriers, such as additional vacancies VO or oxygen interstitials OI. And while in ordered GZO and GTO the contribution of the intrinsic carriers dominates the overall diffusion of oxygen, OI in GZO contributes along with structural carriers, and the total diffusion rate can be calculated by assuming simple additive contributions from the two sources. Although the disorder in the materials with intrinsic defects usually enhances the diffusivity as in the defect-free case, in low concentrations, cation antisites AB or BA, where A = Gd and B = Zr or Ti, can act as traps for fast intrinsic defects. The trapping results in a lowering of the diffusivity, and causes a non-monotonic behavior of the diffusivity with disorder. Conversely, in the case of slow intrinsic defects, the main effect of the disorder is to liberate the structural carriers, resulting in an increase of the diffusivity regardless of the defect trapping.« less

Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial and heteroepitaxial n-GaN

NASA Astrophysics Data System (ADS)

Collins, K. C.; Armstrong, A. M.; Allerman, A. A.; Vizkelethy, G.; Van Deusen, S. B.; Léonard, F.; Talin, A. A.

2017-12-01

Inherent advantages of wide bandgap materials make GaN-based devices attractive for power electronics and applications in radiation environments. Recent advances in the availability of wafer-scale, bulk GaN substrates have enabled the production of high quality, low defect density GaN devices, but fundamental studies of carrier transport and radiation hardness in such devices are lacking. Here, we report measurements of the hole diffusion length in low threading dislocation density (TDD), homoepitaxial n-GaN, and high TDD heteroepitaxial n-GaN Schottky diodes before and after irradiation with 2.5 MeV protons at fluences of 4-6 × 1013 protons/cm2. We also characterize the specimens before and after irradiation using electron beam-induced-current (EBIC) imaging, cathodoluminescence, deep level optical spectroscopy (DLOS), steady-state photocapacitance, and lighted capacitance-voltage (LCV) techniques. We observe a substantial reduction in the hole diffusion length following irradiation (50%-55%) and the introduction of electrically active defects which could be attributed to gallium vacancies and associated complexes (VGa-related), carbon impurities (C-related), and gallium interstitials (Gai). EBIC imaging suggests long-range migration and clustering of radiation-induced point defects over distances of ˜500 nm, which suggests mobile Gai. Following irradiation, DLOS and LCV reveal the introduction of a prominent optical energy level at 1.9 eV below the conduction band edge, consistent with the introduction of Gai.

Cyclic deformation leads to defect healing and strengthening of small-volume metal crystals

DOE PAGES

Wang, Zhang-Jie; Li, Qing-Jie; Cui, Yi-Nan; ...

2015-10-19

When microscopic and macroscopic specimens of metals are subjected to cyclic loading, the creation, interaction, and accumulation of defects lead to damage, cracking, and failure. We demonstrate that when aluminum single crystals of submicrometer dimensions are subjected to low-amplitude cyclic deformation at room temperature, the density of preexisting dislocation lines and loops can be dramatically reduced with virtually no change of the overall sample geometry and essentially no permanent plastic strain. Furthermore, this “cyclic healing” of the metal crystal leads to significant strengthening through dramatic reductions in dislocation density, in distinct contrast to conventional cyclic strain hardening mechanisms arising frommore » increases in dislocation density and interactions among defects in microcrystalline and macrocrystalline metals and alloys. Our real-time, in situ transmission electron microscopy observations of tensile tests reveal that pinned dislocation lines undergo shakedown during cyclic straining, with the extent of dislocation unpinning dependent on the amplitude, sequence, and number of strain cycles. Those unpinned mobile dislocations moving close enough to the free surface of the thin specimens as a result of such repeated straining are then further attracted to the surface by image forces that facilitate their egress from the crystal. Our results point to a versatile pathway for controlled mechanical annealing and defect engineering in submicrometer-sized metal crystals, thereby obviating the need for thermal annealing or significant plastic deformation that could cause change in shape and/or dimensions of the specimen.« less

Cyclic deformation leads to defect healing and strengthening of small-volume metal crystals

PubMed Central

Wang, Zhang-Jie; Li, Qing-Jie; Cui, Yi-Nan; Liu, Zhan-Li; Ma, Evan; Li, Ju; Sun, Jun; Zhuang, Zhuo; Dao, Ming; Shan, Zhi-Wei; Suresh, Subra

2015-01-01

When microscopic and macroscopic specimens of metals are subjected to cyclic loading, the creation, interaction, and accumulation of defects lead to damage, cracking, and failure. Here we demonstrate that when aluminum single crystals of submicrometer dimensions are subjected to low-amplitude cyclic deformation at room temperature, the density of preexisting dislocation lines and loops can be dramatically reduced with virtually no change of the overall sample geometry and essentially no permanent plastic strain. This “cyclic healing” of the metal crystal leads to significant strengthening through dramatic reductions in dislocation density, in distinct contrast to conventional cyclic strain hardening mechanisms arising from increases in dislocation density and interactions among defects in microcrystalline and macrocrystalline metals and alloys. Our real-time, in situ transmission electron microscopy observations of tensile tests reveal that pinned dislocation lines undergo shakedown during cyclic straining, with the extent of dislocation unpinning dependent on the amplitude, sequence, and number of strain cycles. Those unpinned mobile dislocations moving close enough to the free surface of the thin specimens as a result of such repeated straining are then further attracted to the surface by image forces that facilitate their egress from the crystal. These results point to a versatile pathway for controlled mechanical annealing and defect engineering in submicrometer-sized metal crystals, thereby obviating the need for thermal annealing or significant plastic deformation that could cause change in shape and/or dimensions of the specimen. PMID:26483463

A Computational Framework for Automation of Point Defect Calculations

NASA Astrophysics Data System (ADS)

Goyal, Anuj; Gorai, Prashun; Peng, Haowei; Lany, Stephan; Stevanovic, Vladan; National Renewable Energy Laboratory, Golden, Colorado 80401 Collaboration

A complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory has been developed. The framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. The package provides the capability to compute widely accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3as test examples, we demonstrate the package capabilities and validate the methodology. We believe that a robust automated tool like this will enable the materials by design community to assess the impact of point defects on materials performance. National Renewable Energy Laboratory, Golden, Colorado 80401.

Point defect weakened thermal contraction in monolayer graphene

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

Zha, Xian-Hu; Department of Physics, University of Science and Technology of China, Hefei; USTC-CityU Joint Advanced Research Centre, Suzhou 215123

We investigate the thermal expansion behaviors of monolayer graphene and three configurations of graphene with point defects, namely the replacement of one carbon atom with a boron or nitrogen atom, or of two neighboring carbon atoms by boron-nitrogen atoms, based on calculations using first-principles density functional theory. It is found that the thermal contraction of monolayer graphene is significantly decreased by point defects. Moreover, the corresponding temperature for negative linear thermal expansion coefficient with the maximum absolute value is reduced. The cause is determined to be point defects that enhance the mechanical strength of graphene and then reduce the amplitudemore » and phonon frequency of the out-of-plane acoustic vibration mode. Such defect weakening of graphene thermal contraction will be useful in nanotechnology to diminish the mismatching or strain between the graphene and its substrate.« less

Interplay of point defects, biaxial strain, and thermal conductivity in homoepitaxial SrTiO3 thin films

NASA Astrophysics Data System (ADS)

Wiedigen, S.; Kramer, T.; Feuchter, M.; Knorr, I.; Nee, N.; Hoffmann, J.; Kamlah, M.; Volkert, C. A.; Jooss, Ch.

2012-02-01

Separating out effects of point defects and lattice strain on thermal conductivity is essential for improvement of thermoelectric properties of SrTiO3. We study relations between defects generated during deposition, induced lattice strain, and their impact on thermal conductivity κ in homoepitaxial SrTiO3 films prepared by ion-beam sputtering. Lowering the deposition temperature gives rise to lattice expansion by enhancement of point defect density which increases the hardness of the films. Due to a fully coherent substrate-film interface, the lattice misfit induces a large biaxial strain. However, we can show that the temperature dependence of κ is mainly sensitive on the defect concentration.

The Roles of β-Oxidation and Cofactor Homeostasis in Peroxisome Distribution and Function in Arabidopsis thaliana

PubMed Central

Rinaldi, Mauro A.; Patel, Ashish B.; Park, Jaeseok; Lee, Koeun; Strader, Lucia C.; Bartel, Bonnie

2016-01-01

Key steps of essential metabolic pathways are housed in plant peroxisomes. We conducted a microscopy-based screen for anomalous distribution of peroxisomally targeted fluorescence in Arabidopsis thaliana. This screen uncovered 34 novel alleles in 15 genes affecting oil body mobilization, fatty acid β-oxidation, the glyoxylate cycle, peroxisome fission, and pexophagy. Partial loss-of-function of lipid-mobilization enzymes conferred peroxisomes clustered around retained oil bodies without other notable defects, suggesting that this microscopy-based approach was sensitive to minor perturbations, and that fatty acid β-oxidation rates in wild type are higher than required for normal growth. We recovered three mutants defective in PECTIN METHYLESTERASE31, revealing an unanticipated role in lipid mobilization for this cytosolic enzyme. Whereas mutations reducing fatty acid import had peroxisomes of wild-type size, mutations impairing fatty acid β-oxidation displayed enlarged peroxisomes, possibly caused by excess fatty acid β-oxidation intermediates in the peroxisome. Several fatty acid β-oxidation mutants also displayed defects in peroxisomal matrix protein import. Impairing fatty acid import reduced the large size of peroxisomes in a mutant defective in the PEROXISOMAL NAD+ TRANSPORTER (PXN), supporting the hypothesis that fatty acid accumulation causes pxn peroxisome enlargement. The diverse mutants isolated in this screen will aid future investigations of the roles of β-oxidation and peroxisomal cofactor homeostasis in plant development. PMID:27605050

Atomistic simulations to characterize the influence of applied strain and PKA energy on radiation damage evolution in pure aluminum

NASA Astrophysics Data System (ADS)

Sahi, Qurat-ul-ain; Kim, Yong-Soo

2018-05-01

Knowledge of defects generation, their mobility, growth rate, and spatial distribution is the cornerstone for understanding the surface and structural evolution of a material used under irradiation conditions. In this study, molecular dynamics simulations were used to investigate the coupled effect of primary knock-on atom (PKA) energy and applied strain (uniaxial and hydrostatic) fields on primary radiation damage evolution in pure aluminum. Cascade damage simulations were carried out for PKA energy ranging between 1 and 20 keV and for applied strain values ranging between -2% and 2% at the fixed temperature of 300 K. Simulation results showed that as the atomic displacement cascade proceeds under uniaxial and hydrostatic strains, the peak and surviving number of Frenkel point defects increases with increasing tension; however, these increments were more prominent under larger volume changing deformations (hydrostatic strain). The percentage fraction of point defects that aggregate into clusters increases under tension conditions; compared to the reference conditions with no strain, these increases are around 13% and 7% for interstitials and vacancies, respectively (under 2% uniaxial strain), and 19% and 11% for interstitials and vacancies, respectively (under 2% hydrostatic strain). Clusters formed of vacancies and interstitials were both larger under tensile strain conditions, with increases in both the average and maximum cluster sizes. The rate of increase/decrease in the number of Frenkel pairs, their clustering, and their size distributions under expansion/compression strain conditions were higher for higher PKA energies. Overall, the present results suggest that strain effects should be considered carefully in radiation damage environments, specifically for conditions of low temperature and high radiation energy. Compressive strain conditions could be beneficial for materials used in nuclear reactor power systems.

Nanoscale interfacial defect shedding in a growing nematic droplet.

PubMed

Gurevich, Sebastian; Provatas, Nikolas; Rey, Alejandro

2017-08-01

Interfacial defect shedding is the most recent known mechanism for defect formation in a thermally driven isotropic-to-nematic phase transition. It manifests in nematic-isotropic interfaces going through an anchoring switch. Numerical computations in planar geometry established that a growing nematic droplet can undergo interfacial defect shedding, nucleating interfacial defect structures that shed into the bulk as +1/2 point defects. By extending the study of interfacial defect shedding in a growing nematic droplet to larger length and time scales, and to three dimensions, we unveil an oscillatory growth mode involving shape and anchoring transitions that results in a controllable regular distributions of point defects in planar geometry, and complex structures of disclination lines in three dimensions.

Asymmetric interaction of point defects and heterophase interfaces in ZrN/TaN multilayered nanofilms.

PubMed

Lao, Yuanxia; Hu, Shuanglin; Shi, Yunlong; Deng, Yu; Wang, Fei; Du, Hao; Zhang, Haibing; Wang, Yuan

2017-01-05

Materials with a high density of heterophase interfaces, which are capable of absorbing and annihilating radiation-induced point defects, can exhibit a superior radiation tolerance. In this paper, we investigated the interaction behaviors of point defects and heterophase interfaces by implanting helium atoms into the ZrN/TaN multilayered nanofilms. It was found that the point defect-interface interaction on the two sides of the ZrN/TaN interface was asymmetric, likely due to the difference in the vacancy formation energies of ZrN and TaN. The helium bubbles could migrate from the ZrN layers into the TaN layers through the heterophase interfaces, resulting in a better crystallinity of the ZrN layers and a complete amorphization of the TaN layers. The findings provided some clues to the fundamental behaviors of point defects near the heterophase interfaces, which make us re-examine the design rules of advanced radiation-tolerant materials.

Asymmetric interaction of point defects and heterophase interfaces in ZrN/TaN multilayered nanofilms

NASA Astrophysics Data System (ADS)

Lao, Yuanxia; Hu, Shuanglin; Shi, Yunlong; Deng, Yu; Wang, Fei; Du, Hao; Zhang, Haibing; Wang, Yuan

2017-01-01

Materials with a high density of heterophase interfaces, which are capable of absorbing and annihilating radiation-induced point defects, can exhibit a superior radiation tolerance. In this paper, we investigated the interaction behaviors of point defects and heterophase interfaces by implanting helium atoms into the ZrN/TaN multilayered nanofilms. It was found that the point defect-interface interaction on the two sides of the ZrN/TaN interface was asymmetric, likely due to the difference in the vacancy formation energies of ZrN and TaN. The helium bubbles could migrate from the ZrN layers into the TaN layers through the heterophase interfaces, resulting in a better crystallinity of the ZrN layers and a complete amorphization of the TaN layers. The findings provided some clues to the fundamental behaviors of point defects near the heterophase interfaces, which make us re-examine the design rules of advanced radiation-tolerant materials.

Asymmetric interaction of point defects and heterophase interfaces in ZrN/TaN multilayered nanofilms

PubMed Central

Lao, Yuanxia; Hu, Shuanglin; Shi, Yunlong; Deng, Yu; Wang, Fei; Du, Hao; Zhang, Haibing; Wang, Yuan

2017-01-01

Materials with a high density of heterophase interfaces, which are capable of absorbing and annihilating radiation-induced point defects, can exhibit a superior radiation tolerance. In this paper, we investigated the interaction behaviors of point defects and heterophase interfaces by implanting helium atoms into the ZrN/TaN multilayered nanofilms. It was found that the point defect-interface interaction on the two sides of the ZrN/TaN interface was asymmetric, likely due to the difference in the vacancy formation energies of ZrN and TaN. The helium bubbles could migrate from the ZrN layers into the TaN layers through the heterophase interfaces, resulting in a better crystallinity of the ZrN layers and a complete amorphization of the TaN layers. The findings provided some clues to the fundamental behaviors of point defects near the heterophase interfaces, which make us re-examine the design rules of advanced radiation-tolerant materials. PMID:28053307

Compositional dependence of defect mobility and damage buildup in Al xGa 1- xAs

NASA Astrophysics Data System (ADS)

Stonert, A.; Turos, A.; Nowicki, L.; Breeger, B.; Wendler, E.; Wesch, W.

2001-04-01

Defect transformations at low temperatures in ion implanted Al xGa 1- xAs (0⩽ x⩽1) ternary compounds were studied. Experiments consisted of ion implantation with 150 keV N or 200 keV Ar ions with different doses at temperatures between 18 and 77 K, and in situ RBS/channeling measurements at selected temperatures. An important recovery stage attributed to the defect mobility in the Ga(Al) sublattice was revealed near 280 K. For x>0.5 this stage was largely suppressed. Instead, a continuous damage recovery at low temperatures was observed. It was noticed that defect recombination can also be produced upon prolonged storage at the implantation temperature. For AlAs ( x=1) the 280 K stage disappeared completely and only a small defect recovery at low temperatures was noticed. Upon N- or Ar-ion bombardment, after an incubation period, a sharp crystalline-to-amorphous transition appeared. The amorphization dose increases with increasing x and is a factor of 10 higher for x=0.96 than that for x=0. A further increase of the dose by a factor of 15 was required to amorphize AlAs ( x=1).

Indium antimonide quantum well structures for electronic device applications

NASA Astrophysics Data System (ADS)

Edirisooriya, Madhavie

The electron effective mass is smaller in InSb than in any other III-V semiconductor. Since the electron mobility depends inversely on the effective mass, InSb-based devices are attractive for field effect transistors, magnetic field sensors, ballistic transport devices, and other applications where the performance depends on a high mobility or a long mean free path. In addition, electrons in InSb have a large g-factor and strong spin orbit coupling, which makes them well suited for certain spin transport devices. The first n-channel InSb high electron mobility transistor (HEMT) was produced in 2005 with a power-delay product superior to HEMTs with a channel made from any other III-V semiconductor. The high electron mobility in the InSb quantum-well channel increases the switching speed and lowers the required supply voltage. This dissertation focuses on several materials challenges that can further increase the appeal of InSb quantum wells for transistors and other electronic device applications. First, the electron mobility in InSb quantum wells, which is the highest for any semiconductor quantum well, can be further increased by reducing scattering by crystal defects. InSb-based heteroepitaxy is usually performed on semi-insulating GaAs (001) substrates due to the lack of a lattice matched semi-insulating substrate. The 14.6% mismatch between the lattice parameters of GaAs and InSb results in the formation of structural defects such as threading dislocations and microtwins which degrade the electrical and optical properties of InSb-based devices. Chapter 1 reviews the methods and procedures for growing InSb-based heterostructures by molecular beam epitaxy. Chapters 2 and 3 introduce techniques for minimizing the crystalline defects in InSb-based structures grown on GaAs substrates. Chapter 2 discusses a method of reducing threading dislocations by incorporating AlyIn1-ySb interlayers in an AlxIn1-xSb buffer layer and the reduction of microtwin defects by growth on GaAs substrates that are oriented 2° away from the [011] direction. Chapter 3 discusses designing InSb QW layer structures that are strain balanced. By applying these defect-reducing techniques, the electron mobility in InSb quantum wells at room temperature was significantly increased. For complementary logic technology, p-channel transistors with high mobility are equally as important as n-channel transistors. However, achieving a high hole mobility in III-V semiconductors is challenging. A controlled introduction of strain in the quantum-well material is an effective technique for enhancing the hole mobility beyond its value in bulk material. The strain reduces the hole effective mass by splitting the heavy hole and light hole valence bands. Chapter 4 discusses a successful attempt to realize p-type InSb quantum well structures. The biaxial strain applied via a relaxed metamorphic buffer resulted in a significantly higher room-temperature hole mobility and a record high low-temperature hole mobility. To demonstrate the usefulness of high mobility in a device structure, magnetoresistive devices were fabricated from remotely doped InSb QWs. Such devices have numerous practical applications such as position and speed sensors and as read heads in magnetic storage systems. In a magnetoresistive device composed of a series of shorted Hall bars, the magnetoresistance is proportional to the electron mobility squared for small magnetic fields. Hence, the high electron mobility in InSb QWs makes them highly preferable for geometrical magnetoresistors. Chapter 5 reports the fabrication and characterization of InSb quantum-well magnetoresistors. The excellent transport properties of the InSb QWs resulted in high room-temperature sensitivity to applied magnetic fields. Finally, Chapter 6 provides the conclusions obtained during this research effort, and makes suggestions for future work.

Enhanced thermoelectric performance in Cu-intercalated BiTeI by compensation weakening induced mobility improvement

DOE PAGES

Wu, Lihua; Yang, Jiong; Chi, Miaofang; ...

2015-09-23

The low weighted carrier mobility has long been considered to be the key challenge for improvement of thermoelectric (TE) performance in BiTeI. The Rashba-effect-induced two-dimensional density of states in this bulk semiconductor is beneficial for thermopower enhancement, which makes it a prospective compound for TE applications. In this report, we show that intercalation of minor Cu-dopants can substantially alter the equilibria of defect reactions, selectively mediate the donor-acceptor compensation, and tune the defect concentration in the carrier conductive network. Consequently, the potential fluctuations responsible for electron scattering are reduced and the carrier mobility in BiTeI can be enhanced by amore » factor of two to three between 10 K and 300 K. The carrier concentration can also be optimized by tuning the Te/I composition ratio, leading to higher thermopower in this Rashba system. Cu-intercalation in BiTeI gives rise to higher power factor, slightly lower lattice thermal conductivity, and consequently improved figure of merit. Compared with pristine BiTe 0.98I 1.02, the TE performance in Cu 0.05BiTeI reveals a 150% and 20% enhancement at 300 and 520 K, respectively. Ultimately, these results demonstrate that defect equilibria mediated by selective doping in complex TE and energy materials could be an effective approach to carrier mobility and performance optimization.« less

Annealing shallow Si/SiO2 interface traps in electron-beam irradiated high-mobility metal-oxide-silicon transistors

NASA Astrophysics Data System (ADS)

Kim, J.-S.; Tyryshkin, A. M.; Lyon, S. A.

2017-03-01

Electron-beam (e-beam) lithography is commonly used in fabricating metal-oxide-silicon (MOS) quantum devices but creates defects at the Si/SiO2 interface. Here, we show that a forming gas anneal is effective at removing shallow defects (≤4 meV below the conduction band edge) created by an e-beam exposure by measuring the density of shallow electron traps in two sets of high-mobility MOS field-effect transistors. One set was irradiated with an electron-beam (10 keV, 40 μC/cm2) and was subsequently annealed in forming gas while the other set remained unexposed. Low temperature (335 mK) transport measurements indicate that the forming gas anneal recovers the e-beam exposed sample's peak mobility (14 000 cm2/Vs) to within a factor of two of the unexposed sample's mobility (23 000 cm2/Vs). Using electron spin resonance (ESR) to measure the density of shallow traps, we find that the two sets of devices are nearly identical, indicating the forming gas anneal is sufficient to anneal out shallow defects generated by the e-beam exposure. Fitting the two sets of devices' transport data to a percolation transition model, we extract a T = 0 percolation threshold density in quantitative agreement with our lowest temperature ESR-measured trap densities.

Electrical and Structural Analysis on the Formation of n-type Junction in Germanium

NASA Astrophysics Data System (ADS)

Aziz, Umar Abdul; Nadhirah Mohamad Rashid, Nur; Rahmah Aid, Siti; Centeno, Anthony; Ikenoue, Hiroshi; Xie, Fang

2017-05-01

Germanium (Ge) has re-emerged as a potential candidate to replace silicon (Si) as a substrate, due to its higher carrier mobility properties that are the key point for the realization of devices high drive current. However, the fabrication process of Ge is confronted with many problems such as low dopant electrical activation and the utilization of heavy n-type dopant atoms during ion implantation. These problems result in more damage and defects that can affect dopant activation. This paper reports the electrical and structural analysis on the formation of n-type junction in Ge substrate by ion implantation, followed by excimer laser annealing (ELA) using KrF laser. ELA parameters such as laser fluences were varied from 100 - 2000 mJ/cm2 and shot number between 1 - 1000 to obtain the optimized parameter of ELA with a high degree of damage and defect removal. Low resistance with a high degree of crystallinity is obtained for the samples annealed with less than five shot number. Higher shot number with high laser fluence, shows a high degree of ablation damage.

The Interface Influence in TiN/SiN x Multilayer Nanocomposite Under Irradiation

NASA Astrophysics Data System (ADS)

Uglov, V. V.; Safronov, I. V.; Kvasov, N. T.; Remnev, G. E.; Shimanski, V. I.

2018-01-01

The paper focuses on studying the kinetics of radiation-induced point defects formed in TiN/SiN x multilayer nanocomposites with account of their generation, diffusion recombination, and the influence of sinks functioning as interfaces. In order to describe the kinetics in nanocrystalline TiN and amorphous SiN x phases, a finite-difference method is used to solve the system of balance kinetic equations for absolute defect concentrations depending on the spatiotemporal variables. A model of the disclination-dislocation interface structure is used to study the absorption of radiation-induced point defects on the boundaries in created stress fields. It is shown that the interface effectively absorbs point defects in these phases of TiN/SiN x multilayer nanocomposite, thereby reducing their amount within the space between phases. This behavior of point defects partially explains a mechanism of the radiation resistance in this type of nanocomposites.

Three-dimensional imaging of individual point defects using selective detection angles in annular dark field scanning transmission electron microscopy.

PubMed

Johnson, Jared M; Im, Soohyun; Windl, Wolfgang; Hwang, Jinwoo

2017-01-01

We propose a new scanning transmission electron microscopy (STEM) technique that can realize the three-dimensional (3D) characterization of vacancies, lighter and heavier dopants with high precision. Using multislice STEM imaging and diffraction simulations of β-Ga 2 O 3 and SrTiO 3 , we show that selecting a small range of low scattering angles can make the contrast of the defect-containing atomic columns substantially more depth-dependent. The origin of the depth-dependence is the de-channeling of electrons due to the existence of a point defect in the atomic column, which creates extra "ripples" at low scattering angles. The highest contrast of the point defect can be achieved when the de-channeling signal is captured using the 20-40mrad detection angle range. The effect of sample thickness, crystal orientation, local strain, probe convergence angle, and experimental uncertainty to the depth-dependent contrast of the point defect will also be discussed. The proposed technique therefore opens new possibilities for highly precise 3D structural characterization of individual point defects in functional materials. Copyright © 2016 Elsevier B.V. All rights reserved.

Defect Genome of Cubic Perovskites for Fuel Cell Applications

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

Balachandran, Janakiraman; Lin, Lianshan; Anchell, Jonathan S.

Heterogeneities such as point defects, inherent to material systems, can profoundly influence material functionalities critical for numerous energy applications. This influence in principle can be identified and quantified through development of large defect data sets which we call the defect genome, employing high-throughput ab initio calculations. However, high-throughput screening of material models with point defects dramatically increases the computational complexity and chemical search space, creating major impediments toward developing a defect genome. In this paper, we overcome these impediments by employing computationally tractable ab initio models driven by highly scalable workflows, to study formation and interaction of various point defectsmore » (e.g., O vacancies, H interstitials, and Y substitutional dopant), in over 80 cubic perovskites, for potential proton-conducting ceramic fuel cell (PCFC) applications. The resulting defect data sets identify several promising perovskite compounds that can exhibit high proton conductivity. Furthermore, the data sets also enable us to identify and explain, insightful and novel correlations among defect energies, material identities, and defect-induced local structural distortions. Finally, such defect data sets and resultant correlations are necessary to build statistical machine learning models, which are required to accelerate discovery of new materials.« less

Defect Genome of Cubic Perovskites for Fuel Cell Applications

DOE PAGES

Balachandran, Janakiraman; Lin, Lianshan; Anchell, Jonathan S.; ...

2017-10-10

Heterogeneities such as point defects, inherent to material systems, can profoundly influence material functionalities critical for numerous energy applications. This influence in principle can be identified and quantified through development of large defect data sets which we call the defect genome, employing high-throughput ab initio calculations. However, high-throughput screening of material models with point defects dramatically increases the computational complexity and chemical search space, creating major impediments toward developing a defect genome. In this paper, we overcome these impediments by employing computationally tractable ab initio models driven by highly scalable workflows, to study formation and interaction of various point defectsmore » (e.g., O vacancies, H interstitials, and Y substitutional dopant), in over 80 cubic perovskites, for potential proton-conducting ceramic fuel cell (PCFC) applications. The resulting defect data sets identify several promising perovskite compounds that can exhibit high proton conductivity. Furthermore, the data sets also enable us to identify and explain, insightful and novel correlations among defect energies, material identities, and defect-induced local structural distortions. Finally, such defect data sets and resultant correlations are necessary to build statistical machine learning models, which are required to accelerate discovery of new materials.« less

Scanning gate microscopy of electronic inhomogeneities in single-walled carbon nanotube (SWCNT) devices

NASA Astrophysics Data System (ADS)

Hunt, Steven R.; Collins, Phillip G.

2010-03-01

The electronic properties of graphitic carbon devices are primarily determined by the contact metal and the carbon band structure. However, inhomogeneities such as substrate imperfections, surface defects, and mobile contaminants also contribute and can lead to transistor-like behaviors. We experimentally investigate this phenomena in the 1-D limit using metallic single-walled carbon nanotubes (SWCNTs) before and after the electrochemical creation of sidewall defects. While scanning gate microscopy readily identifies the defect sites, the energy-dependence of the technique allows quantitative analysis of the defects and discrimination of different defect types. This research is partly supported by the NSF (DMR 08-xxxx).

Hall mobility in multicrystalline silicon

NASA Astrophysics Data System (ADS)

Schindler, F.; Geilker, J.; Kwapil, W.; Warta, W.; Schubert, M. C.

2011-08-01

Knowledge of the carrier mobility in silicon is of utmost importance for photovoltaic applications, as it directly influences the diffusion length and thereby the cell efficiency. Moreover, its value is needed for a correct quantitative evaluation of a variety of lifetime measurements. However, models that describe the carrier mobility in silicon are based on theoretical calculations or fits to experimental data in monocrystalline silicon. Multicrystalline (mc) silicon features crystal defects such as dislocations and grain boundaries, with the latter possibly leading to potential barriers through the trapping of charge carriers and thereby influencing the mobility, as shown, for example, by Maruska et al. [Appl. Phys. Lett. 36, 381 (1980)]. To quantify the mobilities in multicrystalline silicon, we performed Hall measurements in p-type mc-Si samples of various resistivities and different crystal structures and compared the data to majority carrier Hall mobilities in p-type monocrystalline floatzone (FZ) silicon. For lack of a model that provides reliable values of the Hall mobility in silicon, an empirical fit similar to existing models for conductivity mobilities is proposed based on Hall measurements of monocrystalline p-type FZ silicon. By comparing the measured Hall mobilities obtained from mc silicon with the corresponding Hall mobilities in monocrystalline silicon of the same resistivity, we found that the mobility reduction due to the presence of crystal defects in mc-Si ranges between 0% and 5% only. Mobility decreases of up to 30% as reported by Peter et al. [Proceedings of the 23rd European Photovoltaic Solar Energy Conference, Valencia, Spain, 1-5 September 2008], or even of a factor of 2 to 3 as detected by Palais et al. [Mater. Sci. Eng. B 102, 184 (2003)], in multicrystalline silicon were not observed.

Point defects in CdTe xSe 1-x crystals grown from a Te-rich solution for applications in detecting radiation

DOE PAGES

Gul, R.; Roy, U. N.; Bolotnikov, A. E.; ...

2015-04-15

We investigated cadmium telluride selenide (CdTeSe) crystals, newly grown by the Traveling Heater Method (THM), for the presence and abundance of point defects. Deep Level Transient spectroscopy (I-DLTS) was used to determine the energies of the traps, their capture cross sections, and densities. The bias across the detectors was varied from (1–30) V. Four types of point defects were identified, ranging from 10 meV to 0.35 eV. Two dominant traps at energies of 0.18 eV and 0.14 eV were studied in depth. Cd vacancies are found at lower concentrations than other point defects present in the material.

Use of Isobestic and Isoemission Points in Absorption and Luminescence Spectra for Study of the Transformation of Radiation Defects in Lithium Fluoride

NASA Astrophysics Data System (ADS)

Voitovich, A. P.; Kalinov, V. S.; Stupak, A. P.; Runets, L. P.

2015-03-01

Isobestic and isoemission points are recorded in the combined absorption and luminescence spectra of two types of radiation defects involved in complex processes consisting of several simultaneous parallel and sequential reactions. These points are observed if a constant sum of two terms, each formed by the product of the concentration of the corresponding defect and a characteristic integral coefficient associated with it, is conserved. The complicated processes involved in the transformation of radiation defects in lithium fluoride are studied using these points. It is found that the ratio of the changes in the concentrations of one of the components and the reaction product remains constant in the course of several simultaneous reactions.

Characterization of point defects in monolayer arsenene

NASA Astrophysics Data System (ADS)

Liang, Xiongyi; Ng, Siu-Pang; Ding, Ning; Wu, Chi-Man Lawrence

2018-06-01

Topological defects that are inevitably found in 2D materials can dramatically affect their properties. Using density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD) method, the structural, thermodynamic, electronic and magnetic properties of six types of typical point defects in arsenene, i.e. the Stone-Wales defect, single and double vacancies and adatoms, were systemically studied. It was found that these defects were all more easily generated in arsenene with lower formation energies than those with graphene and silicene. Stone-Wales defects can be transformed from pristine arsenene by overcoming a barrier of 2.19 eV and single vacancy defects tend to coalesce into double vacancy defects by diffusion. However, a type of adatom defect does not exhibit kinetic stability at room temperature. In addition, SV defects and another type of adatom defect can remarkably affect the electronic and magnetic properties of arsenene, e.g. they can introduce localized states near the Fermi level, as well as a strongly local magnetic moment due to dangling bond and unpaired electron. Furthermore, the simulated scanning tunneling microscopy (STM) and Raman spectroscopy were computed and the types of point defects can be fully characterized by correlating the STM images and Raman spectra to the defective atomistic structures. The results provide significant insights to the effect of defects in arsenene for potential applications, as well as identifications of two helpful tools (STM and Raman spectroscopy) to distinguish the type of defects in arsenene for future experiments.

Effect of point defects on the electronic density states of SnC nanosheets: First-principles calculations

NASA Astrophysics Data System (ADS)

Majidi, Soleyman; Achour, Amine; Rai, D. P.; Nayebi, Payman; Solaymani, Shahram; Beryani Nezafat, Negin; Elahi, Seyed Mohammad

In this work, we investigated the electronic and structural properties of various defects including single Sn and C vacancies, double vacancy of the Sn and C atoms, anti-sites, position exchange and the Stone-Wales (SW) defects in SnC nanosheets by using density-functional theory (DFT). We found that various vacancy defects in the SnC monolayer can change the electronic and structural properties. Our results show that the SnC is an indirect band gap compound, with the band gap of 2.10 eV. The system turns into metal for both structure of the single Sn and C vacancies. However, for the double vacancy contained Sn and C atoms, the structure remains semiconductor with the direct band gap of 0.37 eV at the G point. We also found that for anti-site defects, the structure remains semiconductor and for the exchange defect, the structure becomes indirect semiconductor with the K-G point and the band gap of 0.74 eV. Finally, the structure of SW defect remains semiconductor with the direct band gap at K point with band gap of 0.54 eV.

Augmented reality system using lidar point cloud data for displaying dimensional information of objects on mobile phones

NASA Astrophysics Data System (ADS)

Gupta, S.; Lohani, B.

2014-05-01

Mobile augmented reality system is the next generation technology to visualise 3D real world intelligently. The technology is expanding at a fast pace to upgrade the status of a smart phone to an intelligent device. The research problem identified and presented in the current work is to view actual dimensions of various objects that are captured by a smart phone in real time. The methodology proposed first establishes correspondence between LiDAR point cloud, that are stored in a server, and the image t hat is captured by a mobile. This correspondence is established using the exterior and interior orientation parameters of the mobile camera and the coordinates of LiDAR data points which lie in the viewshed of the mobile camera. A pseudo intensity image is generated using LiDAR points and their intensity. Mobile image and pseudo intensity image are then registered using image registration method SIFT thereby generating a pipeline to locate a point in point cloud corresponding to a point (pixel) on the mobile image. The second part of the method uses point cloud data for computing dimensional information corresponding to the pairs of points selected on mobile image and fetch the dimensions on top of the image. This paper describes all steps of the proposed method. The paper uses an experimental setup to mimic the mobile phone and server system and presents some initial but encouraging results

Influence of deep level intrinsic defects on the carrier transport in p-type Hg1- xCdxTe

NASA Astrophysics Data System (ADS)

Hoerstel, W.; Klimakow, A.; Kramer, R.

1990-04-01

The magnetic field dependence of the Hall effect in p-type Hg1- xCdxTe is analysed for determining the carrier densities and their mobilities in the mixed conduction range T = 70-250 K. A consistent description of the temperature dependence of the concentrations and mobilities of electrons and holes succeeds by taking into account energy-dependent momentum scattering times in the transport coefficients. Using this formalism, an energy level near 0.7 Eg above the valence band edge caused by intrinsic defects which were influenced by thermal treament is determined and discussed.

Effects of punishment in a mobile population playing the prisoner's dilemma game

NASA Astrophysics Data System (ADS)

Amor, Daniel R.; Fort, Joaquim

2011-12-01

We deal with a system of prisoner's dilemma players undergoing continuous motion in a two-dimensional plane. In contrast to previous work, we introduce altruistic punishment after the game. We find punishing only a few of the cooperator-defector interactions is enough to lead the system to a cooperative state in environments where otherwise defection would take over the population. This happens even with soft nonsocial punishment (where both cooperators and defectors punish other players, a behavior observed in many human populations). For high enough mobilities or temptations to defect, low rates of social punishment can no longer avoid the breakdown of cooperation.

Delayed Induction of Human NTE (PNPLA6) Rescues Neurodegeneration and Mobility Defects of Drosophila swiss cheese (sws) Mutants.

PubMed

Sujkowski, Alyson; Rainier, Shirley; Fink, John K; Wessells, Robert J

2015-01-01

Human PNPLA6 gene encodes Neuropathy Target Esterase protein (NTE). PNPLA6 gene mutations cause hereditary spastic paraplegia (SPG39 HSP), Gordon-Holmes syndrome, Boucher-Neuhäuser syndromes, Laurence-Moon syndrome, and Oliver-McFarlane syndrome. Mutations in the Drosophila NTE homolog swiss cheese (sws) cause early-onset, progressive behavioral defects and neurodegeneration characterized by vacuole formation. We investigated sws5 flies and show for the first time that this allele causes progressive vacuolar formation in the brain and progressive deterioration of negative geotaxis speed and endurance. We demonstrate that inducible, neuron-specific expression of full-length human wildtype NTE reduces vacuole formation and substantially rescues mobility. Indeed, neuron-specific expression of wildtype human NTE is capable of rescuing mobility defects after 10 days of adult life at 29°C, when significant degeneration has already occurred, and significantly extends longevity of mutants at 25°C. These results raise the exciting possibility that late induction of NTE function may reduce or ameliorate neurodegeneration in humans even after symptoms begin. In addition, these results highlight the utility of negative geotaxis endurance as a new assay for longitudinal tracking of degenerative phenotypes in Drosophila.

Interaction of 〈1 0 0〉 dislocation loops with dislocations studied by dislocation dynamics in α-iron

NASA Astrophysics Data System (ADS)

Shi, X. J.; Dupuy, L.; Devincre, B.; Terentyev, D.; Vincent, L.

2015-05-01

Interstitial dislocation loops with Burgers vector of 〈1 0 0〉 type are formed in α-iron under neutron or heavy ion irradiation. As the density and size of these loops increase with radiation dose and temperature, these defects are thought to play a key role in hardening and subsequent embrittlement of iron-based steels. The aim of the present work is to study the pinning strength of the loops on mobile dislocations. Prior to run massive Dislocation Dynamics (DD) simulations involving experimentally representative array of radiation defects and dislocations, the DD code and its parameterization are validated by comparing the individual loop-dislocation reactions with those obtained from direct atomistic Molecular Dynamics (MD) simulations. Several loop-dislocation reaction mechanisms are successfully reproduced as well as the values of the unpinning stress to detach mobile dislocations from the defects.

Fractonic line excitations: An inroad from three-dimensional elasticity theory

NASA Astrophysics Data System (ADS)

Pai, Shriya; Pretko, Michael

2018-06-01

We demonstrate the existence of a fundamentally new type of excitation, fractonic lines, which are linelike excitations with the restricted mobility properties of fractons. These excitations, described using an amalgamation of higher-form gauge theories with symmetric tensor gauge theories, see direct physical realization as the topological lattice defects of ordinary three-dimensional quantum crystals. Starting with the more familiar elasticity theory, we show how theory maps onto a rank-4 tensor gauge theory, with phonons corresponding to gapless gauge modes and disclination defects corresponding to linelike charges. We derive flux conservation laws which lock these linelike excitations in place, analogous to the higher moment charge conservation laws of fracton theories. This way of encoding mobility restrictions of lattice defects could shed light on melting transitions in three dimensions. This new type of extended object may also be a useful tool in the search for improved quantum error-correcting codes in three dimensions.

Bilobed perforator free flaps for combined hemitongue and floor-of-the-mouth defects.

PubMed

Longo, B; Ferri, G; Fiorillo, A; Rubino, C; Santanelli, F

2013-11-01

Combined hemiglossectomy and floor-of-the-mouth defects need accurate reconstructive planning to restore swallowing and speech function. The aim of this prospective study was to evaluate outcomes of the bilobed design applied to perforator free flaps for combined hemitongue and floor-of-the-mouth defects. Twelve patients with a mean age of 71 years (range, 60-84) addressed to combined hemiglossectomy and floor-of-the-mouth resection and bilobed-shaped perforator free-flap reconstruction were prospectively enrolled. Defects were classified as follows: type 1, including only the anterior mobile portion of the tongue (n = 3); type 2, involving both mobile tongue and tongue base (n = 6); and type 3, including segmental mandibulectomy combined with a type 1 or type 2 defect (n = 3). The Kruskal-Wallis and Bonferroni post hoc tests were used to compare outcomes. Type 1 defects were reconstructed by three anterolateral thigh (ALT) perforator flaps; type 2 defects were reconstructed by four ALT flaps and two vertical deep inferior epigastric perforator flaps; and type 3 defects were restored by three osteocutaneous fibula flaps. Eleven flaps (91.6%) healed uneventfully, while one (8.4%) suffered a small area of skin necrosis whose revision did not compromise functional results. Six patients achieved normal intelligible speech, five had acceptable intelligible speech and one had unintelligible speech (p = 0.356). Swallowing function was considered normal in eight patients and with mild impairment in four (p = 0.178). Cosmesis resulted excellent in seven patients and good in five (p = 0.855). The bilobed-shaped perforator free flaps were shown to be a safe and predictable solution for combined hemitongue and floor-of-the-mouth defects providing optimal aesthetic and functional outcomes. Copyright © 2013 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

Effect of doping ions on the structural defect and the electrical behavior of CaCu{sub 3}Ti{sub 4}O{sub 12} ceramics

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

Xue, Renzhong; Department of Technology and Physics, Zhengzhou University of Light Industry, Zhengzhou 450002; Zhao, Gaoyang, E-mail: zhaogy@xaut.edu.cn

Graphical abstract: The dielectric constant decreases with Ta doping, increases with Y doping and keeps almost constant with Zr doping compared with that of pure CCTO. - Highlights: • Y and Ta doping cause different defect types and concentration. • Defect influences the grain boundary mobility and results in different grain size. • Y doping increases the dielectric constant and decreases the nonlinear property. • Ta doping decreases the dielectric constant and enhances the nonlinear property. • Zr doped sample has nearly the defect type and dielectric properties as CaCu{sub 3}Ti{sub 4}O{sub 12}. - Abstract: The microstructure, dielectric and electricalmore » properties of CaCu{sub 3}Ti{sub 4−x}R{sub x}O{sub 12} (R = Y, Zr, Ta; x = 0 and 0.005) ceramics were investigated by XRD, Raman spectra, SEM and dielectric spectrum measurements. Positron annihilation measurements have been performed to investigate the influence of doping on the defects. The results show that all samples form a single crystalline phase. Y and Ta doping cause different defect types and increase the defect size and concentration, which influence the mobility of grain boundary and result in the different grain size. Y doping increases the dielectric constant and decreases the nonlinear property while Ta doping lead to an inverse result. Zr-doped sample has nearly the defect type, grain morphology and dielectric properties as pure CaCu{sub 3}Ti{sub 4}O{sub 12}. The effects of microstructure including the grain morphology and the vacancy defects on the mechanism of the dielectric and electric properties by doping are discussed.« less

A Method for Automatic Surface Inspection Using a Model-Based 3D Descriptor.

PubMed

Madrigal, Carlos A; Branch, John W; Restrepo, Alejandro; Mery, Domingo

2017-10-02

Automatic visual inspection allows for the identification of surface defects in manufactured parts. Nevertheless, when defects are on a sub-millimeter scale, detection and recognition are a challenge. This is particularly true when the defect generates topological deformations that are not shown with strong contrast in the 2D image. In this paper, we present a method for recognizing surface defects in 3D point clouds. Firstly, we propose a novel 3D local descriptor called the Model Point Feature Histogram (MPFH) for defect detection. Our descriptor is inspired from earlier descriptors such as the Point Feature Histogram (PFH). To construct the MPFH descriptor, the models that best fit the local surface and their normal vectors are estimated. For each surface model, its contribution weight to the formation of the surface region is calculated and from the relative difference between models of the same region a histogram is generated representing the underlying surface changes. Secondly, through a classification stage, the points on the surface are labeled according to five types of primitives and the defect is detected. Thirdly, the connected components of primitives are projected to a plane, forming a 2D image. Finally, 2D geometrical features are extracted and by a support vector machine, the defects are recognized. The database used is composed of 3D simulated surfaces and 3D reconstructions of defects in welding, artificial teeth, indentations in materials, ceramics and 3D models of defects. The quantitative and qualitative results showed that the proposed method of description is robust to noise and the scale factor, and it is sufficiently discriminative for detecting some surface defects. The performance evaluation of the proposed method was performed for a classification task of the 3D point cloud in primitives, reporting an accuracy of 95%, which is higher than for other state-of-art descriptors. The rate of recognition of defects was close to 94%.

A Method for Automatic Surface Inspection Using a Model-Based 3D Descriptor

PubMed Central

Branch, John W.

2017-01-01

Automatic visual inspection allows for the identification of surface defects in manufactured parts. Nevertheless, when defects are on a sub-millimeter scale, detection and recognition are a challenge. This is particularly true when the defect generates topological deformations that are not shown with strong contrast in the 2D image. In this paper, we present a method for recognizing surface defects in 3D point clouds. Firstly, we propose a novel 3D local descriptor called the Model Point Feature Histogram (MPFH) for defect detection. Our descriptor is inspired from earlier descriptors such as the Point Feature Histogram (PFH). To construct the MPFH descriptor, the models that best fit the local surface and their normal vectors are estimated. For each surface model, its contribution weight to the formation of the surface region is calculated and from the relative difference between models of the same region a histogram is generated representing the underlying surface changes. Secondly, through a classification stage, the points on the surface are labeled according to five types of primitives and the defect is detected. Thirdly, the connected components of primitives are projected to a plane, forming a 2D image. Finally, 2D geometrical features are extracted and by a support vector machine, the defects are recognized. The database used is composed of 3D simulated surfaces and 3D reconstructions of defects in welding, artificial teeth, indentations in materials, ceramics and 3D models of defects. The quantitative and qualitative results showed that the proposed method of description is robust to noise and the scale factor, and it is sufficiently discriminative for detecting some surface defects. The performance evaluation of the proposed method was performed for a classification task of the 3D point cloud in primitives, reporting an accuracy of 95%, which is higher than for other state-of-art descriptors. The rate of recognition of defects was close to 94%. PMID:28974037

Rapid Coarsening of Ion Beam Ripple Patterns by Defect Annihilation

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

Hansen, Henri; Messlinger, Sebastian; Stoian, Georgiana

Ripple patterns formed on Pt(111) through grazing incidence ion beam erosion coarsen rapidly. At and below 450 K coarsening of the patterns is athermal and kinetic, unrelated to diffusion and surface free energy. Similar to the situation for sand dunes, coarsening takes place through annihilation reactions of mobile defects in the pattern. The defect velocity derived on the basis of a simple model agrees quantitatively with the velocity of monatomic steps illuminated by the ion beam.

Optically inactive defects in monolayer and bilayer phosphorene: A first-principles study

NASA Astrophysics Data System (ADS)

Huang, Ling-yi; Zhang, Xu; Zhang, Mingliang; Lu, Gang

2018-05-01

Many-body excitonic effect is crucial in two-dimensional (2D) materials and can significantly impact their optoelectronic properties. Because defects are inevitable in 2D materials, understanding how they influence the optical and excitonic properties of the 2D materials is of significant scientific and technological importance. Here we focus on intrinsic point defects in monolayer and bilayer phosphorene and examine whether and how their optoelectronic properties may be modified by the defects. Based on large-scale first-principles calculations, we have systematically explored the optical and excitonic properties of phosphorene in the presence and absence of the point defects. We find that the optical properties of bilayer phosphorene depend on the stacking order of the layers. More importantly, we reveal that the dominant point defects in few-layer phosphorene are optically inactive, which renders phosphorene particularly attractive in optoelectronic applications.

Defect chemistry and characterization of Hg sub 1x Cd sub x Te

NASA Technical Reports Server (NTRS)

Vydyanath, H. R.

1982-01-01

Single crystal samples of undoped and doped Hg sub 1-x Cd sub x Te were annealed at varying temperatures and partial pressures of Hg. Hall effect and mobility measurements were carried out on these samples after quenching to room temperature. Based on the variation of the carrier concentration and the carrier mobility as a function of the partial pressure of Hg temperature, and dopant concentration, defect models were established for the doped and the undoped crystals. These models indicate that the native acceptor defects in both Hg0.8Cd0.2Te and Hg0.6Cd0.4Te doubly ionized and the native donor defects are negligible in concentration, implying that p to n conversion in these alloys occurs due only to residual donors. Incorporation mechanism of copper, indium, iodine, and phosphorus were investigated. A large concentration of indium is found to be paired with the native acceptor defects. Results on crystals doped with phosphorus indicate that phosphorus behaves amphoterically, acting as a donor on Hg lattice sites and as an acceptor intersitially on Te lattice sites. A majority of the phosphorus is found to be present as neutral species formed from the pairing reaction between phosphorus on Hg lattice sites and phosphorus in interstitial sites. Equilibrium constants for the intrinsic excitation reaction, as well as for the incorporation of the different dopants and the native acceptor defects were established.

Characterization of Local Carrier Dynamics in AlN and AlGaN Films using High Spatial- and Time-resolution Cathodoluminescence Spectroscopy

DTIC Science & Technology

2012-10-12

21/2012 Abstract: In order to assess the impacts of structural and point defects on the local carrier (exciton) recombination dynamics in...quantitatively understood as functions of structural / point defect and impurity concentrations (crystal imperfections). However, only few papers [5...NOTES 14. ABSTRACT In order to assess the impacts of structural and point defects on the local carrier (exciton) recombination dynamics in wide bandgap

Defect inspection of actuator lenses using swept-source optical coherence tomography

NASA Astrophysics Data System (ADS)

Lee, Jaeyul; Shirazi, Muhammad Faizan; Park, Kibeom; Jeon, Mansik; Kim, Jeehyun

2017-12-01

Actuator lens industries have gained an enormous interest with the enhancement of various latest communication devices, such as mobile phone and notebooks. The quality of the aforementioned devices can be degraded due to the internal defects of actuator lenses. Therefore, in this study, we implemented swept-source optical coherence tomography (SS-OCT) system to inspect defects of actuator lenses. Owing to the high-resolution of the SS-OCT system, defected foreign substances between the actuator lenses, defective regions of lenses and surface stains were more clearly distinguished through three-dimensional (3D) and two-dimensional (2D) cross-sectional OCT images. Therefore, the implemented SS-OCT system can be considered as a potential application to defect inspection of actuator lens.

Phase-field modeling of void anisotropic growth behavior in irradiated zirconium

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

Han, G. M.; Wang, H.; Lin, De-Ye

2017-06-01

A three-dimensional (3D) phase field model was developed to study the effects of surface energy and diffusivity anisotropy on void growth behavior in irradiated Zr. The gamma surface energy function, which is used in the phase field model, was developed with the surface energy anisotropy calculated from the molecular dynamics (MD) simulations. It is assumed that vacancies have much larger mobility in c-axis than a- and b- axes while interstitials have much larger mobility in basal plane then that in c-axis. With the model, the equilibrium void morphology and the effect of defect concentrations and defect mobility anisotropy on voidmore » growth behavior were simulated. The simulations demonstrated that 1) The developed phase-field model can correctly reproduce the faceted void morphology predicted by the Wullf construction. 2) With isotropic diffusivity the void prefers to grow on the basal plane. 3) When the vacancy has large mobility along c-axis and interstitial has a large mobility on the basal plane of hexagonal closed packed (hcp) Zr alloys a platelet void grows in c-direction and shrinks on the basal plane, which is in agreement with the experimental observation of void growth behavior in irradiated Zr.« less

Modeling a distribution of point defects as misfitting inclusions in stressed solids

NASA Astrophysics Data System (ADS)

Cai, W.; Sills, R. B.; Barnett, D. M.; Nix, W. D.

2014-05-01

The chemical equilibrium distribution of point defects modeled as non-overlapping, spherical inclusions with purely positive dilatational eigenstrain in an isotropically elastic solid is derived. The compressive self-stress inside existing inclusions must be excluded from the stress dependence of the equilibrium concentration of the point defects, because it does no work when a new inclusion is introduced. On the other hand, a tensile image stress field must be included to satisfy the boundary conditions in a finite solid. Through the image stress, existing inclusions promote the introduction of additional inclusions. This is contrary to the prevailing approach in the literature in which the equilibrium point defect concentration depends on a homogenized stress field that includes the compressive self-stress. The shear stress field generated by the equilibrium distribution of such inclusions is proved to be proportional to the pre-existing stress field in the solid, provided that the magnitude of the latter is small, so that a solid containing an equilibrium concentration of point defects can be described by a set of effective elastic constants in the small-stress limit.

Tender point count, pain, and mobility in the older population: the mobilize Boston study.

PubMed

Eggermont, Laura H P; Shmerling, Robert H; Leveille, Suzanne G

2010-01-01

Prevalence of tender points (TP), and widespread pain and fibromyalgia, as well as the relationship between TP and widespread pain and mobility, was examined in 585 community-dwelling older adults (mean age 78.2 years, 63.4% female). Pain was based on location (none, single site, multisite, widespread). Mobility was measured by the Short Physical Performance Battery (SPPB), gait speed, and self-reported (S-R) mobility difficulty. Tender-point count and health characteristics (ie, BMI, chronic conditions, analgesic use, number of medications, depression, and blocks walked per week) were assessed. Several participants had 3 or more TP (22.1%) although prevalence of criteria-based fibromyalgia was low (.3%). Mobility was more limited in persons with higher tender-point counts. After adjustment for pain and other risk factors, higher tender-point count was associated with poorer SPPB performance (score < 10, aOR = 1.09 per TP, 95%CI, 1.01-1.17), and slow gait speed (< .784m/sec, aOR = 1.14 per TP, 95%CI, 1.05-1.24), but not with S-R mobility difficulty. S-R mobility difficulty was associated with more disseminated pain (multisite pain, aOR = 2.01, 95%CI, 1.21-3.34; widespread pain, aOR = 2.47, 95%CI, 1.09-5.62). These findings portray a significant mobility burden related to tender-point count and multisite and widespread pain in the older population. Future studies using longitudinal methods are warranted. Higher tender-point count, multisite pain, and widespread pain are common in community-dwelling older adults and associated with mobility problems. Both the manual tender-point exam and the McGill Pain Map may provide important yet different information about risks for mobility disability in older individuals. Copyright 2010 American Pain Society. All rights reserved.

Luminescence properties of defects in GaN

NASA Astrophysics Data System (ADS)

Reshchikov, Michael A.; Morkoç, Hadis

2005-03-01

Gallium nitride (GaN) and its allied binaries InN and AIN as well as their ternary compounds have gained an unprecedented attention due to their wide-ranging applications encompassing green, blue, violet, and ultraviolet (UV) emitters and detectors (in photon ranges inaccessible by other semiconductors) and high-power amplifiers. However, even the best of the three binaries, GaN, contains many structural and point defects caused to a large extent by lattice and stacking mismatch with substrates. These defects notably affect the electrical and optical properties of the host material and can seriously degrade the performance and reliability of devices made based on these nitride semiconductors. Even though GaN broke the long-standing paradigm that high density of dislocations precludes acceptable device performance, point defects have taken the center stage as they exacerbate efforts to increase the efficiency of emitters, increase laser operation lifetime, and lead to anomalies in electronic devices. The point defects include native isolated defects (vacancies, interstitial, and antisites), intentional or unintentional impurities, as well as complexes involving different combinations of the isolated defects. Further improvements in device performance and longevity hinge on an in-depth understanding of point defects and their reduction. In this review a comprehensive and critical analysis of point defects in GaN, particularly their manifestation in luminescence, is presented. In addition to a comprehensive analysis of native point defects, the signatures of intentionally and unintentionally introduced impurities are addressed. The review discusses in detail the characteristics and the origin of the major luminescence bands including the ultraviolet, blue, green, yellow, and red bands in undoped GaN. The effects of important group-II impurities, such as Zn and Mg on the photoluminescence of GaN, are treated in detail. Similarly, but to a lesser extent, the effects of other impurities, such as C, Si, H, O, Be, Mn, Cd, etc., on the luminescence properties of GaN are also reviewed. Further, atypical luminescence lines which are tentatively attributed to the surface and structural defects are discussed. The effect of surfaces and surface preparation, particularly wet and dry etching, exposure to UV light in vacuum or controlled gas ambient, annealing, and ion implantation on the characteristics of the defect-related emissions is described.

Dynamic Control of Topological Defects in Artificial Colloidal Ice

DOE PAGES

Libál, A.; Nisoli, C.; Reichhardt, C.; ...

2017-04-05

We demonstrate the use of an external field to stabilize and control defect lines connecting topological monopoles in spin ice. For definiteness we perform Brownian dynamics simulations with realistic units mimicking experimentally realized artificial colloidal spin ice systems, and show how defect lines can grow, shrink or move under the action of direct and alternating fields. Asymmetric alternating biasing forces can cause the defect line to ratchet in either direction, making it possible to precisely position the line at a desired location. Such manipulation could be employed to achieve mobile information storage in these metamaterials.

Dynamic Control of Topological Defects in Artificial Colloidal Ice

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

Libál, A.; Nisoli, C.; Reichhardt, C.

We demonstrate the use of an external field to stabilize and control defect lines connecting topological monopoles in spin ice. For definiteness we perform Brownian dynamics simulations with realistic units mimicking experimentally realized artificial colloidal spin ice systems, and show how defect lines can grow, shrink or move under the action of direct and alternating fields. Asymmetric alternating biasing forces can cause the defect line to ratchet in either direction, making it possible to precisely position the line at a desired location. Such manipulation could be employed to achieve mobile information storage in these metamaterials.

System-size convergence of point defect properties: The case of the silicon vacancy

NASA Astrophysics Data System (ADS)

Corsetti, Fabiano; Mostofi, Arash A.

2011-07-01

We present a comprehensive study of the vacancy in bulk silicon in all its charge states from 2+ to 2-, using a supercell approach within plane-wave density-functional theory, and systematically quantify the various contributions to the well-known finite size errors associated with calculating formation energies and stable charge state transition levels of isolated defects with periodic boundary conditions. Furthermore, we find that transition levels converge faster with respect to supercell size when only the Γ-point is sampled in the Brillouin zone, as opposed to a dense k-point sampling. This arises from the fact that defect level at the Γ-point quickly converges to a fixed value which correctly describes the bonding at the defect center. Our calculated transition levels with 1000-atom supercells and Γ-point only sampling are in good agreement with available experimental results. We also demonstrate two simple and accurate approaches for calculating the valence band offsets that are required for computing formation energies of charged defects, one based on a potential averaging scheme and the other using maximally-localized Wannier functions (MLWFs). Finally, we show that MLWFs provide a clear description of the nature of the electronic bonding at the defect center that verifies the canonical Watkins model.

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

DOE PAGES

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.; ...

2018-02-13

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) tomore » expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. As a result, we anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

NASA Astrophysics Data System (ADS)

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.; Yu, Guodong; Canning, Andrew; Haranczyk, Maciej; Asta, Mark; Hautier, Geoffroy

2018-05-01

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) to expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. We anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

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

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory DFT), have found widespread use in the calculation of point defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT)more » to expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. We anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators

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

Broberg, Danny; Medasani, Bharat; Zimmermann, Nils E. R.

Point defects have a strong impact on the performance of semiconductor and insulator materials used in technological applications, spanning microelectronics to energy conversion and storage. The nature of the dominant defect types, how they vary with processing conditions, and their impact on materials properties are central aspects that determine the performance of a material in a certain application. This information is, however, difficult to access directly from experimental measurements. Consequently, computational methods, based on electronic density functional theory (DFT), have found widespread use in the calculation of point-defect properties. Here we have developed the Python Charged Defect Toolkit (PyCDT) tomore » expedite the setup and post-processing of defect calculations with widely used DFT software. PyCDT has a user-friendly command-line interface and provides a direct interface with the Materials Project database. This allows for setting up many charged defect calculations for any material of interest, as well as post-processing and applying state-of-the-art electrostatic correction terms. Our paper serves as a documentation for PyCDT, and demonstrates its use in an application to the well-studied GaAs compound semiconductor. As a result, we anticipate that the PyCDT code will be useful as a framework for undertaking readily reproducible calculations of charged point-defect properties, and that it will provide a foundation for automated, high-throughput calculations.« less

Line and point defects in nonlinear anisotropic solids

NASA Astrophysics Data System (ADS)

Golgoon, Ashkan; Yavari, Arash

2018-06-01

In this paper, we present some analytical solutions for the stress fields of nonlinear anisotropic solids with distributed line and point defects. In particular, we determine the stress fields of (i) a parallel cylindrically symmetric distribution of screw dislocations in infinite orthotropic and monoclinic media, (ii) a cylindrically symmetric distribution of parallel wedge disclinations in an infinite orthotropic medium, (iii) a distribution of edge dislocations in an orthotropic medium, and (iv) a spherically symmetric distribution of point defects in a transversely isotropic spherical ball.

Positron deep level transient spectroscopy — a new application of positron annihilation to semiconductor physics

NASA Astrophysics Data System (ADS)

Beling, C. D.; Fung, S.; Au, H. L.; Ling, C. C.; Reddy, C. V.; Deng, A. H.; Panda, B. K.

1997-05-01

Recent positron mobility and lifetime measurements made on ac-biased metal on semi-insulating GaAs junctions, which have identified the native EL2 defect through a determination of the characteristic ionization energy of the donor level, are reviewed. It is shown that these measurements point towards a new spectroscopy, tentatively named positron-DLTS (deep level transient spectroscopy), that is the direct complement to conventional DLTS in that it monitors transients in the electric field of the depletion region rather than the inversely related depletion width, as deep levels undergo ionization. In this new spectroscopy, which may be applied to doped material by use of a suitable positron beam, electric field transients are monitored through the Doppler shift of the annihilation radiation resulting from the drift velocity of the positron in the depletion region. Two useful extensions of the new spectroscopy beyond conventional capacitance-DLTS are suggested. The first is that in some instances information on the microstructure of the defect causing the deep level may be inferred from the sensitivity of the positron to vacancy defects of negative and neutral charge states. The second is that the positron annihilation technique is intrinsically much faster than conventional DLTS with the capability of observing transients some 10 6 times faster, thus allowing deep levels (and even shallow levels) to be investigated without problems associated with carrier freeze-out.

A novel micro-Raman technique to detect and characterize 4H-SiC stacking faults

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

Piluso, N., E-mail: nicolo.piluso@imm.cnr.it; Camarda, M.; La Via, F.

A novel Micro-Raman technique was designed and used to detect extended defects in 4H-SiC homoepitaxy. The technique uses above band-gap high-power laser densities to induce a local increase of free carriers in undoped epitaxies (n < 10{sup 16} at/cm{sup −3}), creating an electronic plasma that couples with the longitudinal optical (LO) Raman mode. The Raman shift of the LO phonon-plasmon-coupled mode (LOPC) increases as the free carrier density increases. Crystallographic defects lead to scattering or recombination of the free carriers which results in a loss of coupling with the LOPC, and in a reduction of the Raman shift. Given that the LOmore » phonon-plasmon coupling is obtained thanks to the free carriers generated by the high injection level induced by the laser, we named this technique induced-LOPC (i-LOPC). This technique allows the simultaneous determination of both the carrier lifetime and carrier mobility. Taking advantage of the modifications on the carrier lifetime induced by extended defects, we were able to determine the spatial morphology of stacking faults; the obtained morphologies were found to be in excellent agreement with those provided by standard photoluminescence techniques. The results show that the detection of defects via i-LOPC spectroscopy is totally independent from the stacking fault photoluminescence signals that cover a large energy range up to 0.7 eV, thus allowing for a single-scan simultaneous determination of any kind of stacking fault. Combining the i-LOPC method with the analysis of the transverse optical mode, the micro-Raman characterization can determine the most important properties of unintentionally doped film, including the stress status of the wafer, lattice impurities (point defects, polytype inclusions) and a detailed analysis of crystallographic defects, with a high spectral and spatial resolution.« less

Bombardment-induced segregation and redistribution

NASA Astrophysics Data System (ADS)

Lam, N. Q.; Wiedersich, H.

During ion bombardment, a number of processes can alter the compositional distribution and microstructure in near-surface regions of alloys. The relative importance of each process depends principally on the target composition, temperature, and ion characteristics. In addition to displacement mixing leading to a randomization of atomic locations, and preferential loss of alloying elements by sputtering, which are dominant at relatively low temperatures, several thermally-activated processes, including radiation-enhanced diffusion, radiation-induced segregation and Gibbsian adsorption, also play important roles. At elevated temperatures, nonequilibrium point defects induced by ion impacts become mobile and tend to anneal out by recombination and diffusion to extended sinks, such as dislocations, grain boundaries and free surfaces. The high defect concentrations, far exceeding the thermodynamic equilibrium values, can enhance diffusion-controlled processes, while persistent defect fluxes, originating from the spatial non-uniformity in defect production and annihilation, give rise to local redistribution of alloy constituents because of radiation-induced segregation. Moreover, when the alloy is maintained at high temperature, Gibbsian adsorption, driven by the reduction in free energy of the system, occurs even without irradiation; it involves a compositional perturbation in a few atom layers near the alloy surface. The combination of these processes leads to the complex development of a compositionally-modified layer in the subsurface region. Considerable progress has been made recently in identifying and understanding the relative contributions from the individual processes under various irradiation conditions. In the present paper, selected examples of these different phenomena and their synergistic effects on the evolution of the near-surface compositions of alloys during sputtering and ion implantation at elevated temperatures are discussed.

A DFT study on the failure mechanism of Al2O3 film by various point defects in solution

NASA Astrophysics Data System (ADS)

Zhang, Chuan-Hui; Chen, Bao; Jin, Ying; Sun, Dong-Bai

2018-03-01

The defects on oxide film surface are very important, and they would occur when the film is peeled or scratched. The periodic DFT calculations have been performed on Al2O3 surface to model the influences of various point-defects. Three kinds of point defect surfaces (vacancy, inversion, substitution) are considered, and the molecular H2O dissociation and the transition state are calculated. The predicted formation energy of O vacancy is 8.30 eV, whereas that corresponding to the formation of Al vacancy is found to be at least a 55% larger. On the vacancy point defect surfaces, upward H2O molecule surfaces prefer to occur chemical reaction, leading the surfaces to be hydroxylated. And then the D-Cl-substitution-Al surface is corroded, which suggests a Cl adsorption induced failure mechanism of the oxide film. At last, the process of H2O dissociation on the OH-substitution-Al surfaces with four or five transition paths are discussed.

Investigation of Plasma Phenomena in the Ionosphere Under Natural Conditions and Under Conditions Artificially Perturbed by HAARP

DTIC Science & Technology

2008-08-31

fabricated, the concept was tested , and a number of design defects were discovered, a usual occurrence. The test board was modified with cuts and...jumper wires to correct the defects and continue testing until the design was verified. Based on the testing , new artwork was prepared. Note that...mobile data was roughly similar to the fixed station data. It also revealed a circuit design defect that required further testing at the Bellevue

Point defect reduction in MOCVD (Al)GaN by chemical potential control and a comprehensive model of C incorporation in GaN

NASA Astrophysics Data System (ADS)

Reddy, Pramod; Washiyama, Shun; Kaess, Felix; Kirste, Ronny; Mita, Seiji; Collazo, Ramon; Sitar, Zlatko

2017-12-01

A theoretical framework that provides a quantitative relationship between point defect formation energies and growth process parameters is presented. It enables systematic point defect reduction by chemical potential control in metalorganic chemical vapor deposition (MOCVD) of III-nitrides. Experimental corroboration is provided by a case study of C incorporation in GaN. The theoretical model is shown to be successful in providing quantitative predictions of CN defect incorporation in GaN as a function of growth parameters and provides valuable insights into boundary phases and other impurity chemical reactions. The metal supersaturation is found to be the primary factor in determining the chemical potential of III/N and consequently incorporation or formation of point defects which involves exchange of III or N atoms with the reservoir. The framework is general and may be extended to other defect systems in (Al)GaN. The utility of equilibrium formalism typically employed in density functional theory in predicting defect incorporation in non-equilibrium and high temperature MOCVD growth is confirmed. Furthermore, the proposed theoretical framework may be used to determine optimal growth conditions to achieve minimum compensation within any given constraints such as growth rate, crystal quality, and other practical system limitations.

Evolution of Radiation Induced Defects in SiC: A Multiscale Simulation Approach

NASA Astrophysics Data System (ADS)

Jiang, Hao

Because of various excellent properties, SiC has been proposed for many applications in nuclear reactors including cladding layers in fuel rod, fission products container in TRISO fuel, and first wall/blanket in magnetic controlled fusion reactors. Upon exposure to high energy radiation environments, point defects and defect clusters are generated in materials in amounts significantly exceeding their equilibrium concentrations. The accumulation of defects can lead to undesired consequences such as crystalline-to-amorphous transformation1, swelling, and embrittlement, and these phenomena can adversely affect the lifetime of SiC based components in nuclear reactors. It is of great importance to understand the accumulation process of these defects in order to estimate change in properties of this material and to design components with superior ability to withstand radiation damages. Defect clusters are widely in SiC irradiated at the operation temperatures of various reactors. These clusters are believed to cause more than half of the overall swelling of irradiated SiC and can potentially lead to lowered thermal conductivity and mechanical strength. It is critical to understand the formation and growth of these clusters. Diffusion of these clusters is one importance piece to determine the growth rate of clusters; however it is unclear so far due to the challenges in simulating rare events. Using a combination of kinetic Activation Relaxation Technique with empirical potential and ab initio based climbing image nudged elastic band method, I performed an extensive search of the migration paths of the most stable carbon tri-interstitial cluster in SiC. This research reveals paths with the lowest energy barriers to migration, rotation, and dissociation of the most stable cluster. Based on these energy barriers, I concluded defect clusters are thermally immobile at temperatures lower than 1500 K and can dissociate into smaller clusters and single interstitials at temperatures beyond that. Even though clusters cannot diffuse by thermal vibrations, we found they can migrate at room temperature under the influence of electron radiation. This is the first direct observation of radiation-induced diffusion of defect clusters in bulk materials. We show that the underlying mechanism of this athermal diffusion is elastic collision between incoming electrons and cluster atoms. Our findings suggest that defect clusters may be mobile under certain irradiation conditions, changing current understanding of cluster annealing process in irradiated SiC. With the knowledge of cluster diffusion in SiC demonstrated in this thesis, we now become able to predict cluster evolution in SiC with good agreement with experimental measurements. This ability can enable us to estimate changes in many properties of irradiated SiC relevant for its applications in reactors. Internal interfaces such as grain boundaries can behave as sinks to radiation induced defects. The ability of GBs to absorb, transport, and annihilate radiation-induced defects (sink strength) is important to understand radiation response of polycrystalline materials and to better design interfaces for improved resistance to radiation damage. Nowadays, it is established GBs' sink strength is not a static property but rather evolves with many factors, including radiation environments, grain size, and GB microstructure. In this thesis, I investigated the response of small-angle tilt and twist GBs to point defects fluxes in SiC. First of all, I found the pipe diffusion of interstitials in tilt GBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, I show that both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled and can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of tilt GBs in annihilating radiation damage. The model predicts the role of tilt GBs in annihilating defects depends on the rate of defects segregation to and diffusion along tilt GBs. Tilt GBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. When defect diffusivity is low, most of the defects segregated to tilt GBs are annihilated by dislocation climb. Up-to-date, the response of twist GBs under irradiation has been rarely reported in literature and is still unclear. It is important to develop atom scale insight on this question in order to predict twist GBs' sink strength for a better understanding of radiation response of polycrystalline materials. By using a combination of molecular dynamics and grand canonical Monte Carlo, here I demonstrate the defect kinetics in {001} and {111} twist GBs and the microstructural evolution of these GBs under defect fluxes in SiC. I found due to the deep potential well for interstitials at dislocation intersections within the interface, the mobility of defects on dislocation grid is retard and this leads to defect accumulation at GBs for many cases. Furthermore, I conclude both types of twist GBs have to form mixed dislocations with edge component in order to absorb accumulated interstitials at the interface. The formation of mixed dislocation is either by interstitial loop nucleation or by dislocation reactions at the interface. The continuous formation and climb of these mixed dislocations make twist GBs unsaturatable sinks to radiation induced defects.

Unraveling energy conversion modeling in the intrinsic persistent upconverted luminescence of solids: a study of native point defects in antiferromagnetic Er2O3.

PubMed

Huang, Bolong

2016-05-11

We investigated the mechanism of the intrinsic persistent luminescence of Er2O3 in the A-type lattice based on first-principles calculations. We found that the native point defects were engaged in mutual subtle interactions in the form of chemical reactions between different charge states. The release of energy related to lattice distortion facilitates the conversion of energy for electrons to be transported between the valence band and the trap levels or even between the deep trap levels so as to generate persistent luminescence. The defect transitions that take place along the zero-phonon line release energy to enable optical transitions, with the exact amount of negative effective correlation energy determined by the lattice distortions. Our calculations on the thermodynamic transition levels confirm that both the visible and NIR experimentally observed intrinsic persistent luminescence (phosphor or afterglow) are related to the thermodynamic transition levels of oxygen-related defects, and the thermodynamic transition levels within different charge states for these defects are independent of the chemical potentials of the given species. Lattice distortion defects such as anion Frenkel (a-Fr) pair defects play an important role in transporting O-related defects between different lattice sites. To obtain red persistent luminescence that matches the biological therapeutic window, it is suggested to increase the electron transition levels between high-coordinated O vacancies and related metastable a-Fr defects; a close-packed core-shell structure is required to quench low-coordinated O-related defects so as to reduce the green band luminescence. We further established a conversed chain reaction (CCR) model to interpret the energy conversion process of persistent luminescence in terms of the inter-reactions of native point defects between different charge states. It is advantageous to use the study of defect levels combined with formation energies to suggest limits to doping energy and explain photostimulated luminescence in terms of native point defects.

Cold temperature improves mobility and survival in Drosophila models of autosomal-dominant hereditary spastic paraplegia (AD-HSP).

PubMed

Baxter, Sally L; Allard, Denise E; Crowl, Christopher; Sherwood, Nina Tang

2014-08-01

Autosomal-dominant hereditary spastic paraplegia (AD-HSP) is a crippling neurodegenerative disease for which effective treatment or cure remains unknown. Victims experience progressive mobility loss due to degeneration of the longest axons in the spinal cord. Over half of AD-HSP cases arise from loss-of-function mutations in spastin, which encodes a microtubule-severing AAA ATPase. In Drosophila models of AD-HSP, larvae lacking Spastin exhibit abnormal motor neuron morphology and function, and most die as pupae. Adult survivors display impaired mobility, reminiscent of the human disease. Here, we show that rearing pupae or adults at reduced temperature (18°C), compared with the standard temperature of 24°C, improves the survival and mobility of adult spastin mutants but leaves wild-type flies unaffected. Flies expressing human spastin with pathogenic mutations are similarly rescued. Additionally, larval cooling partially rescues the larval synaptic phenotype. Cooling thus alleviates known spastin phenotypes for each developmental stage at which it is administered and, notably, is effective even in mature adults. We find further that cold treatment rescues larval synaptic defects in flies with mutations in Flower (a protein with no known relation to Spastin) and mobility defects in flies lacking Kat60-L1, another microtubule-severing protein enriched in the CNS. Together, these data support the hypothesis that the beneficial effects of cold extend beyond specific alleviation of Spastin dysfunction, to at least a subset of cellular and behavioral neuronal defects. Mild hypothermia, a common neuroprotective technique in clinical treatment of acute anoxia, might thus hold additional promise as a therapeutic approach for AD-HSP and, potentially, for other neurodegenerative diseases. © 2014. Published by The Company of Biologists Ltd.

Reliability-Limiting Defects in GaN/AlGaN High Electron Mobility Transistors

DTIC Science & Technology

2011-12-01

GaN grown by plasma-assisted molecular beam epitaxy”, Appl. Phys. Lett., vol. 77, no. 18, pp. 2885- 2887, 2000. [24] A. Hierro , A. R. Arehart, B...defects and impurities: Applications to III-nitrides”, J. Appl. Phys., vol. 95, pp.3851-3879, 2004. [43] A. Hierro , S. A. Ringel, M. Hansen, J. S

DIY-style GIS service in mobile navigation system integrated with web and wireless GIS

NASA Astrophysics Data System (ADS)

Yan, Yongbin; Wu, Jianping; Fan, Caiyou; Wang, Minqi; Dai, Sheng

2007-06-01

Mobile navigation system based on handheld device can not only provide basic GIS services, but also enable these GIS services to be provided without location limit, to be more instantly interacted between users and devices. However, we still see that most navigation systems have common defects on user experience like limited map format, few map resources, and unable location share. To overcome the above defects, we propose DIY-style GIS service which provide users a more free software environment and allow uses to customize their GIS services. These services include defining geographical coordinate system of maps which helps to hugely enlarge the map source, editing vector feature, related property information and hotlink images, customizing covered area of download map via General Packet Radio Service (GPRS), and sharing users' location information via SMS (Short Message Service) which establishes the communication between users who needs GIS services. The paper introduces the integration of web and wireless GIS service in a mobile navigation system and presents an implementation sample of a DIY-Style GIS service in a mobile navigation system.

A computational framework for automation of point defect calculations

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

Goyal, Anuj; Gorai, Prashun; Peng, Haowei

We have developed a complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory. Furthermore, the framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. This package provides the capability to compute widely-accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3 as test examples, we demonstrate the package capabilities and validate the methodology.

A computational framework for automation of point defect calculations

DOE PAGES

Goyal, Anuj; Gorai, Prashun; Peng, Haowei; ...

2017-01-13

We have developed a complete and rigorously validated open-source Python framework to automate point defect calculations using density functional theory. Furthermore, the framework provides an effective and efficient method for defect structure generation, and creation of simple yet customizable workflows to analyze defect calculations. This package provides the capability to compute widely-accepted correction schemes to overcome finite-size effects, including (1) potential alignment, (2) image-charge correction, and (3) band filling correction to shallow defects. Using Si, ZnO and In2O3 as test examples, we demonstrate the package capabilities and validate the methodology.

Defect interactions in GaAs single crystals

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Lagowski, J.

1984-01-01

The two-sublattice structural configuration of GaAs and deviations from stoichiometry render the generation and interaction of electrically active point defects (and point defect complexes) critically important for device applications and very complex. Of the defect-induced energy levels, those lying deep into the energy band are very effective lifetime ""killers". The level 0.82 eV below the condition band, commonly referred to as EL2, is a major deep level, particularly in melt-grown GaAs. This level is associated with an antisite defect complex (AsGa - VAS). Possible mechanisms of its formation and its annihilation were further developed.

a Voxel-Based Filtering Algorithm for Mobile LIDAR Data

NASA Astrophysics Data System (ADS)

Qin, H.; Guan, G.; Yu, Y.; Zhong, L.

2018-04-01

This paper presents a stepwise voxel-based filtering algorithm for mobile LiDAR data. In the first step, to improve computational efficiency, mobile LiDAR points, in xy-plane, are first partitioned into a set of two-dimensional (2-D) blocks with a given block size, in each of which all laser points are further organized into an octree partition structure with a set of three-dimensional (3-D) voxels. Then, a voxel-based upward growing processing is performed to roughly separate terrain from non-terrain points with global and local terrain thresholds. In the second step, the extracted terrain points are refined by computing voxel curvatures. This voxel-based filtering algorithm is comprehensively discussed in the analyses of parameter sensitivity and overall performance. An experimental study performed on multiple point cloud samples, collected by different commercial mobile LiDAR systems, showed that the proposed algorithm provides a promising solution to terrain point extraction from mobile point clouds.

Steady distribution structure of point defects near crystal-melt interface under pulling stop of CZ Si crystal

NASA Astrophysics Data System (ADS)

Abe, T.; Takahashi, T.; Shirai, K.

2017-02-01

In order to reveal a steady distribution structure of point defects of no growing Si on the solid-liquid interface, the crystals were grown at a high pulling rate, which Vs becomes predominant, and the pulling was suddenly stopped. After restoring the variations of the crystal by the pulling-stop, the crystals were then left in prolonged contact with the melt. Finally, the crystals were detached and rapidly cooled to freeze point defects and then a distribution of the point defects of the as-grown crystals was observed. As a result, a dislocation loop (DL) region, which is formed by the aggregation of interstitials (Is), was formed over the solid-liquid interface and was surrounded with a Vs-and-Is-free recombination region (Rc-region), although the entire crystals had been Vs rich in the beginning. It was also revealed that the crystal on the solid-liquid interface after the prolonged contact with the melt can partially have a Rc-region to be directly in contact with the melt, unlike a defect distribution of a solid-liquid interface that has been growing. This experimental result contradicts a hypothesis of Voronkov's diffusion model, which always assumes the equilibrium concentrations of Vs and Is as the boundary condition for distribution of point defects on the growth interface. The results were disscussed from a qualitative point of view of temperature distribution and thermal stress by the pulling-stop.

Intrinsic point defects in off-stoichiometric Cu2ZnSnSe4: A neutron diffraction study

NASA Astrophysics Data System (ADS)

Gurieva, Galina; Valle Rios, Laura Elisa; Franz, Alexandra; Whitfield, Pamela; Schorr, Susan

2018-04-01

This work is an experimental study of intrinsic point defects in off-stoichiometric kesterite type CZTSe by means of neutron powder diffraction. We revealed the existence of copper vacancies (VCu), various cation anti site defects (CuZn, ZnCu, ZnSn, SnZn, and CuZn), as well as interstitials (Cui, Zni) in a wide range of off-stoichiometric polycrystalline powder samples synthesized by the solid state reaction. The results show that the point defects present in off-stoichiometric CZTSe agree with the off-stoichiometry type model, assuming certain cation substitutions accounting for charge balance. In addition to the known off-stoichiometry types A-H, new types (I-L) have been introduced. For the very first time, a correlation between the chemical composition of the CZTSe kesterite type phase and the occurring intrinsic point defects is presented. In addition to the off-stoichiometry type specific defects, the Cu/Zn disorder is always present in the CZTSe phase. In Cu-poor/Zn-rich CZTSe, a composition considered as the one that delivers the best photovoltaic performance, mainly copper vacancies, ZnCu and ZnSn anti sites are present. Also, this compositional region shows the lowest degree of Cu/Zn disorder.

A Framework for Developing Mobile Location Based Applications

DTIC Science & Technology

2006-10-01

B into the application running on her mobile device. The mobile application contacts the appropriate service provided by T- mobile which calculates...the optimal route between points A and B. The mobile application then displays driving directions to point B in a fashion similar to one found in car...navigation systems. The mobile application requires a Bluetooth GPS receiver to be connected to the mobile device to determine its current position

Magnesium Vacancy Segregation and Fast Pipe Diffusion for the ½<110>{110} Edge Dislocation in MgO

NASA Astrophysics Data System (ADS)

Walker, A. M.; Zhang, F.; Wright, K.; Gale, J. D.

2009-12-01

The movement of point defects in minerals plays a key role in determining their rheological properties, both by permitting diffusional creep and by allowing recovery by dislocation climb. Point defect diffusion can also control the kinetics of phase transitions and grain growth, and can determine the rate of chemical equilibration between phases. Because of this, and the difficulties associated with experimental studies of diffusion, the simulation of point defect formation and migration has been a subject of considerable interest in computational mineral physics. So far, studies have concentrated on point defects moving through otherwise perfect crystals. In this work we examine the behavior of magnesium vacancies close to the core of an edge dislocation in MgO and find that the dislocation dramatically changes the behavior of the point defect. An atomic scale model of the ½<110>{110} edge dislocation in MgO was constructed by applying the anisotropic linear elastic displacement field to the crystal structure and subsequently minimizing the energy of the crystal close to the dislocation core using a parameterized potential model. This process yielded the structure of an isolated edge dislocation in an otherwise perfect crystal. The energy cost associated with introducing magnesium vacancies around the dislocation was then mapped and compared to the formation energy of an isolated magnesium vacancy in bulk MgO. We find that the formation energy of magnesium vacancies around the dislocation mirrors the elastic strain field. Above the dislocation line σxx and σyy are negative and the strain field is compressional. Atoms are squeezed together to make room for the extra half plane effectively increasing the pressure in this region. Below the dislocation line σxx and σyy are positive and the strain field is dilatational. Planes of atoms are pulled apart to avoid a discontinuity across the glide plane and the effective pressure is decreased. In the region with a compressional strain field the vacancies become less stable than those in perfect MgO. In contrast, the region with a dilatational strain field hosts vacancies which are stabilized compared to the perfect crystal. This is in agreement with the previously observed tendency for increasing pressure to decrease the stability of vacancies in MgO. The most stable position for a magnesium vacancy was found to be 1.7 eV more stable than the vacancy in the bulk crystal, suggesting that vacancies will strongly partition to dislocations in MgO. Finally, the energy profile traced out by a vacancy moving through the bulk crystal was compared with that experienced by a vacancy moving along the dislocation core. A low energy pathway for vacancy migration along the dislocation line was found with a migration energy of 1.6 eV compared with a migration energy in the perfect crystal of 1.9 eV. This shows that vacancies segregated to the dislocation line will be significantly more mobile than vacancies in the perfect crystal. Dislocations will act as pipes, allowing material to be rapidly transported through crystals of MgO.

Vertical Root Fracture initiation in curved roots after root canal preparation: A dentinal micro-crack analysis with LED transillumination

PubMed Central

Martín-Biedma, Benjamín; Varela-Patiño, Purificación; Ruíz-Piñón, Manuel; Castelo-Baz, Pablo

2017-01-01

Background One of the causative factors of root defects is the increased friction produced by rotary instrumentation. A high canal curvature may increase stress, making the tooth more susceptible to dentinal cracks. The purpose of this study was to evaluate dentinal micro-crack formation with the ProTaper NEXT and ProTaper Universal systems using LED transillumination, and to analyze the micro-crack generated at the point of maximum canal curvature. Material and Methods 60 human mandibular premolars with curvatures between 30–49° and radii between 2–4 mm were used. The root canals were instrumented using the Protaper Universal® and Protaper NEXT® systems, with the aid of the Proglider® system. The obtained samples were sectioned transversely before subsequent analysis with LED transillumination at 2 mm and 8 mm from the apex and at the point of maximum canal curvature. Defects were scored: 0 for no defects; and 1 for micro-cracks. Results Root defects were not observed in the control group. The ProTaper NEXT system caused fewer defects (16.7%) than the ProTaper Universal system (40%) (P<0.05). The ProTaper Universal system caused significantly more micro-cracks at the point of maximum canal curvature than the ProTaper NEXT system (P<0.05). Conclusions Rotary instrumentation systems often generate root defects, but the ProTaper NEXT system generated fewer dentinal defects than the ProTaper Universal system. A higher prevalence of defects was found at the point of maximum curvature in the ProTaper Universal group. Key words:Curved root, Micro-crack, point of maximum canal curvature, ProTaper NEXT, ProTaper Universal, Vertical root fracture. PMID:29167712

Defect states of complexes involving a vacancy on the boron site in boronitrene

NASA Astrophysics Data System (ADS)

Ngwenya, T. B.; Ukpong, A. M.; Chetty, N.

2011-12-01

First principles calculations have been performed to investigate the ground state properties of freestanding monolayer hexagonal boronitrene (h-BN). We have considered monolayers that contain native point defects and their complexes, which form when the point defects bind with the boron vacancy on the nearest-neighbor position. The changes in the electronic structure are analyzed to show the extent of localization of the defect-induced midgap states. The variations in formation energies suggest that defective h-BN monolayers that contain carbon substitutional impurities are the most stable structures, irrespective of the changes in growth conditions. The high energies of formation of the boron vacancy complexes suggest that they are less stable, and their creation by ion bombardment would require high-energy ions compared to point defects. Using the relative positions of the derived midgap levels for the double vacancy complex, it is shown that the quasi-donor-acceptor pair interpretation of optical transitions is consistent with stimulated transitions between electron and hole states in boronitrene.

An open canvas--2D materials with defects, disorder, and functionality.

PubMed

Zou, Xiaolong; Yakobson, Boris I

2015-01-20

CONSPECTUS: While some exceptional properties are unique to graphene only (its signature Dirac-cone gapless dispersion, carrier mobility, record strength), other features are common to other two-dimensional materials. The broader family "beyond graphene" offers greater choices to be explored and tailored for various applications. Transition metal dichalcogenides (TMDCs), hexagonal boron nitride (h-BN), and 2D layers of pure elements, like phosphorus or boron, can complement or even surpass graphene in many ways and uses, ranging from electronics and optoelectronics to catalysis and energy storage. Their availability greatly relies on chemical vapor deposition growth of large samples, which are highly polycrystalline and include interfaces such as edges, heterostructures, and grain boundaries, as well as dislocations and point defects. These imperfections do not always degrade the material properties, but they often bring new physics and even useful functionality. It turns particularly interesting in combination with the sheer openness of all 2D sheets, fully exposed to the environment, which, as we show herein, can change and tune the defect structures and consequently all their qualities, from electronic levels, conductivity, magnetism, and optics to structural mobility of dislocations and catalytic activities. In this Account, we review our progress in understanding of various defects. We begin by expressing the energy of an arbitrary graphene edge analytically, so that the environment is regarded by "chemical phase shift". This has profound implications for graphene and carbon nanotube growth. Generalization of this equation to heteroelemental BN gives a method to determine the energy for arbitrary edges of BN, depending on the partial chemical potentials. This facilitates the tuning of the morphology and electronic and magnetic properties of pure BN or hybrid BN|C systems. Applying a similar method to three-atomic-layer TMDCs reveals more diverse edge structures for thermodynamically stable flakes. Moreover, CVD samples show new types of edge reconstruction, providing insight into the nonequilibrium growth process. Combining dislocation theory with first-principles computations, we could predict the dislocation cores for BN and TMDC and reveal their variable chemical makeup. This lays the foundation for the unique sensitivity to ambient conditions. For example, partial occupation of the defect states for dislocations in TMDCs renders them intrinsically magnetic. The exchange coupling between electrons from neighboring dislocations in grain boundaries further makes them half-metallic, which may find its applications in spintronics. Finally, brief discussion of monoelemental 2D-layer phosphorus and especially the structures and growth routes of 2D boron shows how theoretical assessment can help the quest for new synthetic routes.

Accelerated defect visualization of microelectronic systems using binary search with fixed pitch-catch distance laser ultrasonic scanning

NASA Astrophysics Data System (ADS)

Park, Byeongjin; Sohn, Hoon

2018-04-01

The practicality of laser ultrasonic scanning is limited because scanning at a high spatial resolution demands a prohibitively long scanning time. Inspired by binary search, an accelerated defect visualization technique is developed to visualize defect with a reduced scanning time. The pitch-catch distance between the excitation point and the sensing point is also fixed during scanning to maintain a high signal-to-noise ratio of measured ultrasonic responses. The approximate defect boundary is identified by examining the interactions between ultrasonic waves and defect observed at the scanning points that are sparsely selected by a binary search algorithm. Here, a time-domain laser ultrasonic response is transformed into a spatial ultrasonic domain response using a basis pursuit approach so that the interactions between ultrasonic waves and defect can be better identified in the spatial ultrasonic domain. Then, the area inside the identified defect boundary is visualized as defect. The performance of the proposed defect visualization technique is validated through an experiment on a semiconductor chip. The proposed defect visualization technique accelerates the defect visualization process in three aspects: (1) The number of measurements that is necessary for defect visualization is dramatically reduced by a binary search algorithm; (2) The number of averaging that is necessary to achieve a high signal-to-noise ratio is reduced by maintaining the wave propagation distance short; and (3) With the proposed technique, defect can be identified with a lower spatial resolution than the spatial resolution required by full-field wave propagation imaging.

Dextrocardia

MedlinePlus

Cyanotic heart defect - dextrocardia; Congenital heart defect - dextrocardia; Birth defect - dextrocardia ... During the early weeks of pregnancy, the baby’s heart develops. Sometimes, it turns so that it points ...

Characterization of oxygen defects in diamond by means of density functional theory calculations

NASA Astrophysics Data System (ADS)

Thiering, Gergő; Gali, Adam

2016-09-01

Point defects in diamond are of high interest as candidates for realizing solid state quantum bits, bioimaging agents, or ultrasensitive electric or magnetic field sensors. Various artificial diamond synthesis methods should introduce oxygen contamination in diamond, however, the incorporation of oxygen into diamond crystal and the nature of oxygen-related point defects are largely unknown. Oxygen may be potentially interesting as a source of quantum bits or it may interact with other point defects which are well established solid state qubits. Here we employ plane-wave supercell calculations within density functional theory, in order to characterize the electronic and magneto-optical properties of various oxygen-related defects. Besides the trivial single interstitial and substitutional oxygen defects we also consider their complexes with vacancies and hydrogen atoms. We find that oxygen defects are mostly electrically active and introduce highly correlated orbitals that pose a challenge for density functional theory modeling. Nevertheless, we are able to identify the fingerprints of substitutional oxygen defect, the oxygen-vacancy and oxygen-vacancy-hydrogen complexes in the electron paramagnetic resonance spectrum. We demonstrate that first principles calculations can predict the motional averaging of the electron paramagnetic resonance spectrum of defects that are subject to Jahn-Teller distortion. We show that the high-spin neutral oxygen-vacancy defect exhibits very fast nonradiative decay from its optical excited state that might hinder applying it as a qubit.

Depth-resolved ultra-violet spectroscopic photo current-voltage measurements for the analysis of AlGaN/GaN high electron mobility transistor epilayer deposited on Si

NASA Astrophysics Data System (ADS)

Ozden, Burcu; Yang, Chungman; Tong, Fei; Khanal, Min P.; Mirkhani, Vahid; Sk, Mobbassar Hassan; Ahyi, Ayayi Claude; Park, Minseo

2014-10-01

We have demonstrated that the depth-dependent defect distribution of the deep level traps in the AlGaN/GaN high electron mobility transistor (HEMT) epi-structures can be analyzed by using the depth-resolved ultra-violet (UV) spectroscopic photo current-voltage (IV) (DR-UV-SPIV). It is of great importance to analyze deep level defects in the AlGaN/GaN HEMT structure, since it is recognized that deep level defects are the main source for causing current collapse phenomena leading to reduced device reliability. The AlGaN/GaN HEMT epi-layers were grown on a 6 in. Si wafer by metal-organic chemical vapor deposition. The DR-UV-SPIV measurement was performed using a monochromatized UV light illumination from a Xe lamp. The key strength of the DR-UV-SPIV is its ability to provide information on the depth-dependent electrically active defect distribution along the epi-layer growth direction. The DR-UV-SPIV data showed variations in the depth-dependent defect distribution across the wafer. As a result, rapid feedback on the depth-dependent electrical homogeneity of the electrically active defect distribution in the AlGaN/GaN HEMT epi-structure grown on a Si wafer with minimal sample preparation can be elucidated from the DR-UV-SPIV in combination with our previously demonstrated spectroscopic photo-IV measurement with the sub-bandgap excitation.

FIBER OPTICS: Role of point defects in the photosensitivity of hydrogen-loaded phosphosilicate glass

NASA Astrophysics Data System (ADS)

Larionov, Yu V.

2010-08-01

It is shown that point defect modifications in hydrogen-loaded phosphosilicate glass (PSG) do not play a central role in determining its photosensitivity. Photochemical reactions that involve a two-step point defect modification and pre-exposure effect are incapable of accounting for photoinduced refractive index changes. It seems likely that a key role in UV-induced refractive index modifications is played by structural changes in the PSG network. Experimental data are presented that demonstrate intricate network rearrangement dynamics during UV exposure of PSG.

Stochastic annealing simulations of defect interactions among subcascades

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

Heinisch, H.L.; Singh, B.N.

1997-04-01

The effects of the subcascade structure of high energy cascades on the temperature dependencies of annihilation, clustering and free defect production are investigated. The subcascade structure is simulated by closely spaced groups of lower energy MD cascades. The simulation results illustrate the strong influence of the defect configuration existing in the primary damage state on subsequent intracascade evolution. Other significant factors affecting the evolution of the defect distribution are the large differences in mobility and stability of vacancy and interstitial defects and the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. Annealing simulations are also performedmore » on high-energy, subcascade-producing cascades generated with the binary collision approximation and calibrated to MD results.« less

Effects of temperature on the irradiation responses of Al 0.1 CoCrFeNi high entropy alloy

DOE PAGES

Yang, Tengfei; Xia, Songqin; Guo, Wei; ...

2017-09-29

Structural damage and chemical segregation in Al 0.1CoCrFeNi high entropy alloy irradiated at elevated temperatures are studied using transmission electron microscopy (TEM) and atom probe tomography (APT). Irradiation-induced defects include dislocation loops, long dislocations and stacking-fault tetrahedra, but no voids can be observed. Furthermore, as irradiation temperature increases, defect density is decreased but defect size is increased, which is induced by increasing defect mobility. Finally, APT characterization reveals that ion irradiation at elevated temperatures can induce an enrichment of Ni and Co as well as a depletion of Fe and Cr at defect clusters, mainly including dislocation loops and longmore » dislocations.« less

Effects of temperature on the irradiation responses of Al 0.1 CoCrFeNi high entropy alloy

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

Yang, Tengfei; Xia, Songqin; Guo, Wei

Structural damage and chemical segregation in Al 0.1CoCrFeNi high entropy alloy irradiated at elevated temperatures are studied using transmission electron microscopy (TEM) and atom probe tomography (APT). Irradiation-induced defects include dislocation loops, long dislocations and stacking-fault tetrahedra, but no voids can be observed. Furthermore, as irradiation temperature increases, defect density is decreased but defect size is increased, which is induced by increasing defect mobility. Finally, APT characterization reveals that ion irradiation at elevated temperatures can induce an enrichment of Ni and Co as well as a depletion of Fe and Cr at defect clusters, mainly including dislocation loops and longmore » dislocations.« less

Effects of artificially produced defects on film thickness distribution in sliding EHD point contacts

NASA Technical Reports Server (NTRS)

Cusano, C.; Wedeven, L. D.

1981-01-01

The effects of artificially produced dents and grooves on the elastohydrodynamic (EHD) film thickness profile in a sliding point contact were investigated by means of optical interferometry. The defects, formed on the surface of a highly polished ball, were held stationary at various locations within and in the vicinity of the contact region while the disk was rotating. It is shown that the defects, having a geometry similar to what can be expected in practice, can dramatically change the film thickness which exists when no defects are present in or near the contact. This change in film thickness is mainly a function of the position of the defects in the inlet region, the geometry of the defects, the orientation of the defects in the case of grooves, and the depth of the defect relative to the central film thickness.

A shape-based segmentation method for mobile laser scanning point clouds

NASA Astrophysics Data System (ADS)

Yang, Bisheng; Dong, Zhen

2013-07-01

Segmentation of mobile laser point clouds of urban scenes into objects is an important step for post-processing (e.g., interpretation) of point clouds. Point clouds of urban scenes contain numerous objects with significant size variability, complex and incomplete structures, and holes or variable point densities, raising great challenges for the segmentation of mobile laser point clouds. This paper addresses these challenges by proposing a shape-based segmentation method. The proposed method first calculates the optimal neighborhood size of each point to derive the geometric features associated with it, and then classifies the point clouds according to geometric features using support vector machines (SVMs). Second, a set of rules are defined to segment the classified point clouds, and a similarity criterion for segments is proposed to overcome over-segmentation. Finally, the segmentation output is merged based on topological connectivity into a meaningful geometrical abstraction. The proposed method has been tested on point clouds of two urban scenes obtained by different mobile laser scanners. The results show that the proposed method segments large-scale mobile laser point clouds with good accuracy and computationally effective time cost, and that it segments pole-like objects particularly well.

Imaging atomic-level random walk of a point defect in graphene

NASA Astrophysics Data System (ADS)

Kotakoski, Jani; Mangler, Clemens; Meyer, Jannik C.

2014-05-01

Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect diffusion is hindered both by the difficulties related to direct imaging of non-periodic structures and by the timescales involved in the diffusion process. Here, instead of imaging thermal diffusion, we stimulate and follow the migration of a divacancy through graphene lattice using a scanning transmission electron microscope operated at 60 kV. The beam-activated process happens on a timescale that allows us to capture a significant part of the structural transformations and trajectory of the defect. The low voltage combined with ultra-high vacuum conditions ensure that the defect remains stable over long image sequences, which allows us for the first time to directly follow the diffusion of a point defect in a crystalline material.

Insight into point defects and impurities in titanium from first principles

NASA Astrophysics Data System (ADS)

Nayak, Sanjeev K.; Hung, Cain J.; Sharma, Vinit; Alpay, S. Pamir; Dongare, Avinash M.; Brindley, William J.; Hebert, Rainer J.

2018-03-01

Titanium alloys find extensive use in the aerospace and biomedical industries due to a unique combination of strength, density, and corrosion resistance. Decades of mostly experimental research has led to a large body of knowledge of the processing-microstructure-properties linkages. But much of the existing understanding of point defects that play a significant role in the mechanical properties of titanium is based on semi-empirical rules. In this work, we present the results of a detailed self-consistent first-principles study that was developed to determine formation energies of intrinsic point defects including vacancies, self-interstitials, and extrinsic point defects, such as, interstitial and substitutional impurities/dopants. We find that most elements, regardless of size, prefer substitutional positions, but highly electronegative elements, such as C, N, O, F, S, and Cl, some of which are common impurities in Ti, occupy interstitial positions.

Ferromagnetism induced by point defect in Janus monolayer MoSSe regulated by strain engineering

NASA Astrophysics Data System (ADS)

Meng, Ming; Li, Tinghui; Li, Shaofeng; Liu, Kuili

2018-03-01

The formation and regulation of magnetism dependent on introduced defects in the Janus MoSSe monolayer has attracted much attention because of its potential application in spintronics. Here, we present a theoretical study of defect formation in the MoSSe monolayer and its introduced magnetism under external strain. The tensile deformation induced by external strain not only leads to decreases in defect formation energy, but also enhances magnetic characteristics. However, as compressed deformation increases, the magnetism in the structure induced by Se or S defects remains unchanged because this microstructural deformation adequately spin polarizes unpaired electrons of neighboring Mo atoms. Our results suggest the use of point defect and strain engineering in the Janus MoSSe monolayer for spintronics applications.

Native point defects in GaSb

NASA Astrophysics Data System (ADS)

Kujala, J.; Segercrantz, N.; Tuomisto, F.; Slotte, J.

2014-10-01

We have applied positron annihilation spectroscopy to study native point defects in Te-doped n-type and nominally undoped p-type GaSb single crystals. The results show that the dominant vacancy defect trapping positrons in bulk GaSb is the gallium monovacancy. The temperature dependence of the average positron lifetime in both p- and n-type GaSb indicates that negative ion type defects with no associated open volume compete with the Ga vacancies. Based on comparison with theoretical predictions, these negative ions are identified as Ga antisites. The concentrations of these negatively charged defects exceed the Ga vacancy concentrations nearly by an order of magnitude. We conclude that the Ga antisite is the native defect responsible for p-type conductivity in GaSb single crystals.

The mobile image quality survey game

NASA Astrophysics Data System (ADS)

Rasmussen, D. René

2012-01-01

In this paper we discuss human assessment of the quality of photographic still images, that are degraded in various manners relative to an original, for example due to compression or noise. In particular, we examine and present results from a technique where observers view images on a mobile device, perform pairwise comparisons, identify defects in the images, and interact with the display to indicate the location of the defects. The technique measures the response time and accuracy of the responses. By posing the survey in a form similar to a game, providing performance feedback to the observer, the technique attempts to increase the engagement of the observers, and to avoid exhausting observers, a factor that is often a problem for subjective surveys. The results are compared with the known physical magnitudes of the defects and with results from similar web-based surveys. The strengths and weaknesses of the technique are discussed. Possible extensions of the technique to video quality assessment are also discussed.

Applicability Analysis of Cloth Simulation Filtering Algorithm for Mobile LIDAR Point Cloud

NASA Astrophysics Data System (ADS)

Cai, S.; Zhang, W.; Qi, J.; Wan, P.; Shao, J.; Shen, A.

2018-04-01

Classifying the original point clouds into ground and non-ground points is a key step in LiDAR (light detection and ranging) data post-processing. Cloth simulation filtering (CSF) algorithm, which based on a physical process, has been validated to be an accurate, automatic and easy-to-use algorithm for airborne LiDAR point cloud. As a new technique of three-dimensional data collection, the mobile laser scanning (MLS) has been gradually applied in various fields, such as reconstruction of digital terrain models (DTM), 3D building modeling and forest inventory and management. Compared with airborne LiDAR point cloud, there are some different features (such as point density feature, distribution feature and complexity feature) for mobile LiDAR point cloud. Some filtering algorithms for airborne LiDAR data were directly used in mobile LiDAR point cloud, but it did not give satisfactory results. In this paper, we explore the ability of the CSF algorithm for mobile LiDAR point cloud. Three samples with different shape of the terrain are selected to test the performance of this algorithm, which respectively yields total errors of 0.44 %, 0.77 % and1.20 %. Additionally, large area dataset is also tested to further validate the effectiveness of this algorithm, and results show that it can quickly and accurately separate point clouds into ground and non-ground points. In summary, this algorithm is efficient and reliable for mobile LiDAR point cloud.

Effects of LED phototherapy on bone defects grafted with MTA, bone morphogenetic proteins and guided bone regeneration: a Raman spectroscopic study.

PubMed

Pinheiro, Antonio L B; Soares, Luiz G P; Cangussú, Maria Cristina T; Santos, Nicole R S; Barbosa, Artur Felipe S; Silveira Júnior, Landulfo

2012-09-01

We studied peaks of calcium hydroxyapatite (CHA) and protein and lipid CH groups in defects grafted with mineral trioxide aggregate (MTA) treated or not with LED irradiation, bone morphogenetic proteins and guided bone regeneration. A total of 90 rats were divided into ten groups each of which was subdivided into three subgroups (evaluated at 15, 21 and 30 days after surgery). Defects were irradiated with LED light (wavelength 850 ± 10 nm) at 48-h intervals for 15 days. Raman readings were taken at the surface of the defects. There were no statistically significant differences in the CHA peaks among the nonirradiated defects at any of the experimental time-points. On the other hand, there were significant differences between the defects filled with blood clot and the irradiated defects at all time-points (p < 0.001, p = 0.02, p < 0.001). There were significant differences between the mean peak CHA in nonirradiated defects at all the experimental time-points (p < 0.01). The mean peak of the defects filled with blood clot was significantly different from that of the defects filled with MTA (p < 0.001). There were significant differences between the defects filled with blood clot and the irradiated defects (p < 0.001). The results of this study using Raman spectral analysis indicate that infrared LED light irradiation improves the deposition of CHA in healing bone grafted or not with MTA.

Defect stability in thorium monocarbide: An ab initio study

NASA Astrophysics Data System (ADS)

Wang, Chang-Ying; Han, Han; Shao, Kuan; Cheng, Cheng; Huai, Ping

2015-09-01

The elastic properties and point defects of thorium monocarbide (ThC) have been studied by means of density functional theory based on the projector-augmented-wave method. The calculated electronic and elastic properties of ThC are in good agreement with experimental data and previous theoretical results. Five types of point defects have been considered in our study, including the vacancy defect, interstitial defect, antisite defect, schottky defect, and composition-conserving defect. Among these defects, the carbon vacancy defect has the lowest formation energy of 0.29 eV. The second most stable defect (0.49 eV) is one of composition-conserving defects in which one carbon is removed to another carbon site forming a C2 dimer. In addition, we also discuss several kinds of carbon interstitial defects, and predict that the carbon trimer configuration may be a transition state for a carbon dimer diffusion in ThC. Project supported by the International S&T Cooperation Program of China (Grant No. 2014DFG60230), the National Natural Science Foundation of China (Grant No. 91326105), the National Basic Research Program of China (Grant No. 2010CB934504), and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDA02040104).

Minimizing graphene defects enhances titania nanocomposite-based photocatalytic reduction of CO2 for improved solar fuel production.

PubMed

Liang, Yu Teng; Vijayan, Baiju K; Gray, Kimberly A; Hersam, Mark C

2011-07-13

With its unique electronic and optical properties, graphene is proposed to functionalize and tailor titania photocatalysts for improved reactivity. The two major solution-based pathways for producing graphene, oxidation-reduction and solvent exfoliation, result in nanoplatelets with different defect densities. Herein, we show that nanocomposites based on the less defective solvent-exfoliated graphene exhibit a significantly larger enhancement in CO(2) photoreduction, especially under visible light. This counterintuitive result is attributed to their superior electrical mobility, which facilitates the diffusion of photoexcited electrons to reactive sites.

Walking simulator for evaluation of ophthalmic devices

NASA Astrophysics Data System (ADS)

Barabas, James; Woods, Russell L.; Peli, Eli

2005-03-01

Simulating mobility tasks in a virtual environment reduces risk for research subjects, and allows for improved experimental control and measurement. We are currently using a simulated shopping mall environment (where subjects walk on a treadmill in front of a large projected video display) to evaluate a number of ophthalmic devices developed at the Schepens Eye Research Institute for people with vision impairment, particularly visual field defects. We have conducted experiments to study subject's perception of "safe passing distance" when walking towards stationary obstacles. The subject's binary responses about potential collisions are analyzed by fitting a psychometric function, which gives an estimate of the subject's perceived safe passing distance, and the variability of subject responses. The system also enables simulations of visual field defects using head and eye tracking, enabling better understanding of the impact of visual field loss. Technical infrastructure for our simulated walking environment includes a custom eye and head tracking system, a gait feedback system to adjust treadmill speed, and a handheld 3-D pointing device. Images are generated by a graphics workstation, which contains a model with photographs of storefronts from an actual shopping mall, where concurrent validation experiments are being conducted.

One dimensional motion of interstitial clusters and void growth in Ni and Ni alloys

NASA Astrophysics Data System (ADS)

Yoshiie, T.; Ishizaki, T.; Xu, Q.; Satoh, Y.; Kiritani, M.

2002-12-01

One dimensional (1-D) motion of interstitial clusters is important for the microstructural evolution in metals. In this paper, the effect of 2 at.% alloying with elements Si (volume size factor to Ni: -5.81%), Cu (7.18%), Ge (14.76%) and Sn (74.08%) in Ni on 1-D motion of interstitial clusters and void growth was studied. In neutron irradiated pure Ni, Ni-Cu and Ni-Ge, well developed dislocation networks and voids in the matrix, and no defects near grain boundaries were observed at 573 K to a dose of 0.4 dpa by transmission electron microscopy. No voids were formed and only interstitial type dislocation loops were observed near grain boundaries in Ni-Si and Ni-Sn. The reaction kinetics analysis which included the point defect flow into planar sink revealed the existence of 1-D motion of interstitial clusters in Ni, Ni-Cu and Ni-Ge, and lack of such motion in Ni-Si and Ni-Sn. In Ni-Sn and Ni-Si, the alloying elements will trap interstitial clusters and thereby reduce the cluster mobility, which lead to the reduction in void growth.

Rational Hydrogenation for Enhanced Mobility and High Reliability on ZnO-based Thin Film Transistors: From Simulation to Experiment.

PubMed

Xu, Lei; Chen, Qian; Liao, Lei; Liu, Xingqiang; Chang, Ting-Chang; Chang, Kuan-Chang; Tsai, Tsung-Ming; Jiang, Changzhong; Wang, Jinlan; Li, Jinchai

2016-03-02

Hydrogenation is one of the effective methods for improving the performance of ZnO thin film transistors (TFTs), which originate from the fact that hydrogen (H) acts as a defect passivator and a shallow n-type dopant in ZnO materials. However, passivation accompanied by an excessive H doping of the channel region of a ZnO TFT is undesirable because high carrier density leads to negative threshold voltages. Herein, we report that Mg/H codoping could overcome the trade-off between performance and reliability in the ZnO TFTs. The theoretical calculation suggests that the incorporation of Mg in hydrogenated ZnO decrease the formation energy of interstitial H and increase formation energy of O-vacancy (VO). The experimental results demonstrate that the existence of the diluted Mg in hydrogenated ZnO TFTs could be sufficient to boost up mobility from 10 to 32.2 cm(2)/(V s) at a low carrier density (∼2.0 × 10(18) cm(-3)), which can be attributed to the decreased electron effective mass by surface band bending. The all results verified that the Mg/H codoping can significantly passivate the VO to improve device reliability and enhance mobility. Thus, this finding clearly points the way to realize high-performance metal oxide TFTs for low-cost, large-volume, flexible electronics.

First-principle calculation on mechanical and thermal properties of B2-NiSc with point defects

NASA Astrophysics Data System (ADS)

Yuan, Zhipeng; Cui, Hongbao; Guo, Xuefeng

2017-01-01

Using the first-principles plane-wave pseudo-potential method based on density functional theory, the effect of vacancy and anti-position defect on the mechanical and thermal properties of B2-NiSc intermetallics were discussed in detail. Several parameters, such as the shear modulus, bulk modulus, modulus of elasticity, C 11-C 11, the Debye temperature and Poisson's ratio, have been calculated to evaluate the effect of vacancy and anti-position defect on the hardness, ductility and thermal properties of B2-NiSc intermetallics. The results show that VNi, ScNi, VSc and NiSc the four point defects all make the crystal hardness decrease and improve plasticity of B2-NiSc intermetallics. The entropy, enthalpy and free energy of VNi, ScNi, VSc and NiSc are monotonously changed as temperature changes. From the perspective of free energy, NiSc is the most stable, while ScNi is the most unstable. Debye temperature of NiSc intermetallics with four different point defects shows VNi, ScNi, VSc and NiSc the four point defects all reduce the stability of B2-NiSc intermetallics. Project supported by the National Natural Science Foundation of China (Nos. 51301063, 51571086) and the Talent Introduction Foundation of Henan Polytechnic University (No. Y-2009).

Spatial variation in carrier dynamics along a single CdSSe nanowire

NASA Astrophysics Data System (ADS)

Blake, Jolie C.; Eldridge, Peter S.; Gundlach, Lars

2014-10-01

Ultrafast charge carrier dynamics along individual CdSxSe1-x nanowires has been measured. The use of an improved ultrafast Kerr-gated microscope allows for spatially resolved luminescence measurements along a single nanowire. Amplified spontaneous emission (ASE) was observed at high excitation fluences. Position dependent variations of ultrafast ASE dynamics were observed. SEM and colorimetric measurements showed that the difference in dynamics can be attributed to variations in non-radiative recombination rates along the wire. The dominant Shockley-Read recombination rate can be extracted from ASE dynamics and can be directly related to charge carrier mobility and defect density. Employing ASE as a probe for defect densities provides a new sub-micron spatially resolved, contactless method for measurements of charge carrier mobility.

Tender Point Count, Pain, and Mobility in the Older Population: The MOBILIZE Boston Study

PubMed Central

Eggermont, Laura H.P.; Shmerling, Robert H.; Leveille, Suzanne G.

2011-01-01

Prevalence of tender points (TP), widespread pain and fibromyalgia, as well as the relationship between TP, widespread pain and mobility was examined in 585 community-dwelling older adults (mean age 78.2 years, 63.4% female). Pain was based on location (none, single site, multisite, widespread). Mobility was measured by the Short Physical Performance Battery (SPPB), gait speed, and self-reported (S–R) mobility difficulty. Tender point count and health characteristics (i.e. BMI, chronic conditions, analgesic use, number of medications, depression, and blocks walked per week) were assessed. Results Several participants had 3 or more TP (22.1%) although prevalence of criteria-based fibromyalgia was low (0.3%). Mobility was more limited in persons with higher tender point counts. After adjustment for pain and other risk factors, higher tender point count was associated with poorer SPPB performance (score<10, aOR=1.09 per TP, 95%CI, 1.01–1.17), and slow gait speed (<0.784m/sec, aOR=1.14 per TP, 95%CI, 1.05–1.24), but not with S–R mobility difficulty. S–R mobility difficulty was associated with more disseminated pain (multisite pain, aOR=2.01, 95%CI, 1.21–3.34; widespread pain, aOR=2.47, 95%CI, 1.09–5.62). These findings portray a significant mobility burden related to tender point count and multisite and widespread pain in the older population. Future studies using longitudinal methods are warranted. PMID:19665937

Achieving high carrier mobility exceeding 70 cm2/Vs in amorphous zinc tin oxide thin-film transistors

NASA Astrophysics Data System (ADS)

Kim, Sang Tae; Shin, Yeonwoo; Yun, Pil Sang; Bae, Jong Uk; Chung, In Jae; Jeong, Jae Kyeong

2017-09-01

This paper proposes a new defect engineering concept for low-cost In- and Ga-free zinc tin oxide (ZTO) thin-film transistors (TFTs). This concept is comprised of capping ZTO films with tantalum (Ta) and a subsequent modest thermal annealing treatment at 200 °C. The Ta-capped ZTO TFTs exhibited a remarkably high carrier mobility of 70.8 cm2/Vs, low subthreshold gate swing of 0.18 V/decade, threshold voltage of -1.3 V, and excellent ION/OFF ratio of 2 × 108. The improvement (> two-fold) in the carrier mobility compared to the uncapped ZTO TFT can be attributed to the effective reduction of the number of adverse tailing trap states, such as hydroxyl groups or oxygen interstitial defects, which stems from the scavenging effect of the Ta capping layer on the ZTO channel layer. Furthermore, the Ta-capped ZTO TFTs showed excellent positive and negative gate bias stress stabilities. [Figure not available: see fulltext.

The influence of nitrogen implantation on the electrical properties of amorphous IGZO

NASA Astrophysics Data System (ADS)

Zhan, S. L.; Zhao, M.; Zhuang, D. M.; Fu, E. G.; Cao, M. J.; Guo, L.; Ouyang, L. Q.

2017-09-01

In this study, nitrogen (N) implantation was adopted to regulate the carrier concentration and the Hall mobility of amorphous Indium Gallium Zinc Oxide (a-IGZO) films. The Hall Effect measurement demonstrates that the increase of implantation fluence can decrease the carrier concentration of a-IGZO by three orders to 1016 cm-3, which attributes to the reduction of oxygen defects. The addition of nitrogen atoms can result in the increase of Hall mobility to 9.93 cm2/V s with the subsequent decrease to 6.49 cm2/V s, which reflects the reduction of the average potential barrier height (φ0) to be 22.0 meV with subsequent increase to 74.8 meV in the modified percolation model. The results indicate that nitrogen can serve as an effective p-type dopants and oxygen defect suppressors. N-implantation with an appropriate fluence can effectively improve the Hall mobility and reduce the carrier concentration simultaneously.

Bulk contribution to magnetotransport properties of low-defect-density Bi2Te3 topological insulator thin films

NASA Astrophysics Data System (ADS)

Ngabonziza, P.; Wang, Y.; Brinkman, A.

2018-04-01

An important challenge in the field of topological materials is to carefully disentangle the electronic transport contribution of the topological surface states from that of the bulk. For Bi2Te3 topological insulator samples, bulk single crystals and thin films exposed to air during fabrication processes are known to be bulk conducting, with the chemical potential in the bulk conduction band. For Bi2Te3 thin films grown by molecular beam epitaxy, we combine structural characterization (transmission electron microscopy), chemical surface analysis as function of time (x-ray photoelectron spectroscopy) and magnetotransport analysis to understand the low defect density and record high bulk electron mobility once charge is doped into the bulk by surface degradation. Carrier densities and electronic mobilities extracted from the Hall effect and the quantum oscillations are consistent and reveal a large bulk carrier mobility. Because of the cylindrical shape of the bulk Fermi surface, the angle dependence of the bulk magnetoresistance oscillations is two dimensional in nature.

Different femorotibial contact points between fixed- and mobile-bearing TKAs do not show clinical impact.

PubMed

van Stralen, R A; Heesterbeek, P J C; Wymenga, A B

2015-11-01

In anteroposterior (AP)-gliding mobile-bearing total knee arthroplasty (TKA), the femoral component can theoretically slide forward resulting in a more anterior contact point, causing pain due to impingement. A lower lever arm of the extensor apparatus can also attribute to higher patella pressures and pain. The goal of this study was to determine the contact point in a cohort of mobile- and fixed-bearing TKAs, to determine whether the contact point lies more anteriorly in mobile-bearing TKA and to confirm whether this results in anterior knee pain. We used 38 fixed-bearing TKA and 40 mobile-bearing TKA from a randomized trial with straight lateral knee X-rays and measured the contact point. The functional outcome was measured by Knee Society Score at 12 months postoperatively. Pain scores were analysed using a VAS score (0-100 mm) in all patients at rest and when moving. Difficulty at rising up out of a chair was also assessed using a VAS score. The contact point in mobile-bearing TKA was situated at 59.5 % of the AP distance of the tibia and in the fixed-bearing TKA group at 66.1 % (P< 0.05). Patients with mobile- and fixed-bearing TKAs had similar knee scores, pain scores and difficulty in chair rise. No significant correlation was found between contact point and knee pain. The hypothesis of a more anterior contact point in the mobile-bearing cohort was confirmed but no correlation with functional and pain scores in this cohort could be found. The tibiofemoral contact point could not be correlated with a different clinical outcome and higher incidence of anterior knee pain. This study further adds to the knowledge on possible differences between mobile- and fixed-bearing prostheses. Next to that, bad outcomes could not be explained by CP. Case series, Level IV.

Strong spin-orbit splitting and magnetism of point defect states in monolayer WS2

NASA Astrophysics Data System (ADS)

Li, Wun-Fan; Fang, Changming; van Huis, Marijn A.

2016-11-01

The spin-orbit coupling (SOC) effect has been known to be profound in monolayer pristine transition metal dichalcogenides (TMDs). Here we show that point defects, which are omnipresent in the TMD membranes, exhibit even stronger SOC effects and change the physics of the host materials drastically. In this article we chose the representative monolayer WS2 slabs from the TMD family together with seven typical types of point defects including monovacancies, interstitials, and antisites. We calculated the formation energies of these defects, and studied the effect of spin-orbit coupling (SOC) on the corresponding defect states. We found that the S monovacancy (VS) and S interstitial (adatom) have the lowest formation energies. In the case of VS and both of the WS and WS 2 antisites, the defect states exhibit strong splitting up to 296 meV when SOC is considered. Depending on the relative position of the defect state with respect to the conduction band minimum (CBM), the hybrid functional HSE will either increase the splitting by up to 60 meV (far from CBM), or decrease the splitting by up to 57 meV (close to CBM). Furthermore, we found that both the WS and WS 2 antisites possess a magnetic moment of 2 μB localized at the antisite W atom and the neighboring W atoms. The dependence of SOC on the orientation of the magnetic moment for the WS and WS 2 antisites is discussed. All these findings provide insights in the defect behavior under SOC and point to possibilities for spintronics applications for TMDs.

Epitaxial Growths of m-Plane AlGaN/GaN and AlInN/GaN Heterostructures Applicable for Normally-Off Mode High Power Field Effect Transistors on Freestanding GaN Substrates

DTIC Science & Technology

2011-08-17

cathodoluminescence (CL), and Hall effect measurement. We will disclose how structural and point defects affect the internal quantum efficiency. We have a complete...18. S. F. Chichibu, A. Uedono, T. Onuma, S. P. DenBaars, U. K. Mishra, J. S. Speck, and S. Nakamura, “Impact of Point Defects on the Luminescence...A. Uedono, “Major impacts of point defects and impurities on the carrier recombination dynamics in AlN,” Appl. Phys. Lett. 97(20), 201904 (2010

Native point defects in GaSb

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

Kujala, J.; Segercrantz, N.; Tuomisto, F.

2014-10-14

We have applied positron annihilation spectroscopy to study native point defects in Te-doped n-type and nominally undoped p-type GaSb single crystals. The results show that the dominant vacancy defect trapping positrons in bulk GaSb is the gallium monovacancy. The temperature dependence of the average positron lifetime in both p- and n-type GaSb indicates that negative ion type defects with no associated open volume compete with the Ga vacancies. Based on comparison with theoretical predictions, these negative ions are identified as Ga antisites. The concentrations of these negatively charged defects exceed the Ga vacancy concentrations nearly by an order of magnitude.more » We conclude that the Ga antisite is the native defect responsible for p-type conductivity in GaSb single crystals.« less

Generation and characterization of point defects in SrTiO3 and Y3Al5O12

NASA Astrophysics Data System (ADS)

Selim, F. A.; Winarski, D.; Varney, C. R.; Tarun, M. C.; Ji, Jianfeng; McCluskey, M. D.

Positron annihilation lifetime spectroscopy (PALS) was applied to characterize point defects in single crystals of Y3Al5O12 and SrTiO3 after populating different types of defects by relevant thermal treatments. In SrTiO3, PALS measurements identified Sr vacancy, Ti vacancy, vacancy complexes of Ti-O (vacancy) and hydrogen complex defects. In Y3Al5O12 single crystals the measurements showed the presence of Al-vacancy, (Al-O) vacancy and Al-vacancy passivated by hydrogen. These defects are shown to play the major role in defining the electronic and optical properties of these complex oxides.

A review of defects and disorder in multinary tetrahedrally bonded semiconductors [Defects and disorder in multinary tetrahedrally bonded semiconductors studied by experiment and theory

DOE PAGES

Baranowski, Lauryn L.; Zawadzki, Pawel; Lany, Stephan; ...

2016-11-10

Defects are critical to understanding the electronic properties of semiconducting compounds, for applications such as light-emitting diodes, transistors, photovoltaics, and thermoelectrics. In this review, we describe our work investigating defects in tetrahedrally bonded, multinary semiconductors, and discuss the place of our research within the context of publications by other groups. We applied experimental and theory techniques to understand point defects, structural disorder, and extended antisite defects in one semiconductor of interest for photovoltaic applications, Cu 2SnS 3. We contrast our findings on Cu 2SnS 3 with other chemically related Cu-Sn-S compounds, as well as structurally related compounds such as Cumore » 2ZnSnS 4 and Cu(In,Ga)Se 2. We find that evaluation of point defects alone is not sufficient to understand defect behavior in multinary tetrahedrally bonded semiconductors. In the case of Cu 2SnS 3 and Cu 2ZnSnS 4, structural disorder and entropy-driven cation clustering can result in nanoscale compositional inhomogeneities which detrimentally impact the electronic transport. Therefore, it is not sufficient to assess only the point defect behavior of new multinary tetrahedrally bonded compounds; effects such as structural disorder and extended antisite defects must also be considered. Altogether, this review provides a framework for evaluating tetrahedrally bonded semiconducting compounds with respect to their defect behavior for photovoltaic and other applications, and suggests new materials that may not be as prone to such imperfections.« less

A review of defects and disorder in multinary tetrahedrally bonded semiconductors [Defects and disorder in multinary tetrahedrally bonded semiconductors studied by experiment and theory

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

Baranowski, Lauryn L.; Zawadzki, Pawel; Lany, Stephan

Defects are critical to understanding the electronic properties of semiconducting compounds, for applications such as light-emitting diodes, transistors, photovoltaics, and thermoelectrics. In this review, we describe our work investigating defects in tetrahedrally bonded, multinary semiconductors, and discuss the place of our research within the context of publications by other groups. We applied experimental and theory techniques to understand point defects, structural disorder, and extended antisite defects in one semiconductor of interest for photovoltaic applications, Cu 2SnS 3. We contrast our findings on Cu 2SnS 3 with other chemically related Cu-Sn-S compounds, as well as structurally related compounds such as Cumore » 2ZnSnS 4 and Cu(In,Ga)Se 2. We find that evaluation of point defects alone is not sufficient to understand defect behavior in multinary tetrahedrally bonded semiconductors. In the case of Cu 2SnS 3 and Cu 2ZnSnS 4, structural disorder and entropy-driven cation clustering can result in nanoscale compositional inhomogeneities which detrimentally impact the electronic transport. Therefore, it is not sufficient to assess only the point defect behavior of new multinary tetrahedrally bonded compounds; effects such as structural disorder and extended antisite defects must also be considered. Altogether, this review provides a framework for evaluating tetrahedrally bonded semiconducting compounds with respect to their defect behavior for photovoltaic and other applications, and suggests new materials that may not be as prone to such imperfections.« less

Theoretical model of dynamic spin polarization of nuclei coupled to paramagnetic point defects in diamond and silicon carbide

NASA Astrophysics Data System (ADS)

Ivády, Viktor; Szász, Krisztián; Falk, Abram L.; Klimov, Paul V.; Christle, David J.; Janzén, Erik; Abrikosov, Igor A.; Awschalom, David D.; Gali, Adam

2015-09-01

Dynamic nuclear spin polarization (DNP) mediated by paramagnetic point defects in semiconductors is a key resource for both initializing nuclear quantum memories and producing nuclear hyperpolarization. DNP is therefore an important process in the field of quantum-information processing, sensitivity-enhanced nuclear magnetic resonance, and nuclear-spin-based spintronics. DNP based on optical pumping of point defects has been demonstrated by using the electron spin of nitrogen-vacancy (NV) center in diamond, and more recently, by using divacancy and related defect spins in hexagonal silicon carbide (SiC). Here, we describe a general model for these optical DNP processes that allows the effects of many microscopic processes to be integrated. Applying this theory, we gain a deeper insight into dynamic nuclear spin polarization and the physics of diamond and SiC defects. Our results are in good agreement with experimental observations and provide a detailed and unified understanding. In particular, our findings show that the defect electron spin coherence times and excited state lifetimes are crucial factors in the entire DNP process.

Proton irradiation effects on gallium nitride-based devices

NASA Astrophysics Data System (ADS)

Karmarkar, Aditya P.

Proton radiation effects on state-of-the-art gallium nitride-based devices were studied using Schottky diodes and high electron-mobility transistors. The device degradation was studied over a wide range of proton fluences. This study allowed for a correlation between proton irradiation effects between different types of devices and enhanced the understanding of the mechanisms responsible for radiation damage in GaN-based devices. Proton irradiation causes reduced carrier concentration and increased series resistance and ideality factor in Schottky diodes. 1.0-MeV protons cause greater degradation than 1.8-MeV protons because of their higher non-ionizing energy loss. The displacement damage in Schottky diodes recovers during annealing. High electron-mobility transistors exhibit extremely high radiation tolerance, continuing to perform up to a fluence of ˜1014 cm-2 of 1.8-MeV protons. Proton irradiation creates defect complexes in the thin-film structure. Decreased sheet carrier mobility due to increased carrier scattering and decreased sheet carrier density due to carrier removal by the defect centers are the primary damage mechanisms. Interface disorder at either the Schottky or the Ohmic contact plays a relatively unimportant part in overall device degradation in both Schottky diodes and high electron-mobility transistors.

Kinetics of Schottky defect formation and annihilation in single crystal TlBr.

PubMed

Bishop, Sean R; Tuller, Harry L; Kuhn, Melanie; Ciampi, Guido; Higgins, William; Shah, Kanai S

2013-07-28

The kinetics for Schottky defect (Tl and Br vacancy pair) formation and annihilation in ionically conducting TlBr are characterized through a temperature induced conductivity relaxation technique. Near room temperature, defect generation-annihilation was found to take on the order of hours before equilibrium was reached after a step change in temperature, and that mechanical damage imparted on the sample rapidly increases this rate. The rate limiting step to Schottky defect formation-annihilation is identified as being the migration of lower mobility Tl (versus Br), with an estimate for source-sink density derived from calculated diffusion lengths. This study represents one of the first investigations of Schottky defect generation-annihilation kinetics and demonstrates its utility in quantifying detrimental mechanical damage in radiation detector materials.

Molecular dynamical simulations of melting Al nanoparticles using a reaxff reactive force field

NASA Astrophysics Data System (ADS)

Liu, Junpeng; Wang, Mengjun; Liu, Pingan

2018-06-01

Molecular dynamics simulations were performed to study thermal properties and melting points of Al nanoparticles by using a reactive force field under canonical (NVT) ensembles. Al nanoparticles (particle size 2–4 nm) were considered in simulations. A combination of structural and thermodynamic parameters such as the Lindemann index, heat capacities, potential energy and radial-distribution functions was employed to decide melting points. We used annealing technique to obtain the initial Al nanoparticle model. Comparison was made between ReaxFF results and other simulation results. We found that ReaxFF force field is reasonable to describe Al cluster melting behavior. The linear relationship between particle size and melting points was found. After validating the ReaxFF force field, more attention was paid on thermal properties of Al nanoparticles with different defect concentrations. 4 nm Al nanoparticles with different defect concentrations (5%–20%) were considered in this paper. Our results revealed that: the melting points are irrelevant with defect concentration at a certain particle size. The extra storage energy of Al nanoparticles is proportional to nanoparticles’ defect concentration, when defect concentration is 5%–15%. While the particle with 20% defect concentration is similar to the cluster with 10% defect concentration. After melting, the extra energy of all nanoparticles decreases sharply, and the extra storage energy is nearly zero at 600 K. The centro-symmetry parameter analysis shows structure evolution of different models during melting processes.

Intramedullary Stabilization of Periprosthetic Fractures of the Femur Taking Special Account of Bone Defects.

PubMed

Eingartner, Christoph; Volkmann, Rüdiger; Ochs, Uwe; Egetemeyr, Daniel; Weise, Kuno

2007-10-01

Healing of the periprosthetic fracture and area of defective bone by the bone healing mechanisms of intramedullary stabilization. Reconstruction of the correct length, axial alignment, and rotation of the fractured femoral shaft by anchoring a revision stem in the intact femoral diaphysis. Periprosthetic femoral shaft fracture in the region of the prosthetic stem combined with preexistent loosening and/or defect in the periprosthetic bone bed (Vancouver classification type B2 and B3). General contraindications, local infection. Lateral transmuscular approach to the femoral shaft. Longitudinal osteotomy of the proximal femur taking the geometry of the fracture into account. Opening of an anterior "bone shell". Removal of the loose prosthetic stem and cement. Debridement. Preparation of the femoral diaphysis and insertion of a distally anchored revision stem. Distal locking. Repositioning of the "bone shell", reduction of the fracture, and retention with cerclage wires. Bed rest for approximately 1 week, mobilization with 20 kg partial weight bearing for 12 weeks, gradual increase in weight bearing with radiologic checks on progress, removal of the distal locking bolts after 12-24 months at the earliest. 21 patients (13 women, eight men) aged between 43 and 86 years (mean age: 71.2 years) with periprosthetic fracture of the femur, additional loosening of the stem in eight cases (Vancouver B2) and additional bone loss in 13 cases (Vancouver B3). Postoperative complications: two fractures following another fall (repeat operations: one replacement, one plate), four revisions due to subsidence of the stem (three replacements involving change to a standard stem with healed proximal femur, one replacement with another interlocked revision stem). Bone healing occurred for all fractures after a mean 5.6 months (3-11 months). Follow- up examination after a mean 4.5 years: all patients were able to walk, average Harris Score 70.5 points (29- 95 points).

Intramedullary stabilization of periprosthetic fractures of the femur taking special account of bone defects.

PubMed

Eingartner, Christoph; Volkmann, Rüdiger; Ochs, Uwe; Egetemeyr, Daniel; Weise, Kuno

2006-10-01

Healing of the periprosthetic fracture and area of defective bone by the bone healing mechanisms of intramedullary stabilization. Reconstruction of the correct length, axial alignment, and rotation of the fractured femoral shaft by anchoring a revision stem in the intact femoral diaphysis. Periprosthetic femoral shaft fracture in the region of the prosthetic stem combined with preexistent loosening and/or defect in the periprosthetic bone bed (Vancouver classification type B2 and B3). General contraindications, local infection. Lateral transmuscular approach to the femoral shaft. Longitudinal osteotomy of the proximal femur taking the geometry of the fracture into account. Opening of an anterior "bone shell". Removal of the loose prosthetic stem and cement. Debridement. Preparation of the femoral diaphysis and insertion of a distally anchored revision stem. Distal locking. Repositioning of the "bone shell", reduction of the fracture, and retention with cerclage wires. Bed rest for approximately 1 week, mobilization with 20 kg partial weight bearing for 12 weeks, gradual increase in weight bearing with radiologic checks on progress, removal of the distal locking bolts after 12-24 months at the earliest. 21 patients (13 women, eight men) aged between 43 and 86 years (mean age: 71.2 years) with periprosthetic fracture of the femur, additional loosening of the stem in eight cases (Vancouver B2) and additional bone loss in 13 cases (Vancouver B3). Postoperative complications: two fractures following another fall (repeat operations: one replacement, one plate), four revisions due to subsidence of the stem (three replacements involving change to a standard stem with healed proximal femur, one replacement with another interlocked revision stem). Bone healing occurred for all fractures after a mean 5.6 months (3-11 months). Follow-up examination after a mean 4.5 years: all patients were able to walk, average Harris Score 70.5 points (29-95 points).

Theoretical Study of Defect Signatures in III-V and II-VI Semiconductors

DTIC Science & Technology

2006-03-01

collaboration with experimentalists at Linköpin University (Sweden), we identified the recently observed EPR signals in diluted GaPN to be Gallium ...the results from USPP calculations to all electron calculations. o Study NO-Zni complexes and other point defects in ZnO using USPP calculations...parameters for point defects in semiconductors. o Results on stability of NO-Zni complexes in ZnO and preliminary results on their electronic

Defects in Amorphous Semiconductors: The Case of Amorphous Indium Gallium Zinc Oxide

NASA Astrophysics Data System (ADS)

de Jamblinne de Meux, A.; Pourtois, G.; Genoe, J.; Heremans, P.

2018-05-01

Based on a rational classification of defects in amorphous materials, we propose a simplified model to describe intrinsic defects and hydrogen impurities in amorphous indium gallium zinc oxide (a -IGZO). The proposed approach consists of organizing defects into two categories: point defects, generating structural anomalies such as metal—metal or oxygen—oxygen bonds, and defects emerging from changes in the material stoichiometry, such as vacancies and interstitial atoms. Based on first-principles simulations, it is argued that the defects originating from the second group always act as perfect donors or perfect acceptors. This classification simplifies and rationalizes the nature of defects in amorphous phases. In a -IGZO, the most important point defects are metal—metal bonds (or small metal clusters) and peroxides (O - O single bonds). Electrons are captured by metal—metal bonds and released by the formation of peroxides. The presence of hydrogen can lead to two additional types of defects: metal-hydrogen defects, acting as acceptors, and oxygen-hydrogen defects, acting as donors. The impact of these defects is linked to different instabilities observed in a -IGZO. Specifically, the diffusion of hydrogen and oxygen is connected to positive- and negative-bias stresses, while negative-bias illumination stress originates from the formation of peroxides.

Basic Study on Term of Warranty Liability for Water Supply, Drainage, and Sanitation Arrangement Work Defect in Apartment Building

NASA Astrophysics Data System (ADS)

Park, Junmo; Seo, DeokSeok

2017-06-01

The defect lawsuit of the apartment which is the representative residential style of Korea continues and becomes a social problem. In the defect lawsuit, the term of warranty liability is a period that can demand the defect repair according to defect occurrence, and the exclusion period of the exercise of rights. However, the term of warranty liability stipulated in relevant laws such as Enforcement Decree of the Housing Act is being changed arbitrarily, without any established grounds. Therefore, a reasonable standard for establishing the term of warranty liability is required. In this study, the defects of water supply, drainage and sanitation arrangement work were studied. As a result of analyzing the number of defect occurrence in the apartment, it was shown that the defects in water supply, drainage and sanitation arrangement work occurred more than 80% in the 1st ∼ 2nd year after completion. However, the occurrence of defects from the 3rd year was extremely slight. On the other hand, it was confirmed that the defect occurrence continued until fairly late point of time as the end point of time of the defects was in the 7th to 9th years.

AlGaN/GaN heterostructures with an AlGaN layer grown directly on reactive-ion-etched GaN showing a high electron mobility (>1300 cm2 V-1 s-1)

NASA Astrophysics Data System (ADS)

Yamamoto, Akio; Makino, Shinya; Kanatani, Keito; Kuzuhara, Masaaki

2018-04-01

In this study, the metal-organic-vapor-phase-epitaxial growth behavior and electrical properties of AlGaN/GaN structures prepared by the growth of an AlGaN layer on a reactive-ion-etched (RIE) GaN surface without regrown GaN layers were investigated. The annealing of RIE-GaN surfaces in NH3 + H2 atmosphere, employed immediately before AlGaN growth, was a key process in obtaining a clean GaN surface for AlGaN growth, that is, in obtaining an electron mobility as high as 1350 cm2 V-1 s-1 in a fabricated AlGaN/RIE-GaN structure. High-electron-mobility transistors (HEMTs) were successfully fabricated with AlGaN/RIE-GaN wafers. With decreasing density of dotlike defects observed on the surfaces of AlGaN/RIE-GaN wafers, both two-dimensional electron gas properties of AlGaN/RIE-GaN structures and DC characteristics of HEMTs were markedly improved. Since dotlike defect density was markedly dependent on RIE lot, rather than on growth lot, surface contaminations of GaN during RIE were believed to be responsible for the formation of dotlike defects and, therefore, for the inferior electrical properties.

Enhanced thermoelectric performance of In2O3-based ceramics via Nanostructuring and Point Defect Engineering

PubMed Central

Lan, Jin-Le; Liu, Yaochun; Lin, Yuan-Hua; Nan, Ce-Wen; Cai, Qing; Yang, Xiaoping

2015-01-01

The issue of how to improve the thermoelectric figure of merit (ZT) in oxide semiconductors has been challenging for more than 20 years. In this work, we report an effective path to substantial reduction in thermal conductivity and increment in carrier concentration, and thus a remarkable enhancement in the ZT value is achieved. The ZT value of In2O3 system was enhanced 4-fold by nanostructuing (nano-grains and nano-inclusions) and point defect engineering. The introduction of point defects in In2O3 results in a glass-like thermal conductivity. The lattice thermal conductivity could be reduced by 60%, and extraordinary low lattice thermal conductivity (1.2 W m−1 K−1 @ 973 K) below the amorphous limit was achieved. Our work paves a path for enhancing the ZT in oxides by both the nanosturcturing and the point defect engineering for better phonon-glasses and electron-crystal (PGEC) materials. PMID:25586762

Displacement cascades and defect annealing in tungsten, Part III: The sensitivity of cascade annealing in tungsten to the values of kinetic parameters

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

Nandipati, Giridhar; Setyawan, Wahyu; Heinisch, Howard L.

2015-07-01

Object kinetic Monte Carlo (OKMC) simulations have been performed to investigate various aspects of cascade aging in bulk tungsten and to determine the sensitivity of the results to the kinetic parameters. The primary focus is on how the kinetic parameters affect the initial recombination of defects in the first few ns of a simulation. The simulations were carried out using the object kinetic Monte Carlo (OKMC) code KSOME (kinetic simulations of microstructure evolution), using a database of cascades obtained from results of molecular dynamics (MD) simulations at various primary knock-on atom (PKA) energies and directions at temperatures of 300, 1025more » and 2050 K. The OKMC model was parameterized using defect migration barriers and binding energies from ab initio calculations. Results indicate that, due to the disparate mobilities of SIA and vacancy clusters in tungsten, annealing is dominated by SIA migration even at temperatures as high as 2050 K. For 100 keV cascades initiated at 300 K recombination is dominated by annihilation of large defect clusters. But for all other PKA energies and temperatures most of the recombination is due to the migration and rotation of small SIA clusters, while all the large SIA clusters escape the cubic simulation cell. The inverse U-shape behavior exhibited by the annealing efficiency as a function of temperature curve, especially for cascades of large PKA energies, is due to asymmetry in SIA and vacancy clustering assisted by the large difference in mobilities of SIAs and vacancies. This annealing behavior is unaffected by the dimensionality of SIA migration persists over a broad range of relative mobilities of SIAs and vacancies.« less

Many-Body Theory of Proton-Generated Point Defects for Losses of Electron Energy and Photons in Quantum Wells

NASA Astrophysics Data System (ADS)

Huang, Danhong; Iurov, Andrii; Gao, Fei; Gumbs, Godfrey; Cardimona, D. A.

2018-02-01

The effects of point defects on the loss of either energies of ballistic electron beams or incident photons are studied by using a many-body theory in a multi-quantum-well system. This theory includes the defect-induced vertex correction to a bare polarization function of electrons within the ladder approximation, and the intralayer and interlayer screening of defect-electron interactions is also taken into account in the random-phase approximation. The numerical results of defect effects on both energy-loss and optical-absorption spectra are presented and analyzed for various defect densities, numbers of quantum wells, and wave vectors. The diffusion-reaction equation is employed for calculating distributions of point defects in a layered structure. For completeness, the production rate for Frenkel-pair defects and their initial concentration are obtained based on atomic-level molecular-dynamics simulations. By combining the defect-effect, diffusion-reaction, and molecular-dynamics models with an available space-weather-forecast model, it will be possible in the future to enable specific designing for electronic and optoelectronic quantum devices that will be operated in space with radiation-hardening protection and, therefore, effectively extend the lifetime of these satellite onboard electronic and optoelectronic devices. Specifically, this theory can lead to a better characterization of quantum-well photodetectors not only for high quantum efficiency and low dark current density but also for radiation tolerance or mitigating the effects of the radiation.

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

Kozlovski, V. V.; Lebedev, A. A.; Bogdanova, E. V.

The model of conductivity compensation in SiC under irradiation with high-energy electrons is presented. The following processes are considered to cause a decrease in the free carrier concentration: (i) formation of deep traps by intrinsic point defects, Frenkel pairs produced by irradiation; (ii) 'deactivation' of the dopant via formation of neutral complexes including a dopant atom and a radiation-induced point defect; and (iii) formation of deep compensating traps via generation of charged complexes constituted by a dopant atom and a radiation-induced point defect. To determine the compensation mechanism, dose dependences of the deep compensation of moderately doped SiC (CVD) undermore » electron irradiation have been experimentally studied. It is demonstrated that, in contrast to n-FZ-Si, moderately doped SiC (CVD) exhibits linear dependences (with a strongly nonlinear dependence observed for Si). Therefore, the conductivity compensation in silicon carbide under electron irradiation occurs due to deep traps formed by primary radiation defects (vacancies and interstitial atoms) in the silicon and carbon sublattices. It is known that the compensation in silicon is due to the formation of secondary radiation defects that include a dopant atom. It is shown that, in contrast to n-SiC (CVD), primary defects in only the carbon sublattice of moderately doped p-SiC (CVD) cannot account for the compensation process. In p-SiC, either primary defects in the silicon sublattice or defects in both sublattices are responsible for the conductivity compensation.« less

Vacancy-type defects induced by grinding of Si wafers studied by monoenergetic positron beams

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

Uedono, Akira; Yoshihara, Nakaaki; Mizushima, Yoriko

2014-10-07

Vacancy-type defects introduced by the grinding of Czochralski-grown Si wafers were studied using monoenergetic positron beams. Measurements of Doppler broadening spectra of the annihilation radiation and the lifetime spectra of positrons showed that vacancy-type defects were introduced in the surface region (<98 nm), and the major defect species were identified as (i) relatively small vacancies incorporated in dislocations and (ii) large vacancy clusters. Annealing experiments showed that the defect concentration decreased with increasing annealing temperature in the range between 100 and 500°C. After 600–700°C annealing, the defect-rich region expanded up to about 170 nm, which was attributed to rearrangements ofmore » dislocation networks, and a resultant emission of point defects toward the inside of the sample. Above 800°C, the stability limit of those vacancies was reached and they started to disappear. After the vacancies were annealed out (900°C), oxygen-related defects were the major point defects and they were located at <25 nm.« less

Silicon displacement threshold energy determined by electron paramagnetic resonance and positron annihilation spectroscopy in cubic and hexagonal polytypes of silicon carbide

NASA Astrophysics Data System (ADS)

Kerbiriou, X.; Barthe, M.-F.; Esnouf, S.; Desgardin, P.; Blondiaux, G.; Petite, G.

2007-05-01

Both for electronic and nuclear applications, it is of major interest to understand the properties of point defects into silicon carbide (SiC). Low energy electron irradiations are supposed to create primary defects into materials. SiC single crystals have been irradiated with electrons at two beam energies in order to investigate the silicon displacement threshold energy into SiC. This paper presents the characterization of the electron irradiation-induced point defects into both polytypes hexagonal (6H) and cubic (3C) SiC single crystals by using both positron annihilation spectroscopy (PAS) and electron paramagnetic resonance (EPR). The nature and the concentration of the generated point defects depend on the energy of the electron beam and the polytype. After an electron irradiation at an energy of 800 keV vSi mono-vacancies and vSi-vC di-vacancies are detected in both 3C and 6H-SiC polytypes. On the contrary, the nature of point defects detected after an electron irradiation at 190 keV strongly depends on the polytype. Into 6H-SiC crystals, silicon Frenkel pairs vSi-Si are detected whereas only carbon vacancy related defects are detected into 3C-SiC crystals. The difference observed in the distribution of defects detected into the two polytypes can be explained by the different values of the silicon displacement threshold energies for 3C and 6H-SiC. By comparing the calculated theoretical numbers of displaced atoms with the defects numbers measured using EPR, the silicon displacement threshold energy has been estimated to be slightly lower than 20 eV in the 6H polytype and close to 25 eV in the 3C polytype.

Marine Point Forecasts

Science.gov Websites

with smartphones and other mobile platforms new Marine Point Forecasts are a forecast for a specific maps providing zone/point marine forecasts Mobile, AL Eureka, CA San Francisco, CA Los Angeles, CA San

Fermi Level Control of Point Defects During Growth of Mg-Doped GaN

NASA Astrophysics Data System (ADS)

Bryan, Zachary; Hoffmann, Marc; Tweedie, James; Kirste, Ronny; Callsen, Gordon; Bryan, Isaac; Rice, Anthony; Bobea, Milena; Mita, Seiji; Xie, Jinqiao; Sitar, Zlatko; Collazo, Ramón

2013-05-01

In this study, Fermi level control of point defects during metalorganic chemical vapor deposition (MOCVD) of Mg-doped GaN has been demonstrated by above-bandgap illumination. Resistivity and photoluminescence (PL) measurements are used to investigate the Mg dopant activation of samples with Mg concentration of 2 × 1019 cm-3 grown with and without exposure to ultraviolet (UV) illumination. Samples grown under UV illumination have five orders of magnitude lower resistivity values compared with typical unannealed GaN:Mg samples. The PL spectra of samples grown with UV exposure are similar to the spectra of those grown without UV exposure that were subsequently annealed, indicating a different incorporation of compensating defects during growth. Based on PL and resistivity measurements we show that Fermi level control of point defects during growth of III-nitrides is feasible.

Modelling of thermal field and point defect dynamics during silicon single crystal growth using CZ technique

NASA Astrophysics Data System (ADS)

Sabanskis, A.; Virbulis, J.

2018-05-01

Mathematical modelling is employed to numerically analyse the dynamics of the Czochralski (CZ) silicon single crystal growth. The model is axisymmetric, its thermal part describes heat transfer by conduction and thermal radiation, and allows to predict the time-dependent shape of the crystal-melt interface. Besides the thermal field, the point defect dynamics is modelled using the finite element method. The considered process consists of cone growth and cylindrical phases, including a short period of a reduced crystal pull rate, and a power jump to avoid large diameter changes. The influence of the thermal stresses on the point defects is also investigated.

Defect control of conventional and anomalous electron transport at complex oxide interfaces

DOE PAGES

Gunkel, F.; Bell, Chris; Inoue, Hisashi; ...

2016-08-30

Using low-temperature electrical measurements, the interrelation between electron transport, magnetic properties, and ionic defect structure in complex oxide interface systems is investigated, focusing on NdGaO 3/SrTiO 3 (100) interfaces. Field-dependent Hall characteristics (2–300 K) are obtained for samples grown at various growth pressures. In addition to multiple electron transport, interfacial magnetism is tracked exploiting the anomalous Hall effect (AHE). These two properties both contribute to a nonlinearity in the field dependence of the Hall resistance, with multiple carrier conduction evident below 30 K and AHE at temperatures ≲10 K. Considering these two sources of nonlinearity, we suggest a phenomenological modelmore » capturing the complex field dependence of the Hall characteristics in the low-temperature regime. Our model allows the extraction of the conventional transport parameters and a qualitative analysis of the magnetization. The electron mobility is found to decrease systematically with increasing growth pressure. This suggests dominant electron scattering by acceptor-type strontium vacancies incorporated during growth. The AHE scales with growth pressure. In conclusion, the most pronounced AHE is found at increased growth pressure and, thus, in the most defective, low-mobility samples, indicating a correlation between transport, magnetism, and cation defect concentration.« less

Effect of defects on the small polaron formation and transport properties of hematite from first-principles calculations

NASA Astrophysics Data System (ADS)

Smart, Tyler J.; Ping, Yuan

2017-10-01

Hematite (α-Fe2O3) is a promising candidate as a photoanode material for solar-to-fuel conversion due to its favorable band gap for visible light absorption, its stability in an aqueous environment and its relatively low cost in comparison to other prospective materials. However, the small polaron transport nature in α-Fe2O3 results in low carrier mobility and conductivity, significantly lowering its efficiency from the theoretical limit. Experimentally, it has been found that the incorporation of oxygen vacancies and other dopants, such as Sn, into the material appreciably enhances its photo-to-current efficiency. Yet no quantitative explanation has been provided to understand the role of oxygen vacancy or Sn-doping in hematite. We employed density functional theory to probe the small polaron formation in oxygen deficient hematite, N-doped as well as Sn-doped hematite. We computed the charged defect formation energies, the small polaron formation energy and hopping activation energies to understand the effect of defects on carrier concentration and mobility. This work provides us with a fundamental understanding regarding the role of defects on small polaron formation and transport properties in hematite, offering key insights into the design of new dopants to further improve the efficiency of transition metal oxides for solar-to-fuel conversion.

Suns-VOC characteristics of high performance kesterite solar cells

NASA Astrophysics Data System (ADS)

Gunawan, Oki; Gokmen, Tayfun; Mitzi, David B.

2014-08-01

Low open circuit voltage (VOC) has been recognized as the number one problem in the current generation of Cu2ZnSn(Se,S)4 (CZTSSe) solar cells. We report high light intensity and low temperature Suns-VOC measurement in high performance CZTSSe devices. The Suns-VOC curves exhibit bending at high light intensity, which points to several prospective VOC limiting mechanisms that could impact the VOC, even at 1 sun for lower performing samples. These VOC limiting mechanisms include low bulk conductivity (because of low hole density or low mobility), bulk or interface defects, including tail states, and a non-ohmic back contact for low carrier density CZTSSe. The non-ohmic back contact problem can be detected by Suns-VOC measurements with different monochromatic illuminations. These limiting factors may also contribute to an artificially lower JSC-VOC diode ideality factor.

Enhanced ZnO Thin-Film Transistor Performance Using Bilayer Gate Dielectrics.

PubMed

Alshammari, Fwzah H; Nayak, Pradipta K; Wang, Zhenwei; Alshareef, Husam N

2016-09-07

We report ZnO TFTs using Al2O3/Ta2O5 bilayer gate dielectrics grown by atomic layer deposition. The saturation mobility of single layer Ta2O5 dielectric TFT was 0.1 cm(2) V(-1) s(-1), but increased to 13.3 cm(2) V(-1) s(-1) using Al2O3/Ta2O5 bilayer dielectric with significantly lower leakage current and hysteresis. We show that point defects present in ZnO film, particularly VZn, are the main reason for the poor TFT performance with single layer dielectric, although interfacial roughness scattering effects cannot be ruled out. Our approach combines the high dielectric constant of Ta2O5 and the excellent Al2O3/ZnO interface quality, resulting in improved device performance.

Improvement in crystal quality and optical properties of n-type GaN employing nano-scale SiO2 patterned n-type GaN substrate.

PubMed

Jo, Min Sung; Sadasivam, Karthikeyan Giri; Tawfik, Wael Z; Yang, Seung Bea; Lee, Jung Ju; Ha, Jun Seok; Moon, Young Boo; Ryu, Sang Wan; Lee, June Key

2013-01-01

n-type GaN epitaxial layers were regrown on the patterned n-type GaN substrate (PNS) with different size of silicon dioxide (SiO2) nano dots to improve the crystal quality and optical properties. PNS with SiO2 nano dots promotes epitaxial lateral overgrowth (ELOG) for defect reduction and also acts as a light scattering point. Transmission electron microscopy (TEM) analysis suggested that PNS with SiO2 nano dots have superior crystalline properties. Hall measurements indicated that incrementing values in electron mobility were clear indication of reduction in threading dislocation and it was confirmed by TEM analysis. Photoluminescence (PL) intensity was enhanced by 2.0 times and 3.1 times for 1-step and 2-step PNS, respectively.

Positron annihilation spectroscopy in doped p-type ZnO

NASA Astrophysics Data System (ADS)

Majumdar, Sayanee; Sanyal, D.

2011-07-01

Positron annihilation lifetime (PAL) spectroscopy has been used to investigate the vacancy type defect of the Li and N doped ZnO. The mono-vacancies, shallow -vacancies and open volume defects have been found in both the Li and N doped ZnO. The mono-vacancies, shallow-vacancies and open volume defects increase in N-doped ZnO as the size of N is quite high compared to Li. Positron annihilation study showed that the doping above 1-3% Li and 3-4% N in ZnO are not required in order to achieve low resistivity, high hole concentration and good mobility.

Concentration of point defects in 4H-SiC characterized by a magnetic measurement

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

Peng, B.; Jia, R. X., E-mail: rxjia@mail.xidian.edu.cn; Wang, Y. T.

A magnetic method is presented to characterize the concentration of point defects in silicon carbide. In this method, the concentration of common charged point defects, which is related to the density of paramagnetic centers, is determined by fitting the paramagnetic component of the specimen to the Brillouin function. Several parameters in the Brillouin function can be measured such as: the g-factor can be obtained from electron spin resonance spectroscopy, and the magnetic moment of paramagnetic centers can be obtained from positron lifetime spectroscopy combined with a first-principles calculation. To evaluate the characterization method, silicon carbide specimens with different concentrations ofmore » point defects are prepared with aluminum ion implantation. The fitting results of the densities of paramagnetic centers for the implanted doses of 1 × 10{sup 14} cm{sup −2}, 1 × 10{sup 15} cm{sup −2} and 1 × 10{sup 16} cm{sup −2} are 6.52 × 10{sup 14}/g, 1.14 × 10{sup 15}/g and 9.45 × 10{sup 14}/g, respectively. The same trends are also observed for the S-parameters in the Doppler broadening spectra. It is shown that this method is an accurate and convenient way to obtain the concentration of point defects in 4H-SiC.« less

Electronic structure and defect properties of selenophosphate Pb2P2Se6 for γ-ray detection

NASA Astrophysics Data System (ADS)

Kontsevoi, Oleg Y.; Im, Jino; Wessels, Bruce W.; Kanatzidis, Mercouri G.; Freeman, Arthur J.

Heavy metal chalco-phosphate Pb2P2Se6 has shown a significant promise as an X-ray and γ-ray detector material. To assess the fundamental physical properties important for its performance as detector, theoretical calculations were performed for the electronic structure, band gaps, electron and hole effective masses, and static dielectric constants. The calculations were based on first-principles density functional theory (DFT) and employ the highly precise full potential linearized augmented plane wave method and the projector augmented wave method and include nonlocal exchange-correlation functionals to overcome the band gap underestimation in DFT calculations. The calculations show that Pb2P2Se6 is an indirect band gap material with the calculated band gap of 2.0 eV, has small effective masses, which could result in a good carrier mobility-lifetime product μτ , and a very high static dielectric constant, which could lead to high mobility of carriers by screening of charged scattering centers. We further investigated a large set of native defects in Pb2P2Se6 to determine the optimal growth conditions for application as γ-ray detectors. The results suggest that the prevalent intrinsic defects are selenium vacancies, followed by lead vacancies, then phosphorus vacancies and antisite defects. The effect of various chemical environments on defect properties was examined and the optimal conditions for material synthesis were suggested. Supported by DHS (Grant No. 2014-DN-077-ARI086-01).

The verification of printability about marginal defects and the detectability at the inspection tool in sub 50nm node

NASA Astrophysics Data System (ADS)

Lee, Hyemi; Jeong, Goomin; Seo, Kangjun; Kim, Sangchul; kim, changreol

2008-05-01

Since mask design rule is smaller and smaller, Defects become one of the issues dropping the mask yield. Furthermore controlled defect size become smaller while masks are manufactured. According to ITRS roadmap on 2007, controlled defect size is 46nm in 57nm node and 36nm in 45nm node on a mask. However the machine development is delayed in contrast with the speed of the photolithography development. Generally mask manufacturing process is divided into 3 parts. First part is patterning on a mask and second part is inspecting the pattern and repairing the defect on the mask. At that time, inspection tools of transmitted light type are normally used and are the most trustful as progressive type in the developed inspection tools until now. Final part is shipping the mask after the qualifying the issue points and weak points. Issue points on a mask are qualified by using the AIMS (Aerial image measurement system). But this system is including the inherent error possibility, which is AIMS measures the issue points based on the inspection results. It means defects printed on a wafer are over the specific size detected by inspection tools and the inspection tool detects the almost defects. Even though there are no tools to detect the 46nm and 36nm defects suggested by ITRS roadmap, this assumption is applied to manufacturing the 57nm and 45nm device. So we make the programmed defect mask consisted with various defect type such as spot, clear extension, dark extension and CD variation on L/S(line and space), C/H(contact hole) and Active pattern in 55nm and 45nm node. And the programmed defect mask was inspected by using the inspection tool of transmitted light type and was measured by using AIMS 45-193i. Then the marginal defects were compared between the inspection tool and AIMS. Accordingly we could verify whether defect size is proper or not, which was suggested to be controlled on a mask by ITRS roadmap. Also this result could suggest appropriate inspection tools for next generation device among the inspection tools of transmitted light type, reflected light type and aerial image type.

CCITT (International Telegraph Consultative Committee) Study Groups XI and XVIII Draft Recommendations for ISDN (Integrated Services Digital Networks), November 8-December 2, 1983.

DTIC Science & Technology

1983-12-01

national gateway closest to an MCI interconnection point would be chosen.) Another significant principle is that mobile users area to be addresses the...duplication with E.16n. It was agreed that, from an addressing viewpoint, mobile subscribers are .. like fixed subscribers; i.e., mobile subscribers have TEs...reference points S and T, NTl, and may have NT2. Therefore, an ISDN number has the same ability to unambiguously identify points in mobile subscriber

Low-energy planar magnetic defects in BaFe2As2: Nanotwins, twins, antiphase, and domain boundaries

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

Khan, S. N.; Alam, A.; Johnson, Duane D.

2013-01-01

In BaFe2As2, structural and magnetic planar defects begin to proliferate below the structural phase transition, affecting descriptions of magnetism and superconductivity.We study, using density-functional theory, the stability and magnetic properties of competing antiphase and domain boundaries, twins and isolated nanotwins (twin nuclei), and spin excitations proposed and/or observed. These nanoscale defects have a very low surface energy (22 210 m Jm 2), with twins favorable to the mesoscale. Defects exhibit smaller moments confined near their boundaries making a uniform-moment picture inappropriate for long-range magnetic order in real samples. Nanotwins explain features in measured pair distribution functions so should be consideredmore » when analyzing scattering data. All these defects can be weakly mobile and/or can have fluctuations that lower« less

Dynamic behaviour of nanometre-sized defect clusters emitted from an atomic displacement cascade in Au at 50 K

NASA Astrophysics Data System (ADS)

Ono, K.; Miyamoto, M.; Arakawa, K.; Birtcher, R. C.

2017-09-01

We demonstrate the emission of nanometre-sized defect clusters from an isolated displacement cascade formed by irradiation of high-energy self-ions and their subsequent 1-D motion in Au at 50 K, using in situ electron microscopy. The small defect clusters emitted from a displacement cascade exhibited correlated back-and-forth 1-D motion along the [-1 1 0] direction and coalescence which results in their growth and reduction of their mobility. From the analysis of the random 1-D motion, the diffusivity of the small cluster was evaluated. Correlated 1-D motion and coalescence of clusters were understood via elastic interaction between small clusters. These results provide direct experimental evidence of the migration of small defect clusters and defect cascade evolution at low temperature.

Analysis of an optimization-based atomistic-to-continuum coupling method for point defects

DOE PAGES

Olson, Derek; Shapeev, Alexander V.; Bochev, Pavel B.; ...

2015-11-16

Here, we formulate and analyze an optimization-based Atomistic-to-Continuum (AtC) coupling method for problems with point defects. Application of a potential-based atomistic model near the defect core enables accurate simulation of the defect. Away from the core, where site energies become nearly independent of the lattice position, the method switches to a more efficient continuum model. The two models are merged by minimizing the mismatch of their states on an overlap region, subject to the atomistic and continuum force balance equations acting independently in their domains. We prove that the optimization problem is well-posed and establish error estimates.

Effective response theory for zero-energy Majorana bound states in three spatial dimensions

NASA Astrophysics Data System (ADS)

Lopes, Pedro L. e. S.; Teo, Jeffrey C. Y.; Ryu, Shinsei

2015-05-01

We propose a gravitational response theory for point defects (hedgehogs) binding Majorana zero modes in (3 + 1)-dimensional superconductors. Starting in 4 + 1 dimensions, where the point defect is extended into a line, a coupling of the bulk defect texture with the gravitational field is introduced. Diffeomorphism invariance then leads to an S U (2) 2 Kac-Moody current running along the defect line. The S U (2) 2 Kac-Moody algebra accounts for the non-Abelian nature of the zero modes in 3 + 1 dimensions. It is then shown to also encode the angular momentum density which permeates throughout the bulk between hedgehog-antihedgehog pairs.

Self-regulation mechanism for charged point defects in hybrid halide perovskites

DOE PAGES

Walsh, Aron; Scanlon, David O.; Chen, Shiyou; ...

2014-12-11

Hybrid halide perovskites such as methylammonium lead iodide (CH 3NH 3PbI 3) exhibit unusually low free-carrier concentrations despite being processed at low-temperatures from solution. We demonstrate, through quantum mechanical calculations, that an origin of this phenomenon is a prevalence of ionic over electronic disorder in stoichiometric materials. Schottky defect formation provides a mechanism to self-regulate the concentration of charge carriers through ionic compensation of charged point defects. The equilibrium charged vacancy concentration is predicted to exceed 0.4 % at room temperature. Furthermore, this behavior, which goes against established defect conventions for inorganic semiconductors, has implications for photovoltaic performance.

A sharp interface model for void growth in irradiated materials

NASA Astrophysics Data System (ADS)

Hochrainer, Thomas; El-Azab, Anter

2015-03-01

A thermodynamic formalism for the interaction of point defects with free surfaces in single-component solids has been developed and applied to the problem of void growth by absorption of point defects in irradiated metals. This formalism consists of two parts, a detailed description of the dynamics of defects within the non-equilibrium thermodynamic frame, and the application of the second law of thermodynamics to provide closure relations for all kinetic equations. Enforcing the principle of non-negative entropy production showed that the description of the problem of void evolution under irradiation must include a relationship between the normal fluxes of defects into the void surface and the driving thermodynamic forces for the void surface motion; these thermodynamic forces are identified for both vacancies and interstitials and the relationships between these forces and the normal point defect fluxes are established using the concepts of transition state theory. The latter theory implies that the defect accommodation into the surface is a thermally activated process. Numerical examples are given to illustrate void growth dynamics in this new formalism and to investigate the effect of the surface energy barriers on void growth. Consequences for phase field models of void growth are discussed.

Stable Defects in Semiconductor Nanowires.

PubMed

Sanchez, A M; Gott, J A; Fonseka, H A; Zhang, Y; Liu, H; Beanland, R

2018-05-09

Semiconductor nanowires are commonly described as being defect-free due to their ability to expel mobile defects with long-range strain fields. Here, we describe previously undiscovered topologically protected line defects with null Burgers vector that, unlike dislocations, are stable in nanoscale crystals. We analyze the defects present in semiconductor nanowires in regions of imperfect crystal growth, i.e., at the nanowire tip formed during consumption of the droplet in self-catalyzed vapor-liquid-solid growth and subsequent vapor-solid shell growth. We use a form of the Burgers circuit method that can be applied to multiply twinned material without difficulty. Our observations show that the nanowire microstructure is very different from bulk material, with line defects either (a) trapped by locks or other defects, (b) arranged as dipoles or groups with a zero total Burgers vector, or (c) have a zero Burgers vector. We find two new line defects with a null Burgers vector, formed from the combination of partial dislocations in twinned material. The most common defect is the three-monolayer high twin facet with a zero Burgers vector. Studies of individual nanowires using cathodoluminescence show that optical emission is quenched in defective regions, showing that they act as strong nonradiative recombination centers.

Characterization of Point Defects in Lithium Aluminate (LiAlO2) Single Crystals

DTIC Science & Technology

2015-09-17

high-quality neutron detectors since 235U and 239Pu, the two isotopes used to fuel nuclear weapons , both emit neu- trons through spontaneous fission of...dissertation has iden- tified and characterized the major point defects created and induced through x ray and neutron radiation using electron paramagnetic... neutron irradiation is an F+ center; an oxygen vacancy with one trapped electron. This defect has two states, a stable state that survives up to 500 ◦C and

Governing mobile technology use for continuing professional development in the Australian nursing profession.

PubMed

Mather, Carey Ann; Gale, Fred; Cummings, Elizabeth Anne

2017-01-01

The rapid growth in the use of mobile technology in Australia has outpaced its governance, especially in healthcare settings. Whilst some Australian professional bodies and organisations have developed standards and guidelines to direct appropriate use of social media and mobile technology, clear governance arrangements regarding when, where and how to use mobile technology at point of care in nursing are currently lacking. This paper analyses how the use of mobile technology by nurses at point of care is governed. It highlights the existence of a mobile technology paradox: an identified inability of nurses to access mobile technology in a context where it is increasingly recognised that its use in situ can enhance nursing practice while contributing to mobile learning and continuing professional development. While the recent release of the Registered Nurse Standards for Practice and accompanying Standard for Continuing Professional Development provides some direction regarding professional standards to support the use of mobile technology for mobile learning, we argue a more inclusive approach is required if emerging technologies are to be fully embraced. We describe how an implementation framework, underpinned by more detailed standards, guidelines and codes, could enable the nursing profession to be leaders in embedding mobile technology in healthcare environments nationally and globally. The prevalence of mobile technology in Australia has outpaced its governance in healthcare environments. Its limited availability at point of care is hindering nursing practice, mobile learning and continuing professional development. We discuss the emergence of mobile technology and impediments for its use by nurses in situ. We analyse the professional codes governing nursing, outlining potential reforms to enable implementation of mobile technology at point of care by nurses.

Finite Element Creep Damage Analyses and Life Prediction of P91 Pipe Containing Local Wall Thinning Defect

NASA Astrophysics Data System (ADS)

Xue, Jilin; Zhou, Changyu

2016-03-01

Creep continuum damage finite element (FE) analyses were performed for P91 steel pipe containing local wall thinning (LWT) defect subjected to monotonic internal pressure, monotonic bending moment and combined internal pressure and bending moment by orthogonal experimental design method. The creep damage lives of pipe containing LWT defect under different load conditions were obtained. Then, the creep damage life formulas were regressed based on the creep damage life results from FE method. At the same time a skeletal point rupture stress was found and used for life prediction which was compared with creep damage lives obtained by continuum damage analyses. From the results, the failure lives of pipe containing LWT defect can be obtained accurately by using skeletal point rupture stress method. Finally, the influence of LWT defect geometry was analysed, which indicated that relative defect depth was the most significant factor for creep damage lives of pipe containing LWT defect.

Box 6: Nanoscale Defects

NASA Astrophysics Data System (ADS)

Alves, Eduardo; Breese, Mark

Defects affect virtually all properties of crystalline materials, and their role is magnified in nanoscale structures. In this box we describe the different type of defects with particular emphasis on point and linear defects. Above zero Kelvin all real materials have a defect population within their structure, which affects either their crystalline, electronic or optical properties. It is common to attribute a negative connotation to the presence of defects. However, a perfect silicon crystal or any other defect-free semiconductor would have a limited functionality and might even be useless.

TOPICAL REVIEW: Electron small polarons and bipolarons in LiNbO3

NASA Astrophysics Data System (ADS)

Schirmer, O. F.; Imlau, M.; Merschjann, C.; Schoke, B.

2009-03-01

An overview of the properties of electron small polarons and bipolarons is given, which can occur in the congruently melting composition of LiNbO3 (LN). Such polarons influence the performance of this important optical material decisively. Since coupling to the lattice strongly quenches the tunnelling of free small polarons in general, they are easily localized at one site even by weak irregularities of a crystal. The mechanism of their optical absorptions is thus shared with those of small polarons localized by binding to selected defects. It is shown that the optical properties of free electrons in LN as well as those bound to NbLi antisite defects can be attributed consistently to small polarons. This is extended to electron pairs forming bipolarons bound to NbLi-NbNb nearest neighbours in the LN ground state. On the basis of an elementary phenomenological approach, relying on familiar concepts of defect physics, the peak energies, lineshapes, widths of the related optical absorption bands as well as the defect binding energies induced by lattice distortion are analysed. A criterion universally identifying small polaron absorption bands in oxide materials is pointed out. For the bipolarons, the dissociation energy, 0.27 eV, derived from a corresponding study of the mass action behaviour, is shown to be consistent with the data on isolated polarons. Based on experience with simple O- hole small polaron systems, a mechanism is proposed which explains why the observed small polaron optical absorptions are higher above the peak energies of the bands than those predicted by the conventional theory. The parameters characterizing the optical absorptions are seen to be fully consistent with those determining the electrical conductivity, i.e. the bipolaron dissociation energy and the positions of the defect levels as well as the activation energy of mobility. A reinterpretation of previous thermopower data of reduced LN on the basis of the bipolaron model confirms that the mobility of the free polarons is activated by 0.27 eV. On the basis of the level scheme of the bipolarons as well as the bound and free polarons the temperature dependence of the electronic conductivity is explained. The polaron/bipolaron concept also allows us to account for the concentrations of the various polaron species under the combined influence of illumination and heating. The decay of free and bound polarons dissociated from bipolarons by intense short laser pulses of 532 nm light is put in the present context. A critical review of alternative models, being proposed to explain the mentioned absorption features, is given. These proposals include: single free polarons in the (diamagnetic) LN ground state, oxygen vacancies in their various conceivable charge states, quadpolarons, etc. It is shown why these models cannot explain the experimental findings consistently.

Research on stratified evolution of composite materials under four-point bending loading

NASA Astrophysics Data System (ADS)

Hao, M. J.; You, Q. J.; Zheng, J. C.; Yue, Z.; Xie, Z. P.

2017-12-01

In order to explore the effect of stratified evolution and delamination on the load capacity and service life of the composite materials under the four-point bending loading, the artificial tectonic defects of the different positions were set up. The four-point bending test was carried out, and the whole process was recorded by acoustic emission, and the damage degree of the composite layer was judged by the impact accumulation of the specimen - time-amplitude history chart, load-time-relative energy history chart, acoustic emission impact signal positioning map. The results show that the stratified defects near the surface of the specimen accelerate the process of material failure and expansion. The location of the delamination defects changes the bending performance of the composites to a great extent. The closer the stratification defects are to the surface of the specimen, the greater the damage, the worse the service capacity of the specimen.

Point Defects and p -Type Doping in ScN from First Principles

NASA Astrophysics Data System (ADS)

Kumagai, Yu; Tsunoda, Naoki; Oba, Fumiyasu

2018-03-01

Scandium nitride (ScN) has been intensively researched as a prototype of rocksalt nitrides and a potential counterpart of the wurtzite group IIIa nitrides. It also holds great promise for applications in various fields, including optoelectronics, thermoelectrics, spintronics, and piezoelectrics. We theoretically investigate the bulk properties, band-edge positions, chemical stability, and point defects, i.e., native defects, unintentionally doped impurities, and p -type dopants of ScN using the Heyd-Scuseria-Ernzerhof hybrid functional. We find several fascinating behaviors: (i) a high level for the valence-band maximum, (ii) the lowest formation energy among binary nitrides, (iii) high formation energies of native point defects, (iv) low formation energies of donor-type impurities, and (v) a p -type conversion by Mg doping. Furthermore, we uncover the origins of the Burstein-Moss shift commonly observed in ScN. Our work sheds light on a fundamental understanding of ScN in regard to its technological applications.

Role of the charge state of interface defects in electronic inhomogeneity evolution with gate voltage in graphene

NASA Astrophysics Data System (ADS)

Singh, Anil Kumar; Gupta, Anjan K.

2018-05-01

Evolution of electronic inhomogeneities with back-gate voltage in graphene on SiO2 was studied using room temperature scanning tunneling microscopy and spectroscopy. Reversal of contrast in some places in the conductance maps and sharp changes in cross correlations between topographic and conductance maps, when graphene Fermi energy approaches its Dirac point, are attributed to the change in charge state of interface defects. The spatial correlations in the conductance maps, described by two length scales, and their growth during approach to Dirac point, show a qualitative agreement with the predictions of the screening theory of graphene. Thus a sharp change in the two length scales close to the Dirac point, seen in our experiments, is interpreted in terms of the change in charge state of some of the interface defects. A systematic understanding and control of the charge state of defects can help in memory applications of graphene.

The interaction between atomic displacement cascades and tilt symmetrical grain boundaries in α-zirconium

NASA Astrophysics Data System (ADS)

Kapustin, P.; Svetukhin, V.; Tikhonchev, M.

2017-06-01

The atomic displacement cascade simulations near symmetric tilt grain boundaries (GBs) in hexagonal close packed-Zirconium were considered in this paper. Further defect structure analysis was conducted. Four symmetrical tilt GBs -∑14?, ∑14? with the axis of rotation [0 0 0 1] and ∑32?, ∑32? with the axis of rotation ? - were considered. The molecular dynamics method was used for atomic displacement cascades' simulation. A tendency of the point defects produced in the cascade to accumulate near the GB plane, which was an obstacle to the spread of the cascade, was discovered. The results of the point defects' clustering produced in the cascade were obtained. The clusters of both types were represented mainly by single point defects. At the same time, vacancies formed clusters of a large size (more than 20 vacancies per cluster), while self-interstitial atom clusters were small-sized.

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

Maughan, Annalise E.; Ganose, Alex M.; Bordelon, Mitchell M.

Vacancy-ordered double perovskites of the general formula, A2BX6, are a family of perovskite derivatives composed of a face-centered lattice of nearly isolated [BX6] units with A-site cations occupying the cuboctahedral voids. Despite the presence of isolated octahedral units, the close-packed iodide lattice provides significant electronic dispersion, such that Cs2SnI6 has recently been explored for applications in photovoltaic devices. To elucidate the structure-property relationships of these materials, we have synthesized the solid solution Cs2Sn1-xTexI6. However, even though tellurium substitution increases electronic dispersion via closer I-I contact distances, the substitution experimentally yields insulating behavior from a significant decrease in carrier concentration andmore » mobility. Density functional calculations of native defects in Cs2SnI6 reveal that iodine vacancies exhibit a low enthalpy of formation and the defect energy level is a shallow donor to the conduction band, rendering the material tolerant to these defect states. The increased covalency of Te-I bonding renders the formation of iodine vacancy states unfavorable, and is responsible for the reduction in conductivity upon Te substitution. Additionally, Cs2TeI6 is intolerant to the formation of these defects, as the defect level occurs deep within the band gap and thus localizes potential mobile charge carriers. In these vacancy-ordered double perovskites, the close-packed lattice of iodine provides significant electronic dispersion, while the interaction of the B- and X-site ions dictates the properties as they pertain to electronic structure and defect tolerance. This simplified perspective -- based on extensive experimental and theoretical analysis -- provides a platform from which to understand structure-property relationships in functional perovskite halides.« less

Hidden topological constellations and polyvalent charges in chiral nematic droplets

NASA Astrophysics Data System (ADS)

Posnjak, Gregor; Čopar, Simon; Muševič, Igor

2017-02-01

Topology has an increasingly important role in the physics of condensed matter, quantum systems, material science, photonics and biology, with spectacular realizations of topological concepts in liquid crystals. Here we report on long-lived hidden topological states in thermally quenched, chiral nematic droplets, formed from string-like, triangular and polyhedral constellations of monovalent and polyvalent singular point defects. These topological defects are regularly packed into a spherical liquid volume and stabilized by the elastic energy barrier due to the helical structure and confinement of the liquid crystal in the micro-sphere. We observe, for the first time, topological three-dimensional point defects of the quantized hedgehog charge q=-2, -3. These higher-charge defects act as ideal polyvalent artificial atoms, binding the defects into polyhedral constellations representing topological molecules.

Hidden topological constellations and polyvalent charges in chiral nematic droplets

PubMed Central

Posnjak, Gregor; Čopar, Simon; Muševič, Igor

2017-01-01

Topology has an increasingly important role in the physics of condensed matter, quantum systems, material science, photonics and biology, with spectacular realizations of topological concepts in liquid crystals. Here we report on long-lived hidden topological states in thermally quenched, chiral nematic droplets, formed from string-like, triangular and polyhedral constellations of monovalent and polyvalent singular point defects. These topological defects are regularly packed into a spherical liquid volume and stabilized by the elastic energy barrier due to the helical structure and confinement of the liquid crystal in the micro-sphere. We observe, for the first time, topological three-dimensional point defects of the quantized hedgehog charge q=−2, −3. These higher-charge defects act as ideal polyvalent artificial atoms, binding the defects into polyhedral constellations representing topological molecules. PMID:28220770

A cascade method for TFT-LCD defect detection

NASA Astrophysics Data System (ADS)

Yi, Songsong; Wu, Xiaojun; Yu, Zhiyang; Mo, Zhuoya

2017-07-01

In this paper, we propose a novel cascade detection algorithm which focuses on point and line defects on TFT-LCD. At the first step of the algorithm, we use the gray level difference of su-bimage to segment the abnormal area. The second step is based on phase only transform (POT) which corresponds to the Discrete Fourier Transform (DFT), normalized by the magnitude. It can remove regularities like texture and noise. After that, we improve the method of setting regions of interest (ROI) with the method of edge segmentation and polar transformation. The algorithm has outstanding performance in both computation speed and accuracy. It can solve most of the defect detections including dark point, light point, dark line, etc.

Evaluation of a Computer-Assisted Dental Diagnostic System by Navy Hospital Corpsmen

DTIC Science & Technology

1989-06-23

hypersensitivity 1 Defective restoration Displace/mobility of tooth, favorable prognosis Displace/mobility of tooth, guarded prognosis 2 Endo / perio ... injury Osseous sequestrum 2 Occlusal trauma _1 Periodontal abscess 3 Periocoronitis/erupting tooth 2 Reversible pulpitis Root fracture Total...Trauma Related Injury 1 1 0 *Tooth, Specific 18 26 17 *Teeth, Generalized 1 1 0 *Gingiva, Specific Area 6 1 1 *Gingiva, Generalized Area 2 2 2 *Oral

Broad Area Distributed Gain, Distributed Index Profile GaAlAs Semiconductor Laser Diodes

DTIC Science & Technology

1991-02-14

active region. The external and electron mobilities . This, along with the difference differential quantum efficiency and light-current slope ef- [91...nternotionoi .-. rnri in Circuit Thteor\\ 1991. and Aplications He also has served o~n iechnical and orovrai committees 1 -1 H C Case,, and NI B...sample temperatures. these defects are mobile and cause atomic diffusion, usually called radiation-enhanced diffusion (RED). Since this diffusion

Carrier transport in amorphous silicon utilizing picosecond photoconductivity

NASA Astrophysics Data System (ADS)

Johnson, A. M.

1981-08-01

The development of a high-speed electronic measurement capability permitted the direct observation of the transient photoresponse of amorphous silicon (a-Si) with a time resolution of approximately 10ps. This technique was used to measure the initial mobility of photogenerated (2.1eV) free carriers in three types of a-Si having widely different densities of structural defects (i.e., as prepared by: (1) RF glow discharge (a-Si:H); (2) chemical vapor deposition; and (3) evaporation in ultra-high vacuum). In all three types of a-Si, the same initial mobility of approximately 1 cu cm/Vs at room temperature was found. This result tends to confirm the often-made suggestion that the free carrier mobility is determined by the influence of shallow states associated with the disorder in the random atomic network, and is an intrinsic property of a-Si which is unaffected by the method of preparation. The rate of decay of the photocurrent correlates with the density of structural defects and varies from 4ps to 200ps for the three types of a-Si investigated. The initial mobility of a-Si:H was found to be thermally activated. The possible application of extended state transport controlled by multiple trapping and small polaron formation is discussed.

Polaronic and ionic conduction in NaMnO2: influence of native point defects

NASA Astrophysics Data System (ADS)

Zhu, Zhen; Peelaers, Hartwin; van de Walle, Chris G.

Layered NaMnO2 has promising applications as a cathode material for sodium ion batteries. We will discuss strategies to improve the electrical performance of NaMnO2, including how to optimize the conditions of synthesis and how impurity doping affects the performance. Using hybrid density functional theory, we explored the structural, electronic, and defect properties of bulk NaMnO2. It is antiferromagnetic in the ground state with a band gap of 3.75 eV. Small hole and electron polarons can form in the bulk either through self-trapping or adjacent to point defects. We find that both Na and Mn vacancies are shallow acceptors with the induced holes trapped as small polarons, while O vacancies are deep defect centers. Cation antisites, especially MnNa, are found to have low formation energies. As a result, we expect that MnNa exists in as-grown NaMnO2 in moderate concentrations, rather than forming only at a later stage of the charging process, at which point it causes undesirable structural phase transitions. Both electronic conduction, via polaron hopping, and ionic conduction, through VNa migration, are significantly affected by the presence of point defects. This work was supported by DOE.

Nitrogen vacancy, self-interstitial diffusion, and Frenkel-pair formation/dissociation in B 1 TiN studied by ab initio and classical molecular dynamics with optimized potentials

NASA Astrophysics Data System (ADS)

Sangiovanni, D. G.; Alling, B.; Steneteg, P.; Hultman, L.; Abrikosov, I. A.

2015-02-01

We use ab initio and classical molecular dynamics (AIMD and CMD) based on the modified embedded-atom method (MEAM) potential to simulate diffusion of N vacancy and N self-interstitial point defects in B 1 TiN. TiN MEAM parameters are optimized to obtain CMD nitrogen point-defect jump rates in agreement with AIMD predictions, as well as an excellent description of Ti Nx(˜0.7

A molecular dynamics simulation study of irradiation induced defects in gold nanowire

NASA Astrophysics Data System (ADS)

Liu, Wenqiang; Chen, Piheng; Qiu, Ruizhi; Khan, Maaz; Liu, Jie; Hou, Mingdong; Duan, Jinglai

2017-08-01

Displacement cascade in gold nanowires was studied using molecular dynamics computer simulations. Primary knock-on atoms (PKAs) with different kinetic energies were initiated either at the surface or at the center of the nanowires. We found three kinds of defects that were induced by the cascade, including point defects, stacking faults and crater at the surface. The starting points of PKAs influence the number of residual point defects, and this consequently affect the boundary of anti-radiation window which was proposed by calculation of diffusion of point defects to the free surface of nanowires. Formation of stacking faults that expanded the whole cross-section of gold nanowires was observed when the PKA's kinetic energy was higher than 5 keV. Increasing the PKA's kinetic energy up to more than 10 keV may lead to the formation of crater at the surface of nanowires due to microexplosion of hot atoms. At this energy, PKAs started from the center of nanowires can also result in the creation of crater because length of cascade region is comparable to diameter of nanowires. Both the two factors, namely initial positions of PKAs as well as the craters induced by higher energy irradiation, would influence the ability of radiation resistance of metal nanowires.

Modification of electronic structure, magnetic structure, and topological phase of bismuthene by point defects

NASA Astrophysics Data System (ADS)

Kadioglu, Yelda; Kilic, Sevket Berkay; Demirci, Salih; Aktürk, O. Üzengi; Aktürk, Ethem; Ciraci, Salim

2017-12-01

This paper reveals how the electronic structure, magnetic structure, and topological phase of two-dimensional (2D), single-layer structures of bismuth are modified by point defects. We first showed that a free-standing, single-layer, hexagonal structure of bismuth, named h-bismuthene, exhibits nontrivial band topology. We then investigated interactions between single foreign adatoms and bismuthene structures, which comprise stability, bonding, electronic structure, and magnetic structures. Localized states in diverse locations of the band gap and resonant states in band continua of bismuthene are induced upon the adsorption of different adatoms, which modify electronic and magnetic properties. Specific adatoms result in reconstruction around the adsorption site. Single vacancies and divacancies can form readily in bismuthene structures and remain stable at high temperatures. Through rebondings, Stone-Whales-type defects are constructed by divacancies, which transform into a large hole at high temperature. Like adsorbed adatoms, vacancies induce also localized gap states, which can be eliminated through rebondings in divacancies. We also showed that not only the optical and magnetic properties, but also the topological features of pristine h-bismuthene can be modified by point defects. The modification of the topological features depends on the energies of localized states and also on the strength of coupling between point defects.

41 CFR 51-1.3 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... whose visual acuity, if better than 20/200, is accompanied by a limit to the field of vision in the... congenital defect) which so limits the person's functional capabilities (mobility, communication, self-care...

Effect of point defects on the amorphization of metallic alloys during ion implantation. [NiTi

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

Pedraza, D.F.; Mansur, L.K.

1985-01-01

A theoretical model of radiation-induced amorphization of ordered intermetallic compounds is developed. The mechanism is proposed to be the buildup of lattice defects to very high concentrations, which destabilizes the crystalline structure. Because simple point defects do not normally reach such levels during irradiation, a new defect complex containing a vacancy and an interstitial is hypothesized. Crucial properties of the complex are that the interstitial sees a local chemical environment similar to that of an atom in the ordered lattice, that the formation of the complex prevents mutual recombination and that the complex is immobile. The evolution of a disordermore » based on complexes is not accompanied by like point defect aggregation. The latter leads to the development of a sink microstructure in alloys that do not become amorphous. For electron irradiation, the complexes form by diffusional encounters. For ion irradiation, complexes are also formed directly in cascades. The possibility of direct amorphization in cascades is also included. Calculations for the compound NiTi show reasonable agreement with measured amorphization kinetics.« less

Anticorrelation between Surface and Subsurface Point Defects and the Impact on the Redox Chemistry of TiO2(110)

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

Yoon, Yeohoon; Du, Yingge; Garcia, Juan C.

2015-02-02

Using combination of STM, DFT and SIMS, we explored the interplay and relative impact of surface vs. subsurface defects on the surface chemistry of rutile TiO2. STM results show that surface O vacancies (VO’s) are virtually absent in the vicinity of positively-charged subsurface point-defects. This observation is consistent with DFT calculations of impact of subsurface defect proximity on VO formation energy. To monitor the influence of such lateral anticorrelation on surface redox chemistry, a test reaction of the dissociative adsorption of O2 is employed, which is observed to be suppressed around them. DFT results attribute this to a perceived absencemore » of the intrinsic (Ti) (and likely extrinsic) interstitials in the nearest subsurface layer beneath “inhibited” areas. We also postulate that the entire nearest subsurface region could be voided of any charged point-defects, whereas prevalent VO’s are largely responsible for mediation of the redox chemistry at reduced TiO2(110) surface.« less

Automatic system testing of a decision support system for insulin dosing using Google Android.

PubMed

Spat, Stephan; Höll, Bernhard; Petritsch, Georg; Schaupp, Lukas; Beck, Peter; Pieber, Thomas R

2013-01-01

Hyperglycaemia in hospitalized patients is a common and costly health care problem. The GlucoTab system is a mobile workflow and decision support system, aiming to facilitate efficient and safe glycemic control of non-critically ill patients. Being a medical device, the GlucoTab requires extensive and reproducible testing. A framework for high-volume, reproducible and automated system testing of the GlucoTab system was set up applying several Open Source tools for test automation and system time handling. The REACTION insulin titration protocol was investigated in a paper-based clinical trial (PBCT). In order to validate the GlucoTab system, data from this trial was used for simulation and system tests. In total, 1190 decision support action points were identified and simulated. Four data points (0.3%) resulted in a GlucoTab system error caused by a defective implementation. In 144 data points (12.1%), calculation errors of physicians and nurses in the PBCT were detected. The test framework was able to verify manual calculation of insulin doses and detect relatively many user errors and workflow anomalies in the PBCT data. This shows the high potential of the electronic decision support application to improve safety of implementation of an insulin titration protocol and workflow management system in clinical wards.

Investigation of point and extended defects in electron irradiated silicon—Dependence on the particle energy

NASA Astrophysics Data System (ADS)

Radu, R.; Pintilie, I.; Nistor, L. C.; Fretwurst, E.; Lindstroem, G.; Makarenko, L. F.

2015-04-01

This work is focusing on generation, time evolution, and impact on the electrical performance of silicon diodes impaired by radiation induced active defects. n-type silicon diodes had been irradiated with electrons ranging from 1.5 MeV to 27 MeV. It is shown that the formation of small clusters starts already after irradiation with high fluence of 1.5 MeV electrons. An increase of the introduction rates of both point defects and small clusters with increasing energy is seen, showing saturation for electron energies above ˜15 MeV. The changes in the leakage current at low irradiation fluence-values proved to be determined by the change in the configuration of the tri-vacancy (V3). Similar to V3, other cluster related defects are showing bistability indicating that they might be associated with larger vacancy clusters. The change of the space charge density with irradiation and with annealing time after irradiation is fully described by accounting for the radiation induced trapping centers. High resolution electron microscopy investigations correlated with the annealing experiments revealed changes in the spatial structure of the defects. Furthermore, it is shown that while the generation of point defects is well described by the classical Non Ionizing Energy Loss (NIEL), the formation of small defect clusters is better described by the "effective NIEL" using results from molecular dynamics simulations.

Defect classification in sparsity-based structural health monitoring

NASA Astrophysics Data System (ADS)

Golato, Andrew; Ahmad, Fauzia; Santhanam, Sridhar; Amin, Moeness G.

2017-05-01

Guided waves have gained popularity in structural health monitoring (SHM) due to their ability to inspect large areas with little attenuation, while providing rich interactions with defects. For thin-walled structures, the propagating waves are Lamb waves, which are a complex but well understood type of guided waves. Recent works have cast the defect localization problem of Lamb wave based SHM within the sparse reconstruction framework. These methods make use of a linear model relating the measurements with the scene reflectivity under the assumption of point-like defects. However, most structural defects are not perfect points but tend to assume specific forms, such as surface cracks or internal cracks. Knowledge of the "type" of defects is useful in the assessment phase of SHM. In this paper, we present a dual purpose sparsity-based imaging scheme which, in addition to accurately localizing defects, properly classifies the defects present simultaneously. The proposed approach takes advantage of the bias exhibited by certain types of defects toward a specific Lamb wave mode. For example, some defects strongly interact with the anti-symmetric modes, while others strongly interact with the symmetric modes. We build model based dictionaries for the fundamental symmetric and anti-symmetric wave modes, which are then utilized in unison to properly localize and classify the defects present. Simulated data of surface and internal defects in a thin Aluminum plate are used to validate the proposed scheme.

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

Yu, Sangbae; Yoon, Daseob; Son, Junwoo, E-mail: jwson@postech.ac.kr

We report the enhancement of room-temperature electron mobility in La-doped BaSnO{sub 3} (LBSO) thin films with thermal strain induced by high temperature nitrogen (N{sub 2}) annealing. Simple annealing under an N{sub 2} environment consistently doubled the electron mobility of the LBSO films on the SrTiO{sub 3} (STO) substrates to as high as 78 cm{sup 2} V{sup −1} s{sup −1} at a carrier concentration of 4.0 × 10{sup 20 }cm{sup −3}. This enhancement is mainly attributed to annihilation of extended defects as a consequence of compressive strain induced by the difference in the thermal expansion coefficients of LBSO and STO. Our study suggests that thermalmore » strain can be exploited to reduce extended defects and to facilitate electron transport in transparent oxide semiconductors.« less

The high-mobility-group box protein SSRP1/T160 is essential for cell viability in day 3.5 mouse embryos.

PubMed

Cao, Shang; Bendall, Heather; Hicks, Geoffrey G; Nashabi, Abudi; Sakano, Hitoshi; Shinkai, Yoichi; Gariglio, Marisa; Oltz, Eugene M; Ruley, H Earl

2003-08-01

The high-mobility-group (HMG) SSRP1 protein is a member of a conserved chromatin-remodeling complex (FACT/DUF/CP) implicated in DNA replication, basal and regulated transcription, and DNA repair. To assist in the functional analysis of SSRP1, the Ssrp1 gene was targeted in murine embryonic stem cells, and the mutation was introduced into the germ line. Embryos homozygous for the targeted allele die soon after implantation, and preimplantation blastocysts are defective for cell outgrowth and/or survival in vitro. The Ssrp1 mutation was also crossed into a p53 null background without affecting growth and/or survival defects caused by loss of Ssrp1 function. Thus, Ssrp1 appears to encode nonredundant and p53-independent functions that are essential for cell viability.

Mutant RBL mast cells defective in Fc epsilon RI signaling and lipid raft biosynthesis are reconstituted by activated Rho-family GTPases.

PubMed

Field, K A; Apgar, J R; Hong-Geller, E; Siraganian, R P; Baird, B; Holowka, D

2000-10-01

Characterization of defects in a variant subline of RBL mast cells has revealed a biochemical event proximal to IgE receptor (Fc epsilon RI)-stimulated tyrosine phosphorylation that is required for multiple functional responses. This cell line, designated B6A4C1, is deficient in both Fc epsilon RI-mediated degranulation and biosynthesis of several lipid raft components. Agents that bypass receptor-mediated Ca(2+) influx stimulate strong degranulation responses in these variant cells. Cross-linking of IgE-Fc epsilon RI on these cells stimulates robust tyrosine phosphorylation but fails to mobilize a sustained Ca(2+) response. Fc epsilon RI-mediated inositol phosphate production is not detectable in these cells, and failure of adenosine receptors to mobilize Ca(2+) suggests a general deficiency in stimulated phospholipase C activity. Antigen stimulation of phospholipases A(2) and D is also defective. Infection of B6A4C1 cells with vaccinia virus constructs expressing constitutively active Rho family members Cdc42 and Rac restores antigen-stimulated degranulation, and active Cdc42 (but not active Rac) restores ganglioside and GPI expression. The results support the hypothesis that activation of Cdc42 and/or Rac is critical for Fc epsilon RI-mediated signaling that leads to Ca(2+) mobilization and degranulation. Furthermore, they suggest that Cdc42 plays an important role in the biosynthesis and expression of certain components of lipid rafts.

Optical signatures of deep level defects in Ga2O3

NASA Astrophysics Data System (ADS)

Gao, Hantian; Muralidharan, Shreyas; Pronin, Nicholas; Karim, Md Rezaul; White, Susan M.; Asel, Thaddeus; Foster, Geoffrey; Krishnamoorthy, Sriram; Rajan, Siddharth; Cao, Lei R.; Higashiwaki, Masataka; von Wenckstern, Holger; Grundmann, Marius; Zhao, Hongping; Look, David C.; Brillson, Leonard J.

2018-06-01

We used depth-resolved cathodoluminescence spectroscopy and surface photovoltage spectroscopy to measure the effects of near-surface plasma processing and neutron irradiation on native point defects in β-Ga2O3. The near-surface sensitivity and depth resolution of these optical techniques enabled us to identify spectral changes associated with removing or creating these defects, leading to identification of one oxygen vacancy-related and two gallium vacancy-related energy levels in the β-Ga2O3 bandgap. The combined near-surface detection and processing of Ga2O3 suggests an avenue for identifying the physical nature and reducing the density of native point defects in this and other semiconductors.

Identification of Defects in Piles Through Dynamic Testing

NASA Astrophysics Data System (ADS)

Liao, Shutao T.; Roesset, Jose M.

1997-04-01

The objective of this work was to evaluate the theoretical capabilities of the non-destructive impact-response method in detecting the existence of a single defect in a pile, its location and its length. The cross-section of the pile is assumed to be circular and the defects are assumed to be axisymmetric in geometry. As mentioned in the companion paper, special codes utilizing one-dimensional (1-D) and three-dimensional (3-D) axisymmetric finite element models were developed to simulate the responses of defective piles to an impact load. Extensive parametric studies were then performed. In each study, the results from the direct use of time histories of displacements or velocities and the mechanical admittance (or mobility) function were compared in order to assess their capabilities. The effects of the length and the width of a defect were also investigated using these methods. Int. J. Numer. Anal. Meth. Geomech., vol. 21, 277-291 (1997)

Low-energy planar magnetic defects in BaFe 2 As 2 : Nanotwins, twins, antiphase, and domain boundaries

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

Khan, S. N.; Alam, Aftab; Johnson, Duane D.

2013-11-27

In BaFe 2As 2, structural and magnetic planar defects begin to proliferate below the structural phase transition, affecting descriptions of magnetism and superconductivity. We study, using density-functional theory, the stability and magnetic properties of competing antiphase and domain boundaries, twins and isolated nanotwins (twin nuclei), and spin excitations proposed and/or observed. These nanoscale defects have a very low surface energy (22–210 m Jm -2), with twins favorable to the mesoscale. Defects exhibit smaller moments confined near their boundaries—making a uniform-moment picture inappropriate for long-range magnetic order in real samples. Nanotwins explain features in measured pair distribution functions so should bemore » considered when analyzing scattering data. All these defects can be weakly mobile and/or can have fluctuations that lower assessed “ordered” moments from longer spatial and/or time averaging and should be considered directly.« less

Radiation-acoustic treatment of gallium phosphide light diodes

NASA Astrophysics Data System (ADS)

Tartachnik, Volodimir P.; Gontaruk, Olexsandr M.; Vernydub, Roman M.; Kryvutenko, Anatoly M.; Olikh, Yaroslav M.; Opilat, Vitalij Y.; Petrenko, Igor V.; Pinkovska, Myroslava B.

1999-11-01

The ultrasound influence on the defects of technological and radiation origin of GaP light diodes has been investigated. GaP light diodes were treated by ultrasound wave in different operating modes. Electroluminescence spectra were measured at room and low temperatures, integrated luminosity of devices was checked by solar cell. In order to find out the radiation field influence on non-equilibrium defects of acoustic origin samples were irradiated at room temperature by gamma rays of Co60. It has been discovered that in GaP light diodes treated by ultrasound unstable at room temperature dislocation networks occur at the volume of crystal. Ultrasound dose increase causes the creation of complex defects with high relaxation time and appearing of a part of more mobile defect,s which relax quicker. The nature of effects discovered has been discussed. The method of the emissive capacity restoring of samples degraded after irradiation have been proposed.

Irradiation Induced Microstructure Evolution in Nanostructured Materials: A Review

PubMed Central

Liu, Wenbo; Ji, Yanzhou; Tan, Pengkang; Zang, Hang; He, Chaohui; Yun, Di; Zhang, Chi; Yang, Zhigang

2016-01-01

Nanostructured (NS) materials may have different irradiation resistance from their coarse-grained (CG) counterparts. In this review, we focus on the effect of grain boundaries (GBs)/interfaces on irradiation induced microstructure evolution and the irradiation tolerance of NS materials under irradiation. The features of void denuded zones (VDZs) and the unusual behavior of void formation near GBs/interfaces in metals due to the interactions between GBs/interfaces and irradiation-produced point defects are systematically reviewed. Some experimental results and calculation results show that NS materials have enhanced irradiation resistance, due to their extremely small grain sizes and large volume fractions of GBs/interfaces, which could absorb and annihilate the mobile defects produced during irradiation. However, there is also literature reporting reduced irradiation resistance or even amorphization of NS materials at a lower irradiation dose compared with their bulk counterparts, since the GBs are also characterized by excess energy (compared to that of single crystal materials) which could provide a shift in the total free energy that will lead to the amorphization process. The competition of these two effects leads to the different irradiation tolerance of NS materials. The irradiation-induced grain growth is dominated by irradiation temperature, dose, ion flux, character of GBs/interface and nanoprecipitates, although the decrease of grain sizes under irradiation is also observed in some experiments. PMID:28787902

Use of the rhomboid flap after partial vulvectomy.

PubMed

Barnhill, D R; Hoskins, W J; Metz, P

1983-10-01

Primary closure of vulvar excisions is usually satisfactory in the anterior vulva, where the skin is mobile. In the posterior and posterolateral areas, however, closure often must be accomplished under tension with resulting wound breakdown and scar formation that can be disfiguring and cause dyspareunia. The rhomboid skin flap was described as early as 1946. Initially described for closure of facial defects, the technique has found application in the closure of a variety of traumatic and surgical defects. The authors present eight patients who underwent closure of vulvar defects using single or multiple rhomboid flaps. The applicability of the procedure to vulvar surgery is discussed and the technique is described.

Study of defects in TlBr, InI as potential semiconductor radiation detectors

NASA Astrophysics Data System (ADS)

Biswas, Koushik; Du, Mao-Hua

2011-03-01

Group III-halides such as TlBr and InI are receiving considerable attention for application in room temperature radiation detector devices. It is however, essential that these detector materials have favorable defect properties which enable good carrier transport when operating under an external bias voltage. We have studied the properties of native defects of InI and Tlbr and several important results emerge: (1) Schottky defects are the dominant low-energy defects in both materials that can potentially pin the Fermi level close to midgap, leading to high resistivity; (2) native defects in TlBr are benign in terms of electron trapping. However, anion-vacancy in InI induces a deep electron trap similar to the F -centers in alkali halides. This can reduce electron mobility-lifetime product in InI; (3) low diffusion barriers of vacancies and ionic conductivity could be responsible for the observed polarization phenomenon in both materials at room temperature. U.S. DOE Office of Nonproliferation Research and Development NA22.

Reliability of III-V electronic devices -- the defects that cause the trouble

NASA Astrophysics Data System (ADS)

Pantelides, Sokrates T.

2012-02-01

Degradation of electronic devices by hot electrons is universally attributed to the generation of defects, but the mechanisms for defect generation and the specific nature of the pertinent defects are not known for most systems. Here we describe three recent case studies [1] in III-V high-electron-mobility transistors that illustrate the power of combining density functional calculations and experimental data to identify the pertinent defects and associated degradation mechanisms. In all cases, benign pre-existing defects are either depassivated (irreversible degradation) or transformed to a metastable state (reversible degradation). This work was done in collaboration with R.D. Schrimpf, D.M. Fleetwood, Y. Puzyrev, X. Shen, T. Roy, S. DasGupta, and B.R. Tuttle. Devices were provided by D.F. Brown, J. Speck and U. Mishra, and by J. Bergman and B. Brar. [4pt] [1] Y. S. Puzyrev et al., Appl. Phys. Lett. 96, 053505 (2010); T. Roy et al., Appl. Phys. Lett. 96, 133503 (2010); X. Shen et al., J. Appl. Phys. 108, 114505 (2010).

Monoscopic photogrammetry to obtain 3D models by a mobile device: a method for making facial prostheses.

PubMed

Salazar-Gamarra, Rodrigo; Seelaus, Rosemary; da Silva, Jorge Vicente Lopes; da Silva, Airton Moreira; Dib, Luciano Lauria

2016-05-25

The aim of this study is to present the development of a new technique to obtain 3D models using photogrammetry by a mobile device and free software, as a method for making digital facial impressions of patients with maxillofacial defects for the final purpose of 3D printing of facial prostheses. With the use of a mobile device, free software and a photo capture protocol, 2D captures of the anatomy of a patient with a facial defect were transformed into a 3D model. The resultant digital models were evaluated for visual and technical integrity. The technical process and resultant models were described and analyzed for technical and clinical usability. Generating 3D models to make digital face impressions was possible by the use of photogrammetry with photos taken by a mobile device. The facial anatomy of the patient was reproduced by a *.3dp and a *.stl file with no major irregularities. 3D printing was possible. An alternative method for capturing facial anatomy is possible using a mobile device for the purpose of obtaining and designing 3D models for facial rehabilitation. Further studies must be realized to compare 3D modeling among different techniques and systems. Free software and low cost equipment could be a feasible solution to obtain 3D models for making digital face impressions for maxillofacial prostheses, improving access for clinical centers that do not have high cost technology considered as a prior acquisition.

Damage buildup and edge dislocation mobility in equiatomic multicomponent alloys

NASA Astrophysics Data System (ADS)

Granberg, F.; Djurabekova, F.; Levo, E.; Nordlund, K.

2017-02-01

A new class of single phase metal alloys of equal atomic concentrations has shown very promising mechanical properties and good corrosion resistance. Moreover, a significant reduction in damage accumulation during prolonged irradiation has also been observed in these equiatomic multicomponent alloys. A comparison of elemental Ni with the two component NiFe- and the three component NiCoCr-alloy showed a substantial reduction in damage in both alloys, and an even larger difference was seen if only larger clusters were considered. One of the factors limiting the damage build-up in the alloys compared to the elemental material was seen to be dislocation mobility (Granberg et al., 2016). In this Article, we focus on a more thorough investigation of the mobility of edge dislocations in different cases of the Ni-, NiFe- and NiCoCr-samples. We find that even though the saturated amount of defects in the alloys is lower than in elemental Ni, the defect buildup in the early stages is faster in the alloys. We also find that the dislocation mobility in NiFe is lower than in Ni, at low stresses, and that the onset stress in NiFe is higher than in Ni. The same phenomenon was seen in comparison between NiFe and NiCoCr, since the three component alloy had lower dislocation mobility and higher onset stress. The dislocation velocity in elemental Ni plateaued out just under the forbidden velocity, whereas the alloys showed a more complex behaviour.

Point Defects in Two-Dimensional Layered Semiconductors: Physics and Its Applications

NASA Astrophysics Data System (ADS)

Suh, Joonki

Recent advances in material science and semiconductor processing have been achieved largely based on in-depth understanding, efficient management and advanced application of point defects in host semiconductors, thus finding the relevant techniques such as doping and defect engineering as a traditional scientific and technological solution. Meanwhile, two- dimensional (2D) layered semiconductors currently draw tremendous attentions due to industrial needs and their rich physics at the nanoscale; as we approach the end of critical device dimensions in silicon-based technology, ultra-thin semiconductors have the potential as next- generation channel materials, and new physics also emerges at such reduced dimensions where confinement of electrons, phonons, and other quasi-particles is significant. It is therefore rewarding and interesting to understand and redefine the impact of lattice defects by investigating their interactions with energy/charge carriers of the host matter. Potentially, the established understanding will provide unprecedented opportunities for realizing new functionalities and enhancing the performance of energy harvesting and optoelectronic devices. In this thesis, multiple novel 2D layered semiconductors, such as bismuth and transition- metal chalcogenides, are explored. Following an introduction of conventional effects induced by point defects in semiconductors, the related physics of electronically active amphoteric defects is revisited in greater details. This can elucidate the complication of a two-dimensional electron gas coexisting with the topological states on the surface of bismuth chalcogenides, recently suggested as topological insulators. Therefore, native point defects are still one of the keys to understand and exploit topological insulators. In addition to from a fundamental science point of view, the effects of point defects on the integrated thermal-electrical transport, as well as the entropy-transporting process in thermoelectric materials are thoroughly investigated. Point defects can potentially beat the undesired coupling, often term "thermoelectric Bermuda triangle", among electrical conductivity, thermal conductivity and thermopower. The maximum thermoelectric performance is demonstrated with an intermediate density of defects when they beneficially and multi-functionally act as electron donors, as well as strongly energy-dependent electron and phonon scatterers. Therefore, this is a good example of how fundamental defect physics can be applied for practical devices toward renewable energy technology. Another interesting field of layered nanomaterials is on transition-metal dichalcogenides (TMDs), sensational candidates for 2D semiconductor physics and applications. At the reduced dimensionality of 2D where a far stronger correlation between point defects and charge carriers is expected, it is studied how chalcogen vacancies alter optical properties of monolayer TMDs. A new, sub-bandgap broad emission lines as well as increase in the overall photoluminescence intensity at low temperatures are reported as a result of high quantum efficiency of excitons, i.e., bound electron-hole pairs, localized at defect sites. On electrical transport, both n- and p-type materials are needed to form junctions and support bipolar carrier conduction while typically only one type of doping is stable for a particular TMD. For example, MoS2 is natively n-type, thus the lack of p-type doping hampers the development of charge-splitting p-n junctions of MoS2. To address this issue, we demonstrate stable p-type conduction in MoS2 by substitutional Nb doping up to the degenerate level. Proof-of-concept, van der Waals p-n homo-junctions based on vertically stacked MoS2 layers are also fabricated which enable gate-tuneable current rectification. Various electronic devices fabricated are stable in ambient air even without additional treatment such as capping layer protection, thanks to the substitutionality nature of the doping; this is in stark contrast to the existing approach of using molecular doping, which usually suffers from volatility and reactivity with air and/or water molecules.

Role of plasma-induced defects in the generation of 1/f noise in graphene

NASA Astrophysics Data System (ADS)

Cultrera, Alessandro; Callegaro, Luca; Marzano, Martina; Ortolano, Massimo; Amato, Giampiero

2018-02-01

It has already been reported that 1/f noise in graphene can be dominated by fluctuations of charge carrier mobility. We show here that the increasing damage induced by oxygen plasma on graphene samples result in two trends: at low doses, the magnitude of the 1/f noise increases with the dose; and at high doses, it decreases with the dose. This behaviour is interpreted in the framework of 1/f noise generated by carrier mobility fluctuations where the concentration of mobility fluctuation centers and the mean free path of the carriers are competing factors.

Detection of small surface defects using DCT based enhancement approach in machine vision systems

NASA Astrophysics Data System (ADS)

He, Fuqiang; Wang, Wen; Chen, Zichen

2005-12-01

Utilizing DCT based enhancement approach, an improved small defect detection algorithm for real-time leather surface inspection was developed. A two-stage decomposition procedure was proposed to extract an odd-odd frequency matrix after a digital image has been transformed to DCT domain. Then, the reverse cumulative sum algorithm was proposed to detect the transition points of the gentle curves plotted from the odd-odd frequency matrix. The best radius of the cutting sector was computed in terms of the transition points and the high-pass filtering operation was implemented. The filtered image was then inversed and transformed back to the spatial domain. Finally, the restored image was segmented by an entropy method and some defect features are calculated. Experimental results show the proposed small defect detection method can reach the small defect detection rate by 94%.

Advanced mobility handover for mobile IPv6 based wireless networks.

PubMed

Safa Sadiq, Ali; Fisal, Norsheila Binti; Ghafoor, Kayhan Zrar; Lloret, Jaime

2014-01-01

We propose an Advanced Mobility Handover scheme (AMH) in this paper for seamless mobility in MIPv6-based wireless networks. In the proposed scheme, the mobile node utilizes a unique home IPv6 address developed to maintain communication with other corresponding nodes without a care-of-address during the roaming process. The IPv6 address for each MN during the first round of AMH process is uniquely identified by HA using the developed MN-ID field as a global permanent, which is identifying uniquely the IPv6 address of MN. Moreover, a temporary MN-ID is generated by access point each time an MN is associated with a particular AP and temporarily saved in a developed table inside the AP. When employing the AMH scheme, the handover process in the network layer is performed prior to its default time. That is, the mobility handover process in the network layer is tackled by a trigger developed AMH message to the next access point. Thus, a mobile node keeps communicating with the current access point while the network layer handover is executed by the next access point. The mathematical analyses and simulation results show that the proposed scheme performs better as compared with the existing approaches.

Large disparity between gallium and antimony self-diffusion in gallium antimonide.

PubMed

Bracht, H; Nicols, S P; Walukiewicz, W; Silveira, J P; Briones, F; Haller, E E

2000-11-02

The most fundamental mass transport process in solids is self-diffusion. The motion of host-lattice ('self-') atoms in solids is mediated by point defects such as vacancies or interstitial atoms, whose formation and migration enthalpies determine the kinetics of this thermally activated process. Self-diffusion studies also contribute to the understanding of the diffusion of impurities, and a quantitative understanding of self- and foreign-atom diffusion in semiconductors is central to the development of advanced electronic devices. In the past few years, self-diffusion studies have been performed successfully with isotopically controlled semiconductor heterostructures of germanium, silicon, gallium arsenide and gallium phosphide. Self-diffusion studies with isotopically controlled GaAs and GaP have been restricted to Ga self-diffusion, as only Ga has two stable isotopes, 69Ga and 71Ga. Here we report self-diffusion studies with an isotopically controlled multilayer structure of crystalline GaSb. Two stable isotopes exist for both Ga and Sb, allowing the simultaneous study of diffusion on both sublattices. Our experiments show that near the melting temperature, Ga diffuses more rapidly than Sb by over three orders of magnitude. This surprisingly large difference in atomic mobility requires a physical explanation going beyond standard diffusion models. Combining our data for Ga and Sb diffusion with related results for foreign-atom diffusion in GaSb (refs 8, 9), we conclude that the unusually slow Sb diffusion in GaSb is a consequence of reactions between defects on the Ga and Sb sublattices, which suppress the defects that are required for Sb diffusion.

Ab initio theory of point defects in oxide materials: structure, properties, chemical reactivity

NASA Astrophysics Data System (ADS)

Pacchioni, Gianfranco

2000-05-01

Point defects play a fundamental role in determining the physical and chemical properties of inorganic materials. This holds not only for the bulk properties but also for the surface of oxides where several kinds of point defects exist and exhibit a rich and complex chemistry. A particularly important defect in oxides is the oxygen vacancy. Depending on the electronic structure of the material the nature of oxygen vacancies changes dramatically. In this article we provide a rationalization of the very different electronic structure of neutral and charged oxygen vacancies in SiO 2 and MgO, two oxide materials with completely different electronic structure (from very ionic, MgO, to largely covalent, SiO 2). We used methods of ab initio quantum chemistry, from density functional theory (DFT) to configuration interaction (CI), to determine the ground and excited state properties of these defects. The theoretical results are combined with recent spectroscopic measurements. A series of observable properties has been determined in this way: defect formation energies, hyperfine interactions in electron paramagnetic resonance (EPR) spectra of paramagnetic centers, optical spectra, surface chemical reactivity. The interplay between experimental and theoretical information allows one to unambiguously identify the structure of oxygen vacancies in these binary oxides and on their surfaces.

Photoelectrochemical etching measurement of defect density in GaN grown by nanoheteroepitaxy

NASA Astrophysics Data System (ADS)

Ferdous, M. S.; Sun, X. Y.; Wang, X.; Fairchild, M. N.; Hersee, S. D.

2006-05-01

The density of dislocations in n-type GaN was measured by photoelectrochemical etching. A 10× reduction in dislocation density was observed compared to planar GaN grown at the same time. Cross-sectional transmission electron microscopy studies indicate that defect reduction is due to the mutual cancellation of dislocations with equal and opposite Burger's vectors. The nanoheteroepitaxy sample exhibited significantly higher photoluminescence intensity and higher electron mobility than the planar reference sample.

Intrinsic and extrinsic contributors to defective CD8+ T cell responses with aging.

PubMed

Jergović, Mladen; Smithey, Megan J; Nikolich-Žugich, Janko

2018-05-01

Aging has a profound effect on the immune system, and both innate and adaptive arms of the immune system show functional decline with age. In response to infection with intracellular microorganisms, old animals mobilize decreased numbers of antigen-specific CD8+ T cells with reduced production of effector molecules and impaired cytolytic activity. However, the CD8+ T cell-intrinsic contribution to, and molecular mechanisms behind, these defects remain unclear. In this review we will discuss the mechanistic contributions of age related changes in the CD8+ T cell pool and the relative roles of intrinsic functional defects in aged CD8+ T cells vs. defects in the aged environment initiating the CD8+ T cell response. Copyright © 2018 Elsevier Inc. All rights reserved.

Laparoscopic bridging vs. anatomic open reconstruction for midline abdominal hernia mesh repair [LABOR]: single-blinded, multicenter, randomized, controlled trial on long-term functional results.

PubMed

Stabilini, Cesare; Bracale, Umberto; Pignata, Giusto; Frascio, Marco; Casaccia, Marco; Pelosi, Paolo; Signori, Alessio; Testa, Tommaso; Rosa, Gian Marco; Morelli, Nicola; Fornaro, Rosario; Palombo, Denise; Perotti, Serena; Bruno, Maria Santina; Imperatore, Mikaela; Righetti, Carolina; Pezzato, Stefano; Lazzara, Fabrizio; Gianetta, Ezio

2013-10-28

Re-approximation of the rectal muscles along the midline is recommended by some groups as a rule for incisional and ventral hernia repairs. The introduction of laparoscopic repair has generated a debate because it is not aimed at restoring abdominal wall integrity but instead aims just to bridge the defect. Whether restoration of the abdominal integrity has a real impact on patient mobility is questionable, and the available literature provides no definitive answer. The present study aims to compare the functional results of laparoscopic bridging with those of re-approximation of the rectal muscle in the midline as a mesh repair for ventral and incisional abdominal defect through an "open" access. We hypothesized that, for the type of defect suitable for a laparoscopic bridging, the effect of an anatomical reconstruction is near negligible, thus not a fixed rule. The LABOR trial is a multicenter, prospective, two-arm, single-blinded, randomized trial. Patients of more than 60 years of age with a defect of less than 10 cm at its greatest diameter will be randomly submitted to open Rives or laparoscopic defect repair. All the participating patients will have a preoperative evaluation of their abdominal wall strength and mobility along with volumetry, respiratory function test, intraabdominal pressure and quality of life assessment.The primary outcome will be the difference in abdominal wall strength as measured by a double leg-lowering test performed at 12 months postoperatively. The secondary outcomes will be the rate of recurrence and changes in baseline abdominal mobility, respiratory function tests, intraabdominal pressure, CT volumetry and quality of life at 6 and 12 months postoperatively. The study will help to define the most suitable treatment for small-medium incisional and primary hernias in patients older than 60 years. Given a similar mid-term recurrence rate in both groups, if the trial shows no differences among treatments (acceptance of the null-hypothesis), then the choice of whether to submit a patient to one intervention will be made on the basis of cost and the surgeon's experience. Current Controlled Trials ISRCTN93729016.

Impact of growth rate on graphene lattice-defect formation within a single crystalline domain.

PubMed

Chin, Hao-Ting; Lee, Jian-Jhang; Hofmann, Mario; Hsieh, Ya-Ping

2018-03-06

Chemical vapor deposition (CVD) is promising for the large scale production of graphene and other two-dimensional materials. Optimization of the CVD process for enhancing their quality is a focus of ongoing effort and significant progress has been made in decreasing the defectiveness associated with grain boundaries and nucleation spots. However, little is known about the quality and origin of structural defects in the outgrowing lattice which are present even in single-crystalline material and represent the limit of current optimization efforts. We here investigate the formation kinetics of such defects by controlling graphene's growth rate over a wide range using nanoscale confinements. Statistical analysis of Raman spectroscopic results shows a clear trend between growth rate and defectiveness that is in quantitative agreement with a model where defects are healed preferentially at the growth front. Our results suggest that low growth rates are required to avoid the freezing of lattice defects and form high quality material. This conclusion is confirmed by a fourfold enhancement in graphene's carrier mobility upon optimization of the growth rate.

Semi-empirical device model for Cu2ZnSn(S,Se)4 solar cells

NASA Astrophysics Data System (ADS)

Gokmen, Tayfun; Gunawan, Oki; Mitzi, David B.

2014-07-01

We present a device model for the hydrazine processed kesterite Cu2ZnSn(S,Se)4 (CZTSSe) solar cell with a world record efficiency of ˜12.6%. Detailed comparison of the simulation results, performed using wxAMPS software, to the measured device parameters shows that our model captures the vast majority of experimental observations, including VOC, JSC, FF, and efficiency under normal operating conditions, and temperature vs. VOC, sun intensity vs. VOC, and quantum efficiency. Moreover, our model is consistent with material properties derived from various techniques. Interestingly, this model does not have any interface defects/states, suggesting that all the experimentally observed features can be accounted for by the bulk properties of CZTSSe. An electrical (mobility) gap that is smaller than the optical gap is critical to fit the VOC data. These findings point to the importance of tail states in CZTSSe solar cells.

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

DOE PAGES

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.; ...

2016-09-09

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

Lattice dynamics and the nature of structural transitions in organolead halide perovskites

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

Comin, Riccardo; Crawford, Michael K.; Said, Ayman H.

Organolead halide perovskites are a family of hybrid organic-inorganic compounds whose remark- able optoelectronic properties have been under intensive scrutiny in recent years. Here we use inelastic X-ray scattering to study low-energy lattice excitations in single crystals of methylammonium lead iodide and bromide perovskites. Our ndings conrm the displacive nature of the cubic-to- tetragonal phase transition, which is further shown, using neutron and x-ray diraction, to be close to a tricritical point. The experimental sound speed, around 100-200 m/s, suggests that electron- phonon scattering is likely a limiting factor for further improvements in carrier mobility. Lastly, we detect quasistatic symmetry-breakingmore » nanodomains persisting well into the high-temperature cubic phase, possibly stabilized by local defects. These ndings reveal key structural properties of these materials, but also bear important implications for carrier dynamics across an extended temperature range relevant for photovoltaic applications.« less

[Forensic medical evaluation of stab-incised wounds caused by knives with point defects].

PubMed

Krupin, K N; Leonov, S V

2011-01-01

The present experimental study allowed to characterize specific signs of stab-incised wounds caused by knives with operational point defects. Diagnostic coefficients calculated for these macro- and microscopic features facilitate differential diagnostics of the injuries and make it possible to identify a concrete stabbing/cutting weapon with which the wound was inflicted..

First-principles study on oxidation effects in uranium oxides and high-pressure high-temperature behavior of point defects in uranium dioxide

NASA Astrophysics Data System (ADS)

Geng, Hua Y.; Song, Hong X.; Jin, K.; Xiang, S. K.; Wu, Q.

2011-11-01

Formation Gibbs free energy of point defects and oxygen clusters in uranium dioxide at high-pressure high-temperature conditions are calculated from first principles, using the LSDA+U approach for the electronic structure and the Debye model for the lattice vibrations. The phonon contribution on Frenkel pairs is found to be notable, whereas it is negligible for the Schottky defect. Hydrostatic compression changes the formation energies drastically, making defect concentrations depend more sensitively on pressure. Calculations show that, if no oxygen clusters are considered, uranium vacancy becomes predominant in overstoichiometric UO2 with the aid of the contribution from lattice vibrations, while compression favors oxygen defects and suppresses uranium vacancy greatly. At ambient pressure, however, the experimental observation of predominant oxygen defects in this regime can be reproduced only in a form of cuboctahedral clusters, underlining the importance of defect clustering in UO2+x. Making use of the point defect model, an equation of state for nonstoichiometric oxides is established, which is then applied to describe the shock Hugoniot of UO2+x. Furthermore, the oxidization and compression behavior of uranium monoxide, triuranium octoxide, uranium trioxide, and a series of defective UO2 at 0 K are investigated. The evolution of mechanical properties and electronic structures with an increase of the oxidation degree are analyzed, revealing the transition of the ground state of uranium oxides from metallic to Mott insulator and then to charge-transfer insulator due to the interplay of strongly correlated effects of 5f orbitals and the shift of electrons from uranium to oxygen atoms.

Anomalous Dirac point transport due to extended defects in bilayer graphene.

PubMed

Shallcross, Sam; Sharma, Sangeeta; Weber, Heiko B

2017-08-24

Charge transport at the Dirac point in bilayer graphene exhibits two dramatically different transport states, insulating and metallic, that occur in apparently otherwise indistinguishable experimental samples. We demonstrate that the existence of these two transport states has its origin in an interplay between evanescent modes, that dominate charge transport near the Dirac point, and disordered configurations of extended defects in the form of partial dislocations. In a large ensemble of bilayer systems with randomly positioned partial dislocations, the distribution of conductivities is found to be strongly peaked at both the insulating and metallic limits. We argue that this distribution form, that occurs only at the Dirac point, lies at the heart of the observation of both metallic and insulating states in bilayer graphene.In seemingly indistinguishable bilayer graphene samples, two distinct transport regimes, insulating and metallic, have been identified experimentally. Here, the authors demonstrate that these two states originate from the interplay between extended defects and evanescent modes at the Dirac point.

Experimental investigation on the microscopic structure of intrinsic paramagnetic point defects in amorphous silicon dioxide

NASA Astrophysics Data System (ADS)

Buscarino, G.

2007-11-01

In the present Ph.D. Thesis we report an experimental investigation on the effects of gamma- and beta-ray irradiation and of subsequent thermal treatment on many types of a-SiO2 materials, differing in the production methods, OH- and Al-content, and oxygen deficiencies. Our main objective is to gain further insight on the microscopic structures of the E'_gamma, E'_delta, E'_alpha and triplet paramagnetic centers, which are among the most important and studied class of radiation induced intrinsic point defects in a-SiO2. To pursue this objective, we use prevalently the EPR spectroscopy. In particular, our work is focused on the properties of the unpaired electrons wave functions involved in the defects, and this aspect is mainly investigated through the study of the EPR signals originating from the interaction of the unpaired electrons with 29Si magnetic nuclei (with nuclear spin I=1/2 and natural abundance 4.7 %). In addition, in some cases of interest, OA measurements are also performed with the aim to further characterize the electronic properties of the defects. Furthermore, due to its relevance for electronics application, the charge state of the defects is investigated by looking at the processes responsible for the generation of the defects of interest. Once these information were gained, the possible sites that can serve as precursors for defects formation are deduced, with the definitive purpose to obtain in the future more radiation resistant a-SiO2 materials in which the deleterious effects connected with the point defects are significantly reduced.

Creating a mobile subject guide to improve access to point-of-care resources for medical students: a case study

PubMed Central

Boruff, Jill T; Bilodeau, Edward

2012-01-01

Question: Can a mobile optimized subject guide facilitate medical student access to mobile point-of-care tools? Setting: The guide was created at a library at a research-intensive university with six teaching hospital sites. Objectives: The team created a guide facilitating medical student access to point-of-care tools directly on mobile devices to provide information allowing them to access and set up resources with little assistance. Methods: Two librarians designed a mobile optimized subject guide for medicine and conducted a survey to test its usefulness. Results: Web analytics and survey results demonstrate that the guide is used and the students are satisfied. Conclusion: The library will continue to use the subject guide as its primary means of supporting mobile devices. It remains to be seen if the mobile guide facilitates access for those who do not need assistance and want direct access to the resources. Internet access in the hospitals remains an issue. PMID:22272160

Creating a mobile subject guide to improve access to point-of-care resources for medical students: a case study.

PubMed

Boruff, Jill T; Bilodeau, Edward

2012-01-01

Can a mobile optimized subject guide facilitate medical student access to mobile point-of-care tools? The guide was created at a library at a research-intensive university with six teaching hospital sites. The team created a guide facilitating medical student access to point-of-care tools directly on mobile devices to provide information allowing them to access and set up resources with little assistance. Two librarians designed a mobile optimized subject guide for medicine and conducted a survey to test its usefulness. Web analytics and survey results demonstrate that the guide is used and the students are satisfied. The library will continue to use the subject guide as its primary means of supporting mobile devices. It remains to be seen if the mobile guide facilitates access for those who do not need assistance and want direct access to the resources. Internet access in the hospitals remains an issue.

First-principles investigation of point defect and atomic diffusion in Al2Ca

NASA Astrophysics Data System (ADS)

Tian, Xiao; Wang, Jia-Ning; Wang, Ya-Ping; Shi, Xue-Feng; Tang, Bi-Yu

2017-04-01

Point defects and atomic diffusion in Al2Ca have been studied from first-principles calculations within density functional framework. After formation energy and relative stability of point defects are investigated, several predominant diffusion processes in Al2Ca are studied, including sublattice one-step mechanism, 3-jump vacancy cycles and antistructure sublattice mechanism. The associated energy profiles are calculated with climbing image nudged elastic band (CI-NEB) method, then the saddle points and activation barriers during atomic diffusion are further determined. The resulted activation barriers show that both Al and Ca can diffuse mainly mediated by neighbor vacancy on their own sublattice. 3-jump cycle mechanism mediated by VCa may make some contribution to the overall Al diffusion. And antistructure (AS) sublattice mechanism can also play an important role in Ca atomic diffusion owing to the moderate activation barrier.

Defect production in nonlinear quench across a quantum critical point.

PubMed

Sen, Diptiman; Sengupta, K; Mondal, Shreyoshi

2008-07-04

We show that the defect density n, for a slow nonlinear power-law quench with a rate tau(-1) and an exponent alpha>0, which takes the system through a critical point characterized by correlation length and dynamical critical exponents nu and z, scales as n approximately tau(-alphanud/(alphaznu+1)) [n approximately (alphag((alpha-1)/alpha)/tau)(nud/(znu+1))] if the quench takes the system across the critical point at time t=0 [t=t(0) not = 0], where g is a nonuniversal constant and d is the system dimension. These scaling laws constitute the first theoretical results for defect production in nonlinear quenches across quantum critical points and reproduce their well-known counterpart for a linear quench (alpha=1) as a special case. We supplement our results with numerical studies of well-known models and suggest experiments to test our theory.

Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode

PubMed Central

Xie, Jin; Liao, Lei; Gong, Yongji; Li, Yanbin; Shi, Feifei; Pei, Allen; Sun, Jie; Zhang, Rufan; Kong, Biao; Subbaraman, Ram; Christensen, Jake; Cui, Yi

2017-01-01

Defects are important features in two-dimensional (2D) materials that have a strong influence on their chemical and physical properties. Through the enhanced chemical reactivity at defect sites (point defects, line defects, etc.), one can selectively functionalize 2D materials via chemical reactions and thereby tune their physical properties. We demonstrate the selective atomic layer deposition of LiF on defect sites of h-BN prepared by chemical vapor deposition. The LiF deposits primarily on the line and point defects of h-BN, thereby creating seams that hold the h-BN crystallites together. The chemically and mechanically stable hybrid LiF/h-BN film successfully suppresses lithium dendrite formation during both the initial electrochemical deposition onto a copper foil and the subsequent cycling. The protected lithium electrodes exhibit good cycling behavior with more than 300 cycles at relatively high coulombic efficiency (>95%) in an additive-free carbonate electrolyte. PMID:29202031

Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode

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

Xie, Jin; Liao, Lei; Gong, Yongji

Defects are important features in two-dimensional (2D) materials that have a strong influence on their chemical and physical properties. Through the enhanced chemical reactivity at defect sites (point defects, line defects, etc.), one can selectively functionalize 2D materials via chemical reactions and thereby tune their physical properties. We demonstrate the selective atomic layer deposition of LiF on defect sites of h-BN prepared by chemical vapor deposition. The LiF deposits primarily on the line and point defects of h-BN, thereby creating seams that hold the h-BN crystallites together. The chemically and mechanically stable hybrid LiF/h-BN film successfully suppresses lithium dendrite formationmore » during both the initial electrochemical deposition onto a copper foil and the subsequent cycling. In conclusion, the protected lithium electrodes exhibit good cycling behavior with more than 300 cycles at relatively high coulombic efficiency (>95%) in an additive-free carbonate electrolyte.« less

Stitching h-BN by atomic layer deposition of LiF as a stable interface for lithium metal anode

DOE PAGES

Xie, Jin; Liao, Lei; Gong, Yongji; ...

2017-11-29

Defects are important features in two-dimensional (2D) materials that have a strong influence on their chemical and physical properties. Through the enhanced chemical reactivity at defect sites (point defects, line defects, etc.), one can selectively functionalize 2D materials via chemical reactions and thereby tune their physical properties. We demonstrate the selective atomic layer deposition of LiF on defect sites of h-BN prepared by chemical vapor deposition. The LiF deposits primarily on the line and point defects of h-BN, thereby creating seams that hold the h-BN crystallites together. The chemically and mechanically stable hybrid LiF/h-BN film successfully suppresses lithium dendrite formationmore » during both the initial electrochemical deposition onto a copper foil and the subsequent cycling. In conclusion, the protected lithium electrodes exhibit good cycling behavior with more than 300 cycles at relatively high coulombic efficiency (>95%) in an additive-free carbonate electrolyte.« less

Suppression of compensating native defect formation during semiconductor processing via excess carriers

NASA Astrophysics Data System (ADS)

Alberi, K.; Scarpulla, M. A.

2016-06-01

In many semiconductors, compensating defects set doping limits, decrease carrier mobility, and reduce minority carrier lifetime thus limiting their utility in devices. Native defects are often responsible. Suppressing the concentrations of compensating defects during processing close to thermal equilibrium is difficult because formation enthalpies are lowered as the Fermi level moves towards the majority band edge. Excess carriers, introduced for example by photogeneration, modify the formation enthalpy of semiconductor defects and thus can be harnessed during crystal growth or annealing to suppress defect populations. Herein we develop a rigorous and general model for defect formation in the presence of steady-state excess carrier concentrations by combining the standard quasi-chemical formalism with a detailed-balance description that is applicable for any defect state in the bandgap. Considering the quasi-Fermi levels as chemical potentials, we demonstrate that increasing the minority carrier concentration increases the formation enthalpy for typical compensating centers, thus suppressing their formation. This effect is illustrated for the specific example of GaSb. While our treatment is generalized for excess carrier injection or generation in semiconductors by any means, we provide a set of guidelines for applying the concept in photoassisted physical vapor deposition.

Suppression of compensating native defect formation during semiconductor processing via excess carriers

DOE PAGES

Alberi, Kirstin; Scarpulla, M. A.

2016-06-21

In many semiconductors, compensating defects set doping limits, decrease carrier mobility, and reduce minority carrier lifetime thus limiting their utility in devices. Native defects are often responsible. Suppressing the concentrations of compensating defects during processing close to thermal equilibrium is difficult because formation enthalpies are lowered as the Fermi level moves towards the majority band edge. Excess carriers, introduced for example by photogeneration, modify the formation enthalpy of semiconductor defects and thus can be harnessed during crystal growth or annealing to suppress defect populations. Herein we develop a rigorous and general model for defect formation in the presence of steady-statemore » excess carrier concentrations by combining the standard quasi-chemical formalism with a detailed-balance description that is applicable for any defect state in the bandgap. Considering the quasi-Fermi levels as chemical potentials, we demonstrate that increasing the minority carrier concentration increases the formation enthalpy for typical compensating centers, thus suppressing their formation. Furthermore, this effect is illustrated for the specific example of GaSb. While our treatment is generalized for excess carrier injection or generation in semiconductors by any means, we provide a set of guidelines for applying the concept in photoassisted physical vapor deposition.« less

Point defects in thorium nitride: A first-principles study

NASA Astrophysics Data System (ADS)

Pérez Daroca, D.; Llois, A. M.; Mosca, H. O.

2016-11-01

Thorium and its compounds (carbides and nitrides) are being investigated as possible materials to be used as nuclear fuels for Generation-IV reactors. As a first step in the research of these materials under irradiation, we study the formation energies and stability of point defects in thorium nitride by means of first-principles calculations within the framework of density functional theory. We focus on vacancies, interstitials, Frenkel pairs and Schottky defects. We found that N and Th vacancies have almost the same formation energy and that the most energetically favorable defects of all studied in this work are N interstitials. These kind of results for ThN, to the best authors' knowledge, have not been obtained previously, neither experimentally, nor theoretically.

Error Estimation and Compensation in Reduced Dynamic Models of Large Space Structures

DTIC Science & Technology

1987-04-23

PROCUREMENT INSTRUMENT IDENTIFICATION NUMBER ORGANIZATION (if aplicable ) AFWAL I FIBRA F33615-84-C-3219 8c. ADDRESS (City, Stateand ZIP Code) ?0 SOURCE...10 Modes of the Full Model 15 5 Comparison of Various Reduced Models 18 6 Driving Point Mobilities , Wing Tip (Z55) 19 7 Driving Point Mobilities , Wing...Root Trailing Edge (Z19) 20 8 AMI Improvement 23 9 Frequency Domain Solution, Driving Point Mobilities , Wing Tip (Z55), RM1I 25 10 Frequency Domain

Estimates of point defect production in α-quartz using molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Cowen, Benjamin J.; El-Genk, Mohamed S.

2017-07-01

Molecular dynamics (MD) simulations are performed to investigate the production of point defects in α-quartz by oxygen and silicon primary knock-on atoms (PKAs) of 0.25-2 keV. The Wigner-Seitz (WS) defect analysis is used to identify the produced vacancies, interstitials, and antisites, and the coordination defect analysis is used to identify the under and over-coordinated oxygen and silicon atoms. The defects at the end of the ballistic phase and the residual defects, after annealing, increase with increased PKA energy, and are statistically the same for the oxygen and silicon PKAs. The WS defect analysis results show that the numbers of the oxygen vacancies and interstitials (VO, Oi) at the end of the ballistic phase is the highest, followed closely by those of the silicon vacancies and interstitials (VSi, Sii). The number of the residual oxygen and silicon vacancies and interstitials are statistically the same. In addition, the under-coordinated OI and SiIII, which are the primary defects during the ballistic phase, have high annealing efficiencies (>89%). The over-coordinated defects of OIII and SiV, which are not nearly as abundant in the ballistic phase, have much lower annealing efficiencies (<63%) that decrease with increased PKA energy.

X-Ray Diffraction and Imaging Study of Imperfections of Crystallized Lysozyme with Coherent X-Rays

NASA Technical Reports Server (NTRS)

Hu, Zheng-Wei; Chu, Y. S.; Lai, B.; Cai, Z.; Thomas, B. R.; Chernov, A. A.

2003-01-01

Phase-sensitive x-ray diffraction imaging and high angular-resolution diffraction combined with phase contrast radiographic imaging are employed to characterize defects and perfection of a uniformly grown tetragonal lysozyme crystal in symmetric Laue case. The fill width at half-maximum (FWHM) of a 4 4 0 rocking curve measured from the original crystal is approximately 16.7 arcseconds, and defects, which include point defects, line defects, and microscopic domains, have been clearly observed in the diffraction images of the crystal. The observed line defects carry distinct dislocation features running approximately along the <110> growth front, and they have been found to originate mostly at a central growth area and occasionally at outer growth regions. Individual point defects trapped at a crystal nucleus are resolved in the images of high sensitivity to defects. Slow dehydration has led to the broadening of the 4 4 0 rocking curve by a factor of approximately 2.4. A significant change of the defect structure and configuration with drying has been revealed, which suggests the dehydration induced migration and evolution of dislocations and lattice rearrangements to reduce overall strain energy. The sufficient details of the observed defects shed light upon perfection, nucleation and growth, and properties of protein crystals.

Fast Estimation of Defect Profiles from the Magnetic Flux Leakage Signal Based on a Multi-Power Affine Projection Algorithm

PubMed Central

Han, Wenhua; Shen, Xiaohui; Xu, Jun; Wang, Ping; Tian, Guiyun; Wu, Zhengyang

2014-01-01

Magnetic flux leakage (MFL) inspection is one of the most important and sensitive nondestructive testing approaches. For online MFL inspection of a long-range railway track or oil pipeline, a fast and effective defect profile estimating method based on a multi-power affine projection algorithm (MAPA) is proposed, where the depth of a sampling point is related with not only the MFL signals before it, but also the ones after it, and all of the sampling points related to one point appear as serials or multi-power. Defect profile estimation has two steps: regulating a weight vector in an MAPA filter and estimating a defect profile with the MAPA filter. Both simulation and experimental data are used to test the performance of the proposed method. The results demonstrate that the proposed method exhibits high speed while maintaining the estimated profiles clearly close to the desired ones in a noisy environment, thereby meeting the demand of accurate online inspection. PMID:25192314

Fast estimation of defect profiles from the magnetic flux leakage signal based on a multi-power affine projection algorithm.

PubMed

Han, Wenhua; Shen, Xiaohui; Xu, Jun; Wang, Ping; Tian, Guiyun; Wu, Zhengyang

2014-09-04

Magnetic flux leakage (MFL) inspection is one of the most important and sensitive nondestructive testing approaches. For online MFL inspection of a long-range railway track or oil pipeline, a fast and effective defect profile estimating method based on a multi-power affine projection algorithm (MAPA) is proposed, where the depth of a sampling point is related with not only the MFL signals before it, but also the ones after it, and all of the sampling points related to one point appear as serials or multi-power. Defect profile estimation has two steps: regulating a weight vector in an MAPA filter and estimating a defect profile with the MAPA filter. Both simulation and experimental data are used to test the performance of the proposed method. The results demonstrate that the proposed method exhibits high speed while maintaining the estimated profiles clearly close to the desired ones in a noisy environment, thereby meeting the demand of accurate online inspection.

Electrical Conductivity of Rocks and Dominant Charge Carriers. Part 1; Thermally Activated Positive Holes

NASA Technical Reports Server (NTRS)

Freund, Friedemann T.; Freund, Minoru M.

2012-01-01

The prevailing view in the geophysics community is that the electrical conductivity structure of the Earth's continental crust over the 5-35 km depth range can best be understood by assuming the presence of intergranular fluids and/or of intragranular carbon films. Based on single crystal studies of melt-grown MgO, magma-derived sanidine and anorthosite feldspars and upper mantle olivine, we present evidence for the presence of electronic charge carriers, which derive from peroxy defects that are introduced during cooling, under non-equilibrium conditions, through a redox conversion of pairs of solute hydroxyl arising from dissolution of H2O.The peroxy defects become thermally activated in a 2-step process, leading to the release of defect electrons in the oxygen anion sublattice. Known as positive holes and symbolized by h(dot), these electronic charge carriers are highly mobile. Chemically equivalent to O(-) in a matrix of O(2-) they are highly oxidizing. Being metastable they can exist in the matrix of minerals, which crystallized in highly reduced environments. The h(dot) are highly mobile. They appear to control the electrical conductivity of crustal rocks in much of the 5-35 km depth range.

Role of defects in BiFeO₃ multiferroic films and their local electronic structure by x-ray absorption spectroscopy

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

Ravalia, Ashish; Vagadia, Megha; Solanki, P. S.

2014-10-21

Present study reports the role of defects in the electrical transport in BiFeO₃ (BFO) multiferroic films and its local electronic structure investigated by near-edge X-ray absorption fine structure. Defects created by high energy 200 MeV Ag⁺¹⁵ ion irradiation with a fluence of ∼5 × 10¹¹ ions/cm² results in the increase in structural strain and reduction in the mobility of charge carriers and enhancement in resistive (I-V) and polarization (P-E) switching behaviour. At higher fluence of ∼5 × 10¹² ions/cm², there is a release in the structural strain due to local annealing effect, resulting in an increase in the mobility of charge carriers, which are releasedmore » from oxygen vacancies and hence suppression in resistive and polarization switching. Near-edge X-ray absorption fine structure studies at Fe L₃,₂- and O K-edges show a significant change in the spectral features suggesting the modifications in the local electronic structure responsible for changes in the intrinsic magnetic moment and electrical transport properties of BFO.« less

Using thermally stimulated current (TSC) to investigate disorder in micronized drug substance produced at different milling energies.

PubMed

Forcino, Rachel; Brum, Jeffrey; Galop, Marc; Sun, Yan

2010-10-01

To investigate the use of thermally stimulated current (TSC) to characterize disorder resulting from micronization of a crystalline drug substance. Samples processed at different milling energies are characterized, and annealing studied. Molecular mobility in micronized drug substance was studied using TSC and compared to results from differential scanning calorimetry (DSC). The micronized drug substance TSC spectra are compared to crystalline and amorphous references. TSC shows distinct relaxation modes for micronized material in comparison to a single weak exotherm observed with DSC. Molecular mobility modes are unique for micronized material compared to the amorphous reference indicating physically distinct disorder compared to phase-separated amorphous material. Signals are ascribed as arising from crystal defects. TSC differentiates material processed at different milling energies showing reasonable correlation between the AUC of the α-relaxation and micronization energy. The annealing process of crystal defects in micronized drug appears to proceed differently for α and β relaxations. TSC proves sensitive to the crystal defects in the micronized drug substance studied here. The technique is able to differentiate distinct types of disorder and can be used to characterize noncrystalline regions arising from milling processes which are physically distinct from amorphous material.

On the Enthalpy and Entropy of Point Defect Formation in Crystals

NASA Astrophysics Data System (ADS)

Kobelev, N. P.; Khonik, V. A.

2018-03-01

A standard way to determine the formation enthalpy H and entropy S of point defect formation in crystals consists in the application of the Arrhenius equation for the defect concentration. In this work, we show that a formal use of this method actually gives the effective (apparent) values of these quantities, which appear to be significantly overestimated. The underlying physical reason lies in temperature-dependent formation enthalpy of the defects, which is controlled by temperature dependence of the elastic moduli. We present an evaluation of the "true" H- and S-values for aluminum, which are derived on the basis of experimental data by taking into account temperature dependence of the formation enthalpy related to temperature dependence of the elastic moduli. The knowledge of the "true" activation parameters is needed for a correct calculation of the defect concentration constituting thus an issue of major importance for different fundamental and application issues of condensed matter physics and chemistry.

Influence of point defects on the thermal conductivity in FeSi

NASA Astrophysics Data System (ADS)

Stern, Robin; Wang, Tao; Carrete, Jesús; Mingo, Natalio; Madsen, Georg K. H.

2018-05-01

The unique transport properties of B20 FeSi have been investigated for decades. The progress in theoretical calculations allows the explanation and prediction of more and more of such properties. In this paper we investigate the lattice thermal conductivity of FeSi. Calculation for pristine FeSi severely overestimates the lattice thermal conductivity compared to experiment. We point out that the defect concentration can be considerably larger than indicated by the Hall coefficient. The defect formation energies are calculated and it is found that a substantial amount of iron vacancies can form at thermal equilibrium. These will lead to an increased phonon scattering. To explain the thermal conductivity of FeSi, we consider phonon-phonon, isotope, and phonon-defect scattering to assess possible scattering mechanisms. The calculated thermal conductivities indicate that phonon-defect scattering is important in order to explain the reported experimental values.

Electrically active point defects in Mg implanted n-type GaN grown by metal-organic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Alfieri, G.; Sundaramoorthy, V. K.; Micheletto, R.

2018-05-01

Magnesium (Mg) is the p-type doping of choice for GaN, and selective area doping by ion implantation is a routine technique employed during device processing. While electrically active defects have been thoroughly studied in as-grown GaN, not much is known about defects generated by ion implantation. This is especially true for the case of Mg. In this study, we carried out an electrical characterization investigation of point defects generated by Mg implantation in GaN. We have found at least nine electrically active levels in the 0.2-1.2 eV energy range, below the conduction band. The isochronal annealing behavior of these levels showed that most of them are thermally stable up to 1000 °C. The nature of the detected defects is then discussed in the light of the results found in the literature.

Point defects in hexagonal germanium carbide monolayer: A first-principles calculation

NASA Astrophysics Data System (ADS)

Ersan, Fatih; Gökçe, Aytaç Gürhan; Aktürk, Ethem

2016-12-01

On the basis of first-principles plane-wave calculations, we investigated the electronic and magnetic properties of various point defects including single Ge and C vacancies, Ge + C divacancy, Ge↔C antisites and the Stone-Wales (SW) defects in a GeC monolayer. We found that various periodic vacancy defects in GeC single layer give rise to crucial effects on the electronic and magnetic properties. The band gaps of GeC monolayer vary significantly from 0.308 eV to 1.738 eV due to the presence of antisites and Stone-Wales defects. While nonmagnetic ground state of semiconducting GeC turns into metal by introducing a carbon vacancy, it becomes half-metal by a single Ge vacancy with high magnetization (4 μB) value per supercell. All the vacancy types have zero net magnetic moments, except single Ge vacancy.

Identification of bearing faults using time domain zero-crossings

NASA Astrophysics Data System (ADS)

William, P. E.; Hoffman, M. W.

2011-11-01

In this paper, zero-crossing characteristic features are employed for early detection and identification of single point bearing defects in rotating machinery. As a result of bearing defects, characteristic defect frequencies appear in the machine vibration signal, normally requiring spectral analysis or envelope analysis to identify the defect type. Zero-crossing features are extracted directly from the time domain vibration signal using only the duration between successive zero-crossing intervals and do not require estimation of the rotational frequency. The features are a time domain representation of the composite vibration signature in the spectral domain. Features are normalized by the length of the observation window and classification is performed using a multilayer feedforward neural network. The model was evaluated on vibration data recorded using an accelerometer mounted on an induction motor housing subjected to a number of single point defects with different severity levels.

Electrical instability of high-mobility zinc oxynitride thin-film transistors upon water exposure

NASA Astrophysics Data System (ADS)

Kim, Dae-Hwan; Jeong, Hwan-Seok; Kwon, Hyuck-In

2017-03-01

We investigate the effects of water absorption on the electrical performance and stability in high-mobility zinc oxynitride (ZnON) thin-film transistors (TFTs). The ZnON TFT exhibits a smaller field-effect mobility, lower turn-on voltage, and higher subthreshold slope with a deteriorated electrical stability under positive gate bias stresses after being exposed to water. From the Hall measurements, an increase of the electron concentration and a decrease of the Hall mobility are observed in the ZnON thin film after water absorption. The observed phenomena are mainly attributed to the water molecule-induced increase of the defective ZnXNY bond and the oxygen vacancy inside the ZnON thin film based on the x-ray photoelectron spectroscopy analysis.

Accessing care summaries at point-of-care:Implementation of mobile devices for personal carers in aged care.

PubMed

Brimelow, Rachel E; Gibney, Annie; Meakin, Suzanne; Wollin, Judy A

2017-04-01

Continued development of mobile technology now allows access to information at the point-of-care. This study was conducted to evaluate the use of one such tool on a mobile device, from the carer perspective. Caregivers across 12 aged-care facilities were supplied mobile devices to access a Picture Care Plan (PCP), a specific tool designed around the role of the personal carer. An anonymous questionnaire was subsequently completed by 85 carers with questions relating to participants' experience. Perceived helpfulness of the PCP at the point-of-care was high (87%). A significant number of participants believed the use of the PCP increased resident safety and quality of care (76%). Practical components related to the carrying of the device, network speed and the requirement to maintain communication with senior members of staff to ascertain updates were also expressed by participants. Findings suggest that staff are receptive to adoption of mobile devices to access care directives at the point-of-care and that the technology is useful.

Dimensional control of defect dynamics in perovskite oxide superlattices

NASA Astrophysics Data System (ADS)

Bredeson, Isaac; Zhang, Lipeng; Kent, P. R. C.; Cooper, Valentino R.; Xu, Haixuan

2018-03-01

Point defects play a critical role in the structural, physical, and interfacial properties of perovskite oxide superlattices. However, understanding of the fundamental properties of point defects in superlattices, especially their transport properties, is rather limited. Here, we report predictions of the stability and dynamics of oxygen vacancies in SrTi O3/PbTi O3 oxide superlattices using first-principles calculations in combination with the kinetic Monte Carlo method. By varying the stacking period, i.e., changing of n in n STO /n PTO , we discover a crossover from three-dimensional diffusion to primarily two-dimensional planar diffusion. Such planar diffusion may lead to novel designs of ionic conductors. We show that the dominant vacancy position may vary in the superlattices, depending on the superlattice structure and stacking period, contradicting the common assumption that point defects reside at interfaces. Moreover, we predict a significant increase in room-temperature ionic conductivity for 3STO/3PTO relative to the bulk phases. Considering the variety of cations that can be accommodated in perovskite superlattices and the potential mismatch of spin, charge, and orbitals at the interfaces, this paper identifies a pathway to control defect dynamics for technological applications.

Anisotropy of the solid–liquid interface properties of the Ni–Zr B33 phase from molecular dynamics simulation

DOE PAGES

Wilson, S. R.; Mendelev, M. I.

2015-01-08

Solid–liquid interface (SLI) properties of the Ni–Zr B33 phase were determined from molecular dynamics simulations. In order to perform these measurements, a new semi-empirical potential for Ni–Zr alloy was developed that well reproduces the material properties required to model SLIs in the Ni 50.0Zr 50.0 alloy. In particular, the developed potential is shown to provide that the solid phase emerging from the liquid Ni 50.0Zr 50.0alloy is B33 (apart from a small fraction of point defects), in agreement with the experimental phase diagram. The SLI properties obtained using the developed potential exhibit an extraordinary degree of anisotropy. It is observedmore » that anisotropies in both the interfacial free energy and mobility are an order of magnitude larger than those measured to date in any other metallic compound. Moreover, the [0 1 0] interface is shown to play a significant role in the observed anisotropy. Our data suggest that the [0 1 0] interface simultaneously corresponds to the lowest mobility, the lowest free energy and the highest stiffness of all inclinations in B33 Ni–Zr. This finding can be understood by taking into account a rather complicated crystal structure in this crystallographic direction.« less

Understanding the synthesis, performance, and passivation of metal oxide photocathodes

NASA Astrophysics Data System (ADS)

Flynn, Cory James

Metal oxides are ubiquitous in semiconductor technologies for their ease of synthesis, chemical stability, and tunable optical/electronic properties. These properties are especially important to fabricating efficient photoelectrodes for solar-energy applications. To counter inherent problems in these materials, new strategies were developed and successfully implemented on the widely-utilized p-type semiconductor, NiO. As the size of semiconductor materials shrink, the surface-to-volume ratio increases and surface defects dominate the performance of the materials. Surface defects can alter the optical and electronic characteristics of materials by changing the Fermi level, charge-carrier mobility, and surface reactivity. We first present a strategy to increase the electrical mobility of mesoporous metal oxide electrode materials by optimizing shape morphology. Transitioning from nanospheres to hexagonal nanoplatelets increased the charge-carrier mobility by one order of magnitude. We then employed this improved material with a new vapor-phase deposition method termed targeted atomic deposition (TAD) to selectively passivate defect sites in semiconductor nanomaterials. We demonstrated the capabilities of this passivation method by applying a TAD of aluminum onto NiO. By exploiting a temperature-dependent deposition process, we selectively passivated the highly reactive sites in NiO: oxygen dangling bonds associated with Ni vacancies. The TAD treatment completely passivated all measurable surface defects, optically bleached the material, and significantly improved all photovoltaic performance metrics in dye-sensitized solar cells. The technique was proven to be generic to numerous forms of NiO. While the implementation of TAD of Al was successful, the process involved pulsing two precursors to passivate the material. Ideally, the TAD process should require only a single precursor and continuous exposure. We utilized a continuous flow of diborane to perform a TAD of B onto NiO. The TAD process was successfully implemented in a simplified manner. The treatment moderately increased DSSC performance and proved viability with a different vapor-phase precursor.

Mobilization of bone marrow mesenchymal stem cells in vivo augments bone healing in a mouse model of segmental bone defect.

PubMed

Kumar, Sanjay; Ponnazhagan, Selvarangan

2012-04-01

Although the number of mesenchymal stem cells (MSC) in the bone marrow is sufficient to maintain skeletal homeostasis, in osteopenic pathology, aggravated osteoclast activity or insufficient osteoblast numbers ensue, affecting normal bone remodeling. Most of the currently available therapies are anti-resorptive with limited osteogenic potential. Since mobilization of stem/progenitors from the BM is a prerequisite for their participation in tissue repair, amplification of endogenous stem cells may provide an alternative approach in these conditions. The present study determined the potential of MSC mobilization in vivo, using combinations of different growth factors with the CXCR4 antagonist, AMD3100, in a mouse model of segmental bone defect. Results indicated that among several factors tested IGF1 had maximum proliferative ability of MSC in vitro. Results of the in vivo studies indicated that the combination of IGF1 and AMD3100 provided significant augmentation of bone growth as determined by DXA, micro-CT and histomorphometry in mice bearing segmental fractures. Further, characterization of MSC isolated from mice treated with IGF1 and AMD3100 indicated Akt/PI3K, MEK1/2-Erk1/2 and smad2/3 as key signaling pathways mediating this effect. These data indicate the potential of in vivo stem cell mobilization as a novel alternative for bone healing. Copyright © 2012 Elsevier Inc. All rights reserved.

Advanced Mobility Handover for Mobile IPv6 Based Wireless Networks

PubMed Central

Safa Sadiq, Ali; Fisal, Norsheila Binti; Ghafoor, Kayhan Zrar; Lloret, Jaime

2014-01-01

We propose an Advanced Mobility Handover scheme (AMH) in this paper for seamless mobility in MIPv6-based wireless networks. In the proposed scheme, the mobile node utilizes a unique home IPv6 address developed to maintain communication with other corresponding nodes without a care-of-address during the roaming process. The IPv6 address for each MN during the first round of AMH process is uniquely identified by HA using the developed MN-ID field as a global permanent, which is identifying uniquely the IPv6 address of MN. Moreover, a temporary MN-ID is generated by access point each time an MN is associated with a particular AP and temporarily saved in a developed table inside the AP. When employing the AMH scheme, the handover process in the network layer is performed prior to its default time. That is, the mobility handover process in the network layer is tackled by a trigger developed AMH message to the next access point. Thus, a mobile node keeps communicating with the current access point while the network layer handover is executed by the next access point. The mathematical analyses and simulation results show that the proposed scheme performs better as compared with the existing approaches. PMID:25614890

Point-Cloud Compression for Vehicle-Based Mobile Mapping Systems Using Portable Network Graphics

NASA Astrophysics Data System (ADS)

Kohira, K.; Masuda, H.

2017-09-01

A mobile mapping system is effective for capturing dense point-clouds of roads and roadside objects Point-clouds of urban areas, residential areas, and arterial roads are useful for maintenance of infrastructure, map creation, and automatic driving. However, the data size of point-clouds measured in large areas is enormously large. A large storage capacity is required to store such point-clouds, and heavy loads will be taken on network if point-clouds are transferred through the network. Therefore, it is desirable to reduce data sizes of point-clouds without deterioration of quality. In this research, we propose a novel point-cloud compression method for vehicle-based mobile mapping systems. In our compression method, point-clouds are mapped onto 2D pixels using GPS time and the parameters of the laser scanner. Then, the images are encoded in the Portable Networking Graphics (PNG) format and compressed using the PNG algorithm. In our experiments, our method could efficiently compress point-clouds without deteriorating the quality.

Combining the 3D model generated from point clouds and thermography to identify the defects presented on the facades of a building

NASA Astrophysics Data System (ADS)

Huang, Yishuo; Chiang, Chih-Hung; Hsu, Keng-Tsang

2018-03-01

Defects presented on the facades of a building do have profound impacts on extending the life cycle of the building. How to identify the defects is a crucial issue; destructive and non-destructive methods are usually employed to identify the defects presented on a building. Destructive methods always cause the permanent damages for the examined objects; on the other hand, non-destructive testing (NDT) methods have been widely applied to detect those defects presented on exterior layers of a building. However, NDT methods cannot provide efficient and reliable information for identifying the defects because of the huge examination areas. Infrared thermography is often applied to quantitative energy performance measurements for building envelopes. Defects on the exterior layer of buildings may be caused by several factors: ventilation losses, conduction losses, thermal bridging, defective services, moisture condensation, moisture ingress, and structure defects. Analyzing the collected thermal images can be quite difficult when the spatial variations of surface temperature are small. In this paper the authors employ image segmentation to cluster those pixels with similar surface temperatures such that the processed thermal images can be composed of limited groups. The surface temperature distribution in each segmented group is homogenous. In doing so, the regional boundaries of the segmented regions can be identified and extracted. A terrestrial laser scanner (TLS) is widely used to collect the point clouds of a building, and those point clouds are applied to reconstruct the 3D model of the building. A mapping model is constructed such that the segmented thermal images can be projected onto the 2D image of the specified 3D building. In this paper, the administrative building in Chaoyang University campus is used as an example. The experimental results not only provide the defect information but also offer their corresponding spatial locations in the 3D model.

Planned LMSS propagation experiment using ACTS: Preliminary antenna pointing results during mobile operations

NASA Technical Reports Server (NTRS)

Rowland, John R.; Goldhirsh, Julius; Vogel, Wolfhard J.; Torrence, Geoffrey W.

1991-01-01

An overview and a status description of the planned LMSS mobile K band experiment with ACTS is presented. As a precursor to the ACTS mobile measurements at 20.185 GHz, measurements at 19.77 GHz employing the Olympus satellite were originally planned. However, because of the demise of Olympus in June of 1991, the efforts described here are focused towards the ACTS measurements. In particular, we describe the design and testing results of a gyro controlled mobile-antenna pointing system. Preliminary pointing measurements during mobile operations indicate that the present system is suitable for measurements employing a 15 cm aperture (beamwidth at approximately 7 deg) receiving antenna operating with ACTS in the high gain transponder mode. This should enable measurements with pattern losses smaller than plus or minus 1 dB over more than 95 percent of the driving distance. Measurements with the present mount system employing a 60 cm aperture (beamwidth at approximately 1.7 deg) results in pattern losses smaller than plus or minus 3 dB for 70 percent of the driving distance. Acceptable propagation measurements may still be made with this system by employing developed software to flag out bad data points due to extreme pointing errors. The receiver system including associated computer control software has been designed and assembled. Plans are underway to integrate the antenna mount with the receiver on the University of Texas mobile receiving van and repeat the pointing tests on highways employing a recently designed radome system.

Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys

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

Velişa, G.; Wendler, E.; Zhao, S.

A combined experimental and computational evaluation of damage accumulation in ion-irradiated Ni, NiFe, and NiFeCoCr is presented. Furthermore, a suppressed damage accumulation, at early stages (low-fluence irradiation), is revealed in NiFeCoCr, with a linear dependence as a function of ion fluence, in sharp contrast with Ni and NiFe. This effect, observed at 16 K, is attributed to the complex energy landscape in these alloys that limits defect mobility and therefore enhances defect interaction and recombination. Our results, together with previous room-temperature and high-temperature investigations, suggest "self-healing" as an intrinsic property of complex alloys that is not a thermally activated process.

Delayed damage accumulation by athermal suppression of defect production in concentrated solid solution alloys

DOE PAGES

Velişa, G.; Wendler, E.; Zhao, S.; ...

2017-12-17

A combined experimental and computational evaluation of damage accumulation in ion-irradiated Ni, NiFe, and NiFeCoCr is presented. Furthermore, a suppressed damage accumulation, at early stages (low-fluence irradiation), is revealed in NiFeCoCr, with a linear dependence as a function of ion fluence, in sharp contrast with Ni and NiFe. This effect, observed at 16 K, is attributed to the complex energy landscape in these alloys that limits defect mobility and therefore enhances defect interaction and recombination. Our results, together with previous room-temperature and high-temperature investigations, suggest "self-healing" as an intrinsic property of complex alloys that is not a thermally activated process.

Increased Phonon Scattering by Nanograins and Point Defects in Nanostructured Silicon with a Low Concentration of Germanium

NASA Astrophysics Data System (ADS)

Zhu, G. H.; Lee, H.; Lan, Y. C.; Wang, X. W.; Joshi, G.; Wang, D. Z.; Yang, J.; Vashaee, D.; Guilbert, H.; Pillitteri, A.; Dresselhaus, M. S.; Chen, G.; Ren, Z. F.

2009-05-01

The mechanism for phonon scattering by nanostructures and by point defects in nanostructured silicon (Si) and the silicon germanium (Ge) alloy and their thermoelectric properties are investigated. We found that the thermal conductivity is reduced by a factor of 10 in nanostructured Si in comparison with bulk crystalline Si. However, nanosize interfaces are not as effective as point defects in scattering phonons with wavelengths shorter than 1 nm. We further found that a 5at.% Ge replacing Si is very efficient in scattering phonons shorter than 1 nm, resulting in a further thermal conductivity reduction by a factor of 2, thereby leading to a thermoelectric figure of merit 0.95 for Si95Ge5, similar to that of large grained Si80Ge20 alloys.

Characterization of few-layered graphene grown by carbon implantation

NASA Astrophysics Data System (ADS)

Lee, Kin Kiong; McCallum, Jeffrey C.; Jamieson, David N.

2014-02-01

Graphene is considered to be a very promising material for applications in nanotechnology. The properties of graphene are strongly dependent on defects that occur during growth and processing. These defects can be either detrimental or beneficial to device performance depending on defect type, location and device application. Here we present experimental results on formation of few-layered graphene by carbon ion implantation into nickel films and characteristics of graphene devices formed by graphene transfer and lithographic patterning. Micro-Raman spectroscopy was used to determine the number of graphene layers formed and identify defects arising from the device processing. The graphene films were cleaned by annealing in vacuum. Transport properties of cleaned graphene films were investigated by fabrication of back-gated field-effect transistors, which exhibited high hole and electron mobility of 1935 and 1905 cm2/Vs, respectively.

First-principles study on C=C defects near SiC/SiO2 interface: Defect passivation by double-bond saturation

NASA Astrophysics Data System (ADS)

Tajima, Nobuo; Kaneko, Tomoaki; Yamasaki, Takahiro; Nara, Jun; Schimizu, Tatsuo; Kato, Koichi; Ohno, Takahisa

2018-04-01

Thermally produced SiC/SiO2 stacking in SiC MOSFETs creates defect-related interfacial states in and around the band gap of SiC. These interfacial states can cause serious reliability problems such as threshold voltage shift, as well as efficiency problems such as channel mobility degradation. Carbon species having C=C double bonds have been suggested as one of the origins of these interfacial states. We have theoretically shown that this type of defect produces interfacial states in and around the band gap of SiC, and that they can be removed by saturating the C=C double bond by reactions with H2 and F2. The single-bond products of these reactions are found to be stable at regular device operation temperatures.

Defect Proliferation in Active Nematic Suspensions

NASA Astrophysics Data System (ADS)

Mishra, Prashant; Bowick, Mark J.; Giomi, Luca; Marchetti, M. Cristina

2014-03-01

The rich structure of equilibrium nematic suspensions, with their characteristic disclination defects, is modified when active forces come into play. The uniform nematic state is known to be unstable to splay (extensile) or bend (contractile) deformations above a critical activity. At even higher activity the flow becomes oscillatory and eventually turbulent. Using hydrodynamics, we classify the active flow regimes as functions of activity and order parameter friction for both contractile and extensile systems. The turbulent regime is marked by a non-zero steady state density of mobile defect pairs. The defect density itself scales with an ``active Ericksen number,'' defined as the ratio of the rate at which activity is injected into the system to the relaxation rate of orientational deformations. The work at Syracuse University was supported by the NSF on grant DMR-1004789 and by the Syracuse Soft Matter Program.

Degradation sources in GaAs--AlGaAs double-heterostructure lasers

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

Ito, R.; Nakashima, H.; Kishino, S.

1975-07-01

Several sources of the dark-line defect (DLD) that causes rapid degradation of GaAs-AlGaAs double-heterostructure (DH) lasers have been identified by means of photoluminescence (PL) topography and a laser-induced degradation technique. All the sources that have been identified correspond to crystal defects, among which dark-spot defects (DSD) that are native to as-grown wafers are found to be most important. The growth and propagation processes of DLDs and DSDs have also been investigated. These defects are found to be highly mobile under high-intensity laser pumping. The correlation between the substrate dislocations and the DSDs has been examined by etching and x-ray topography.more » Although most DSDs correspond to etch-pits in epilayers, they are not always correlated with substrate dislocations. (auth)« less

I2 basal stacking fault as a degradation mechanism in reverse gate-biased AlGaN/GaN HEMTs

NASA Astrophysics Data System (ADS)

Lang, A. C.; Hart, J. L.; Wen, J. G.; Miller, D. J.; Meyer, D. J.; Taheri, M. L.

2016-09-01

Here, we present the observation of a bias-induced, degradation-enhancing defect process in plasma-assisted molecular beam epitaxy grown reverse gate-biased AlGaN/GaN high electron mobility transistors (HEMTs), which is compatible with the current theoretical framework of HEMT degradation. Specifically, we utilize both conventional transmission electron microscopy and aberration-corrected transmission electron microscopy to analyze microstructural changes in not only high strained regions in degraded AlGaN/GaN HEMTs but also the extended gate-drain access region. We find a complex defect structure containing an I2 basal stacking fault and offer a potential mechanism for device degradation based on this defect structure. This work supports the reality of multiple failure mechanisms during device operation and identifies a defect potentially involved with device degradation.

Gamma-rays and heat-treatment conversions of point defects in massive rose quartz from the Borborema Pegmatite Province, Northeast Brazil

NASA Astrophysics Data System (ADS)

Guzzo, Pedro L.; Barreto, Sandra B.; Miranda, Milena R.; Gonzaga, Raysa S. G.; Casals, Sandra A.

2017-11-01

An extensive characterization of trace elements and point defects in rose quartz from the Borborema Pegmatite Province (BPP) in the northeast of Brazil was carried out by complementary spectroscopic methods. The aim here was to document the change in the configuration of point defects into the quartz lattice induced by heat-treatment and ionizing radiation. The samples were extracted from the core of two granitic rare element (REL) pegmatites, Taboa (Carnaúba dos Dantas, RN) and Alto do Feio (Pedra Lavrada, PB). The contents of Al, P, Ti, Ni, Fe, Ge, Li, Be, B and K were measured by laser-ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). Polished plates were heat-treated at 500 and 1000 °C and then irradiated with 50 kGy of γ rays. Point defects were characterized by optical (UV-Vis), infrared (IR), and electron paramagnetic resonance (EPR) spectroscopies. In the as-received condition, [AlO4/H]0 centers, Li- and B-dependent OH defects were observed. Point defects related to Al and Li species were significantly affected by heat-treatment at 1000 °C and/or γ radiation. Paramagnetic centers such as [AlO4]0, [GeO4/Li]0, [TiO4/Li]0 and [O2 3-/Li]0 were created by the diffusion of Li+ ions from their original diamagnetic centers related to substitutional Al3+ and OH-species. The smoky color developed after irradiation and the signal intensities of the paramagnetic centers were independent from the original rose color grade. The samples from the Taboa (TB) pegmatite showed the highest concentration of Al, Ti, Fe and Li elements as well as the highest signal intensities for [AlO4]0, [AlO4/H]0, [GeO4/Li]0 and [TiO4/Li]0 centers. Although TB also showed the higher concentration of B element, the intensity of the 3597 cm-1 IR band related to [BO4/H]0 centers was higher for Alto do Feio (AF) samples. This result suggests that the uptake of B into the quartz core of each pegmatite took place through different mechanisms. It was concluded that the change in the point defect configuration was essentially governed by the motion of Li species whose incorporation into the quartz lattice is closely related to Al concentration.

Chondral defect repair after the microfracture procedure: a nonhuman primate model.

PubMed

Gill, Thomas J; McCulloch, Patrick C; Glasson, Sonya S; Blanchet, Tracey; Morris, Elizabeth A

2005-05-01

The extent and time course of chondral defect healing after microfracture in humans are not well described. Although most physicians recommend a period of activity and weightbearing restriction to protect the healing cartilage, there are limited data on which to base decisions regarding the duration of such restrictions. Evaluation of the status of chondral defect repair at different time points after microfracture in a primate model may provide a rationale for postoperative activity recommendations. Descriptive laboratory study. Full-thickness chondral defects created on the femoral condyles and trochlea of 12 cynomolgus macaques were treated with microfracture and evaluated by gross and histologic examination at 6 and 12 weeks. At 6 weeks, there was limited chondral repair and ongoing resorption of subchondral bone. By 12 weeks, the defects were completely filled and showed more mature cartilage and bone repair. In the primate animal model, significant improvements in the extent and quality of cartilage repair were observed from the 6- to 12-week time points after microfracture. The poor status of the defect repair at 6 weeks and the ongoing healing observed from the 6- to 12-week time points may indicate that the repair is vulnerable during this initial postoperative period. Assuming the goal of postoperative weightbearing and activity restriction in patients after microfracture is to protect immature repair tissue, this study lends support to extending such recommendations longer than 6 weeks.

[Mobile geriatric rehabilitation in nursing homes, in short-term care facilities and private homes : Setting-specific analysis of nationwide treatment documentation (Part 2)].

PubMed

Pippel, Kristina; Meinck, M; Lübke, N

2017-06-01

Mobile geriatric rehabilitation can be provided in the setting of nursing homes, short-term care (STC) facilities and exclusively in private homes. This study analyzed the common features and differences of mobile rehabilitation interventions in various settings. Stratified by setting 1,879 anonymized mobile geriatric rehabilitation treatments between 2011 and 2014 from 11 participating institutions were analyzed with respect to patient, process and outcome-related features. Significant differences between the settings nursing home (n = 514, 27 %), STC (n = 167, 9 %) and private homes (n = 1198, 64 %) were evident for mean age (83 years, 83 years and 80 years, respectively), percentage of women (72 %, 64 % and 55 %), degree of dependency on pre-existing care (92 %, 76 % and 64 %), total treatment sessions (TS, 38 TS, 42 TS and 41 TS), treatment duration (54 days, 61 days and 58 days) as well as the Barthel index at the start of rehabilitation (34 points, 39 points and 46 points) and the gain in the Barthel index (15 points, 21 points and 18 points), whereby the gain in the capacity for self-sufficiency was significant in all settings. The setting-specific evaluation of mobile geriatric rehabilitation showed differences for relevant patient, process and outcome-related features. Compared to inpatient rehabilitation mobile rehabilitation in all settings made an above average contribution to the rehabilitation of patients with pre-existing dependency on care. The gains in the capacity for self-sufficiency achieved in all settings support the efficacy of mobile geriatric rehabilitation under the current prerequisites for applicability.

Electronic properties of crystalline Ge1-xSbxTey thin films

NASA Astrophysics Data System (ADS)

Fallica, Roberto; Volpe, Flavio; Longo, Massimo; Wiemer, Claudia; Salicio, Olivier; Abrutis, Adulfas

2012-09-01

Ge1-xSbxTey thin films, grown by metalorganic and hot-wire liquid injection chemical vapor deposition in different crystalline phases, are investigated to determine resistivity, carrier density, and carrier mobility in the 4.2-300 K temperature range. It is found that all these chalcogenides exhibit p-type conduction, high carrier density (>2 . 1020 cm-3), and no carrier freeze-out, regardless of composition. Low-temperature mobility data show that both chemical composition and growth technique affect the defect density and, in turn, the carrier scattering mechanisms. In this regard, charge carrier mobility is analyzed according to semi-empirical scattering models and an interpretation is provided.

Photoluminescence as a tool for characterizing point defects in semiconductors

NASA Astrophysics Data System (ADS)

Reshchikov, Michael

2012-02-01

Photoluminescence is one of the most powerful tools used to study optically-active point defects in semiconductors, especially in wide-bandgap materials. Gallium nitride (GaN) and zinc oxide (ZnO) have attracted considerable attention in the last two decades due to their prospects in optoelectronics applications, including blue and ultraviolet light-emitting devices. However, in spite of many years of extensive studies and a great number of publications on photoluminescence from GaN and ZnO, only a few defect-related luminescence bands are reliably identified. Among them are the Zn-related blue band in GaN, Cu-related green band and Li-related orange band in ZnO. Numerous suggestions for the identification of other luminescence bands, such as the yellow band in GaN, or green and yellow bands in ZnO, do not stand up under scrutiny. In these conditions, it is important to classify the defect-related luminescence bands and find their unique characteristics. In this presentation, we will review the origin of the major luminescence bands in GaN and ZnO. Through simulations of the temperature and excitation intensity dependences of photoluminescence and by employing phenomenological models we are able to obtain important characteristics of point defects such as carrier capture cross-sections for defects, concentrations of defects, and their charge states. These models are also used to find the absolute internal quantum efficiency of photoluminescence and obtain information about nonradiative defects. Results from photoluminescence measurements will be compared with results of the first-principle calculations, as well as with the experimental data obtained by other techniques such as positron annihilation spectroscopy, deep-level transient spectroscopy, and secondary ion mass spectrometry.

The evolution of interaction between grain boundary and irradiation-induced point defects: Symmetric tilt GB in tungsten

NASA Astrophysics Data System (ADS)

Li, Hong; Qin, Yuan; Yang, Yingying; Yao, Man; Wang, Xudong; Xu, Haixuan; Phillpot, Simon R.

2018-03-01

Molecular dynamics method is used and scheme of calculational tests is designed. The atomic evolution view of the interaction between grain boundary (GB) and irradiation-induced point defects is given in six symmetric tilt GB structures of bcc tungsten with the energy of the primary knock-on atom (PKA) EPKA of 3 and 5 keV and the simulated temperature of 300 K. During the collision cascade with GB structure there are synergistic mechanisms to reduce the number of point defects: one is vacancies recombine with interstitials, and another is interstitials diffuse towards the GB with vacancies almost not move. The larger the ratio of the peak defect zone of the cascades overlaps with the GB region, the statistically relative smaller the number of surviving point defects in the grain interior (GI); and when the two almost do not overlap, vacancy-intensive area generally exists nearby GBs, and has a tendency to move toward GB with the increase of EPKA. In contrast, the distribution of interstitials is relatively uniform nearby GBs and is affected by the EPKA far less than the vacancy. The GB has a bias-absorption effect on the interstitials compared with vacancies. It shows that the number of surviving vacancies statistically has increasing trend with the increase of the distance between PKA and GB. While the number of surviving interstitials does not change much, and is less than the number of interstitials in the single crystal at the same conditions. The number of surviving vacancies in the GI is always larger than that of interstitials. The GB local extension after irradiation is observed for which the interstitials absorbed by the GB may be responsible. The designed scheme of calculational tests in the paper is completely applicable to the investigation of the interaction between other types of GBs and irradiation-induced point defects.

Core-level photoabsorption study of defects and metastable bonding configurations in boron nitride

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

Jimenez, I.; Jankowski, A.F.; Terminello, L.J.

1997-04-01

Boron nitride is an interesting material for technological applications and for fundamental solid state physics investigations. It is a compound isoelectronic with carbon and, like carbon can possess sp{sup 2} and sp{sup 3} bonded phases resembling graphite and diamond. BN crystallizes in the sp{sup 2}-bonded hexagonal (h-BN), rhombohedral (r-BN) and turbostratic phases, and in the sp{sup 3}-bonded cubic (c-BN) and wurtzite (w-BN) phases. A new family of materials is obtained when replacing C-C pairs in graphite with isoelectronic B-N pairs, resulting in C{sub 2}BN compounds. Regarding other boron compounds, BN is exceptional in the sense that it has standard two-centermore » bonds with conventional coordination numbers, while other boron compounds (e.g. B{sub 4}C) are based on the boron icosahedron unit with three-center bonds and high coordination numbers. The existence of several allotropic forms and fullerene-like structures for BN suggests a rich variety of local bonding and poses the questions of how this affects the local electronic structure and how the material accommodates the stress induced in the transition regions between different phases. One would expect point defects to play a crucial role in stress accommodation, but these must also have a strong influence in the electronic structure, since the B-N bond is polar and a point defect will thus be a charged structure. The study of point defects in relationship to the electronic structure is of fundamental interest in these materials. Recently, the authors have shown that Near-Edge X-ray Absorption Fine Structure (NEXAFS) is sensitive to point defects in h-BN, and to the formation of metastable phases even in amorphous materials. This is significant since other phase identification techniques like vibrational spectroscopies or x-ray diffraction yield ambiguous results for nanocrystalline and amorphous samples. Serendipitously, NEXAFS also combines chemical selectivity with point defect sensitivity.« less

Point Defects in Oxides: Tailoring Materials Through Defect Engineering

NASA Astrophysics Data System (ADS)

Tuller, Harry L.; Bishop, Sean R.

2011-08-01

Optimization of electrical, optical, mechanical, and other properties of many advanced, functional materials today relies on precise control of point defects. This article illustrates the progress that has been made in elucidating the often complex equilibria exhibited by many materials by examining two recently well-characterized model systems, TlBr for radiation detection and PrxCe1-xO2-δ, of potential interest in solid-oxide fuel cells. The interplay between material composition, electrical conductivity, and mechanical properties (electrochemomechanics) is discussed, and implications in these relations, for example, enhancing electrical properties through large mechanical strains, are described. The impact of space charge and strain fields at interfaces, particularly important in nanostructure materials, is also emphasized. Key experimental techniques useful in characterizing bulk and surface defects are summarized and reviewed.

Structural evolution dynamics in fusion of sumanenes and corannulenes: defects formation and self-healing mechanism

NASA Astrophysics Data System (ADS)

Sorkin, Anastassia; Su, Haibin

2018-06-01

The fusion processes of structures consisting of various combinations between sumanene and corannulene, leading to the formation of graphene nanoribbons (GNRs) under heating are simulated by density-functional-based tight-binding molecular dynamics. Distinct stages are unraveled in the course of GNR formation. Firstly, the carbon fragments coalescence into highly strained framework. Secondly, structural reconstruction invokes breaking most strained bonds to form a GNR structure containing numerous defects. Lastly, defects are remedied by the delicate ‘edge-facilitated self-healing’ process through two synergized edge-related effects: elevated mobility of defects and promoted structure reconstructions owing to the remarkable dynamics associated with edges. Importantly, detailed dynamics in the course of forming GNRs with defects and grain boundaries simulated in this work is valuable to provide better understanding at the atomistic scale of defect formation as well as self-healing in the context of the sp2 carbon network. In particular, edges play important roles in not only generating Stone–Wales (SW), 5-8-5 types of defects, 8-5-5-8 and pentagon–heptagon grain boundaries. In addition, our simulations predict the existence of one novel defect, coined as the Inverse SW defect, which is to be confirmed in future experimental studies. This study of dynamic structural evolution reveals that edges are prone to intrinsic and extrinsic modifications such as atomic-scale defects, structural distortions and inhomogeneity.

Point defects in ZnO: an approach from first principles

PubMed Central

Oba, Fumiyasu; Choi, Minseok; Togo, Atsushi; Tanaka, Isao

2011-01-01

Recent first-principles studies of point defects in ZnO are reviewed with a focus on native defects. Key properties of defects, such as formation energies, donor and acceptor levels, optical transition energies, migration energies and atomic and electronic structure, have been evaluated using various approaches including the local density approximation (LDA) and generalized gradient approximation (GGA) to DFT, LDA+U/GGA+U, hybrid Hartree–Fock density functionals, sX and GW approximation. Results significantly depend on the approximation to exchange correlation, the simulation models for defects and the post-processes to correct shortcomings of the approximation and models. The choice of a proper approach is, therefore, crucial for reliable theoretical predictions. First-principles studies have provided an insight into the energetics and atomic and electronic structures of native point defects and impurities and defect-induced properties of ZnO. Native defects that are relevant to the n-type conductivity and the non-stoichiometry toward the O-deficient side in reduced ZnO have been debated. It is suggested that the O vacancy is responsible for the non-stoichiometry because of its low formation energy under O-poor chemical potential conditions. However, the O vacancy is a very deep donor and cannot be a major source of carrier electrons. The Zn interstitial and anti-site are shallow donors, but these defects are unlikely to form at a high concentration in n-type ZnO under thermal equilibrium. Therefore, the n-type conductivity is attributed to other sources such as residual impurities including H impurities with several atomic configurations, a metastable shallow donor state of the O vacancy, and defect complexes involving the Zn interstitial. Among the native acceptor-type defects, the Zn vacancy is dominant. It is a deep acceptor and cannot produce a high concentration of holes. The O interstitial and anti-site are high in formation energy and/or are electrically inactive and, hence, are unlikely to play essential roles in electrical properties. Overall defect energetics suggests a preference for the native donor-type defects over acceptor-type defects in ZnO. The O vacancy, Zn interstitial and Zn anti-site have very low formation energies when the Fermi level is low. Therefore, these defects are expected to be sources of a strong hole compensation in p-type ZnO. For the n-type doping, the compensation of carrier electrons by the native acceptor-type defects can be mostly suppressed when O-poor chemical potential conditions, i.e. low O partial pressure conditions, are chosen during crystal growth and/or doping. PMID:27877390

Impact of vacancies on electronic properties of black phosphorus probed by STM

NASA Astrophysics Data System (ADS)

Riffle, J. V.; Flynn, C.; St. Laurent, B.; Ayotte, C. A.; Caputo, C. A.; Hollen, S. M.

2018-01-01

Black phosphorus (BP) is receiving significant attention because of its direct 0.4-1.5 eV layer-dependent bandgap and high mobility. Because BP devices rely on exfoliation from bulk crystals, there is a need to understand the native impurities and defects in the source material. In particular, samples are typically p-doped, but the source of the doping is not well understood. Here, we use scanning tunneling microscopy and spectroscopy to compare the atomic defects of BP samples from two commercial sources. Even though the sources produced crystals with an order of magnitude difference in impurity atoms, we observed a similar defect density and level of p-doping. We attribute these defects to phosphorus vacancies and provide evidence that they are the source of p-doping. We also compare these native defects to those induced by air exposure and show that they are distinct and likely more important for the control of electronic structure. These results indicate that impurities in BP play a minor role compared to vacancies, which are prevalent in commercially available materials, and call for better control of vacancy defects.

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.

Phonon-defect scattering and thermal transport in semiconductors: developing guiding principles

NASA Astrophysics Data System (ADS)

Polanco, Carlos; Lindsay, Lucas

First principles calculations of thermal conductivity have shown remarkable agreement with measurements for high-quality crystals. Nevertheless, most materials contain defects that provide significant extrinsic resistance and lower the conductivity from that of a perfect sample. This effect is usually accounted for with simplified analytical models that neglect the atomistic details of the defect and the exact dynamical properties of the system, which limits prediction capabilities. Recently, a method based on Greens functions was developed to calculate the phonon-defect scattering rates from first principles. This method has shown the important role of point defects in determining thermal transport in diamond and boron arsenide, two competitors for the highest bulk thermal conductivity. Here, we study the role of point defects on other relatively high thermal conductivity semiconductors, e.g., BN, BeSe, SiC, GaN and Si. We compare their first principles defect-phonon scattering rates and effects on transport properties with those from simplified models and explore common principles that determine these. Efforts will focus on basic vibrational properties that vary from system to system, such as density of states, interatomic force constants and defect deformation. Research supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division.

47 CFR 95.23 - Mobile station description.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 47 Telecommunication 5 2010-10-01 2010-10-01 false Mobile station description. 95.23 Section 95.23... SERVICES General Mobile Radio Service (GMRS) § 95.23 Mobile station description. (a) A mobile station is... mobile station unit may transmit from any point within or over any areas where radio services are...

Point-Defect Nature of the Ultraviolet Absorption Band in AlN

NASA Astrophysics Data System (ADS)

Alden, D.; Harris, J. S.; Bryan, Z.; Baker, J. N.; Reddy, P.; Mita, S.; Callsen, G.; Hoffmann, A.; Irving, D. L.; Collazo, R.; Sitar, Z.

2018-05-01

We present an approach where point defects and defect complexes are identified using power-dependent photoluminescence excitation spectroscopy, impurity data from SIMS, and density-functional-theory (DFT)-based calculations accounting for the total charge balance in the crystal. Employing the capabilities of such an experimental computational approach, in this work, the ultraviolet-C absorption band at 4.7 eV, as well as the 2.7- and 3.9-eV luminescence bands in AlN single crystals grown via physical vapor transport (PVT) are studied in detail. Photoluminescence excitation spectroscopy measurements demonstrate the relationship between the defect luminescent bands centered at 3.9 and 2.7 eV to the commonly observed absorption band centered at 4.7 eV. Accordingly, the thermodynamic transition energy for the absorption band at 4.7 eV and the luminescence band at 3.9 eV is estimated at 4.2 eV, in agreement with the thermodynamic transition energy for the CN- point defect. Finally, the 2.7-eV PL band is the result of a donor-acceptor pair transition between the VN and CN point defects since nitrogen vacancies are predicted to be present in the crystal in concentrations similar to carbon-employing charge-balance-constrained DFT calculations. Power-dependent photoluminescence measurements reveal the presence of the deep donor state with a thermodynamic transition energy of 5.0 eV, which we hypothesize to be nitrogen vacancies in agreement with predictions based on theory. The charge state, concentration, and type of impurities in the crystal are calculated considering a fixed amount of impurities and using a DFT-based defect solver, which considers their respective formation energies and the total charge balance in the crystal. The presented results show that nitrogen vacancies are the most likely candidate for the deep donor state involved in the donor-acceptor pair transition with peak emission at 2.7 eV for the conditions relevant to PVT growth.

Evolution of displacement cascades in Fe-Cr structures with different [001] tilt grain boundaries

NASA Astrophysics Data System (ADS)

Abu-Shams, M.; Haider, W.; Shabib, I.

2017-06-01

Reduced-activation ferritic/martensitic steels of Cr concentration between 2.25 and 12 wt% are candidate structural materials for next-generation nuclear reactors. In this study, molecular dynamics (MD) simulation is used to generate the displacement cascades in Fe-Cr structures with different Cr concentrations by using different primary knock-on atom (PKA) energies between 2 and 10 keV. A concentration-dependent model potential has been used to describe the interactions between Fe and Cr. Single crystals (SCs) of three different coordinate bases (e.g. [310], [510], and [530]) and bi-crystal (BC) structures with three different [001] tilt grain boundaries (GBs) (e.g. Σ5, Σ13, and Σ17) have been simulated. The Wigner-Seitz cell criterion has been used to identify the produced Frenkel pairs. The results show a marked difference between collisions observed in SCs and those in BC structures. The numbers of vacancies and interstitials are found to be significantly higher in BC structures than those found in SCs. The number of point defects exhibits a power relationship with the PKA energies; however, the Cr concentration does not seem to have any influence on the number of survived point defects. In BC models, a large fraction of the total survived point defects (between 59% and 93%) tends accumulate at the GBs, which seem to trap the generated point defects. The BC structure with Σ17 GB is found to trap more defects than Σ5 and Σ13 GBs. The defect trapping is found to be dictated by the crystallographic parameters of the GBs. For all studied GBs, self-interstitial atoms (SIAs) are easily trapped within the GB region than vacancies. An analysis of defect composition reveals an enrichment of Cr in SIAs, and in BC cases, more than half of the Cr-SIAs are found to be located within the GB region.

Cryogenic Quenching Process for Electronic Part Screening

NASA Technical Reports Server (NTRS)

Sheldon, Douglas J.; Cressler, John

2011-01-01

The use of electronic parts at cryogenic temperatures (less than 100 C) for extreme environments is not well controlled or developed from a product quality and reliability point of view. This is in contrast to the very rigorous and well-documented procedures to qualify electronic parts for mission use in the 55 to 125 C temperature range. A similarly rigorous methodology for screening and evaluating electronic parts needs to be developed so that mission planners can expect the same level of high reliability performance for parts operated at cryogenic temperatures. A formal methodology for screening and qualifying electronic parts at cryogenic temperatures has been proposed. The methodology focuses on the base physics of failure of the devices at cryogenic temperatures. All electronic part reliability is based on the bathtub curve, high amounts of initial failures (infant mortals), a long period of normal use (random failures), and then an increasing number of failures (end of life). Unique to this is the development of custom screening procedures to eliminate early failures at cold temperatures. The ability to screen out defects will specifically impact reliability at cold temperatures. Cryogenic reliability is limited by electron trap creation in the oxide and defect sites at conductor interfaces. Non-uniform conduction processes due to process marginalities will be magnified at cryogenic temperatures. Carrier mobilities change by orders of magnitude at cryogenic temperatures, significantly enhancing the effects of electric field. Marginal contacts, impurities in oxides, and defects in conductor/conductor interfaces can all be magnified at low temperatures. The novelty is the use of an ultra-low temperature, short-duration quenching process for defect screening. The quenching process is designed to identify those defects that will precisely (and negatively) affect long-term, cryogenic part operation. This quenching process occurs at a temperature that is at least 25 C colder than the coldest expected operating temperature. This quenching process is the opposite of the standard burn-in procedure. Normal burn-in raises the temperature (and voltage) to activate quickly any possible manufacturing defects remaining in the device that were not already rejected at a functional test step. The proposed inverse burn-in or quenching process is custom-tailored to the electronic device being used. The doping profiles, materials, minimum dimensions, interfaces, and thermal expansion coefficients are all taken into account in determining the ramp rate, dwell time, and temperature.

Point Defects and Grain Boundaries in Rotationally Commensurate MoS 2 on Epitaxial Graphene

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

Liu, Xiaolong; Balla, Itamar; Bergeron, Hadallia

2016-03-28

With reduced degrees of freedom, structural defects are expected to play a greater role in two-dimensional materials in comparison to their bulk counterparts. In particular, mechanical strength, electronic properties, and chemical reactivity are strongly affected by crystal imperfections in the atomically thin limit. Here, ultrahigh vacuum (UHV) scanning tunneling microscopy (STM) and spectroscopy (STS) are employed to interrogate point and line defects in monolayer MoS2 grown on epitaxial graphene (EG) at the atomic scale. Five types of point defects are observed with the majority species showing apparent structures that are consistent with vacancy and interstitial models. The total defect densitymore » is observed to be lower than MoS2 grown on other substrates and is likely attributed to the van der Waals epitaxy of MoS2 on EG. Grain boundaries (GBs) with 30° and 60° tilt angles resulting from the rotational commensurability of MoS2 on EG are more easily resolved by STM than atomic force microscopy at similar scales due to the enhanced contrast from their distinct electronic states. For example, band gap reduction to ~0.8 and ~0.5 eV is observed with STS for 30° and 60° GBs, respectively. In addition, atomic resolution STM images of these GBs are found to agree well with proposed structure models. This work offers quantitative insight into the structure and properties of common defects in MoS2 and suggests pathways for tailoring the performance of MoS2/graphene heterostructures via defect engineering.« less

Thermal and Electronic Transport in Graphene-Based Nanostructures and Applications in Electrical Sensors

NASA Astrophysics Data System (ADS)

Ramnani, Pankaj Ghanshyam

It is a general consensus that silicon metal-oxide-semiconductor FET (MOSFET) is approaching its scaling limits due to issues including high power dissipation, short channel effects and degraded electrostatics. In recent years, a significant amount of research has been directed towards exploring novel materials like graphene and other two-dimensional atomic crystals to replace Si. Graphene is an ideal candidate owing to its exceptional properties including high carrier mobility (exceeding 15,000 cm2 V -1 s-1), high charge carrier concentration ( 1012 cm -2), low contact resistance due to tunable fermi level, excellent thermal conductivity ( 5000W m-1 K-1), optical transparency ( 97.7%) and flexibility. Despite all these intriguing properties, the absence of a bandgap in graphene has limited its potential applications owing to large off-state currents and low Ion/Ioff ratios observed in graphene-based field effect transistors (FETs). Additionally, most of these experimental studies are conducted using pristine graphene isolated by mechanical exfoliation of graphite, which is not a practical approach for large scale synthesis of graphene. In this dissertation, a scalable method of synthesizing high quality single-layer and bilayer graphene was developed using ambient pressure chemical vapor deposition (AP-CVD). The crystalline nature and physical properties were characterized using electron microscopy and spectroscopic techniques. We investigated the effects of point defects--typically introduced during material characterization and device fabrication steps--on thermal transport in CVD grown single-layer graphene. Furthermore, we investigated methods to engineer a bandgap in graphene by nanopatterning graphene into pseudo one-dimensional nanostructures called graphene nanoribbons (GNRs) using two different top-down approaches. The edge defects in GNRs, which limit carrier mobility and induce p-doping, were characterized using Raman spectroscopy and x-ray photoelectron spectroscopy (XPS), and thermal treatments to repair these defects were explored. Finally, the applications of these graphene-based nanostructures as FET-based electrical nano chemical/bio-sensors were explored. The GNR-FET device showed a significant increase in sensitivity for detection of NO 2 as compared to its graphene counterpart. Analogous to GNRs, single-walled carbon nanotubes (SWNTs) based chemiresistive sensors were also developed for detection of microRNA, a cancer biomarker, and detection of mercury ions in saliva samples.

Simple intrinsic defects in GaP and InP

NASA Astrophysics Data System (ADS)

Schultz, Peter A.

2012-02-01

To faithfully simulate evolution of defect chemistry and electrical response in irradiated semiconductor devices requires accurate defect reaction energies and energy levels. In III-Vs, good data is scarce, theory hampered by band gap and supercell problems. I apply density functional theory (DFT) to intrinsic defects in GaP and InP, predicting stable charge states, ground state configurations, defect energy levels, and identifying mobile species. The SeqQuest calculations incorporate rigorous charge boundary conditions removing supercell artifacts, demonstrated converged to the infinite limit. Computed defect levels are not limited by a band gap problem, despite Kohn-Sham gaps much smaller than the experimental gap. As in GaAs, [P.A. Schultz and O.A. von Lilienfeld, Modeling Simul. Mater. Sci. Eng. 17, 084007 (2009)], defects in GaP and InP exhibit great complexity---multitudes of charge states, bistabilities, and negative U systems---but show similarities to each other (and to GaAs). Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Effect of time-of-flight and point spread function modeling on detectability of myocardial defects in PET

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

Schaefferkoetter, Joshua, E-mail: dnrjds@nus.edu.sg; Ouyang, Jinsong; Rakvongthai, Yothin

2014-06-15

Purpose: A study was designed to investigate the impact of time-of-flight (TOF) and point spread function (PSF) modeling on the detectability of myocardial defects. Methods: Clinical FDG-PET data were used to generate populations of defect-present and defect-absent images. Defects were incorporated at three contrast levels, and images were reconstructed by ordered subset expectation maximization (OSEM) iterative methods including ordinary Poisson, alone and with PSF, TOF, and PSF+TOF. Channelized Hotelling observer signal-to-noise ratio (SNR) was the surrogate for human observer performance. Results: For three iterations, 12 subsets, and no postreconstruction smoothing, TOF improved overall defect detection SNR by 8.6% as comparedmore » to its non-TOF counterpart for all the defect contrasts. Due to the slow convergence of PSF reconstruction, PSF yielded 4.4% less SNR than non-PSF. For reconstruction parameters (iteration number and postreconstruction smoothing kernel size) optimizing observer SNR, PSF showed larger improvement for faint defects. The combination of TOF and PSF improved mean detection SNR as compared to non-TOF and non-PSF counterparts by 3.0% and 3.2%, respectively. Conclusions: For typical reconstruction protocol used in clinical practice, i.e., less than five iterations, TOF improved defect detectability. In contrast, PSF generally yielded less detectability. For large number of iterations, TOF+PSF yields the best observer performance.« less

More on boundary holographic Witten diagrams

NASA Astrophysics Data System (ADS)

Sato, Yoshiki

2018-01-01

In this paper we discuss geodesic Witten diagrams in general holographic conformal field theories with boundary or defect. In boundary or defect conformal field theory, two-point functions are nontrivial and can be decomposed into conformal blocks in two distinct ways; ambient channel decomposition and boundary channel decomposition. In our previous work [A. Karch and Y. Sato, J. High Energy Phys. 09 (2017) 121., 10.1007/JHEP09(2017)121] we only consider two-point functions of same operators. We generalize our previous work to a situation where operators in two-point functions are different. We obtain two distinct decomposition for two-point functions of different operators.

Mitochondrial transport in neurons: impact on synaptic homeostasis and neurodegeneration

PubMed Central

Sheng, Zu-Hang; Cai, Qian

2016-01-01

Mitochondria have a number of essential roles in neuronal function. Their complex mobility patterns within neurons are characterized by frequent changes in direction. Mobile mitochondria can become stationary or pause in regions that have a high metabolic demand and can move again rapidly in response to physiological changes. Defects in mitochondrial transport are implicated in the pathogenesis of several major neurological disorders. Research into the mechanisms that regulate mitochondrial transport is thus an important emerging frontier. PMID:22218207

Chemical Defects, Electronic Structure, and Transport in N-type and P-type Organic Semiconductors: First Principles Theory

DTIC Science & Technology

2012-11-29

of localized states extending into the gap. We also introduced a simple model allowing estimates of the upper limit of the intra-grain mobility in...well as to pentacene , and DATT. This research will be described below. In addition to our work on the electronic structure and charge mobility, we have...stacking distance gives rise to a tail of localized states which act as traps for electrons and holes. We introduced a simple effective Hamiltonian model

Exceptional gettering response of epitaxially grown kerfless silicon

DOE PAGES

Powell, D. M.; Markevich, V. P.; Hofstetter, J.; ...

2016-02-08

The bulk minority-carrier lifetime in p- and n-type kerfless epitaxial (epi) crystalline silicon wafers is shown to increase >500 during phosphorus gettering. We employ kinetic defect simulations and microstructural characterization techniques to elucidate the root cause of this exceptional gettering response. Simulations and deep-level transient spectroscopy (DLTS) indicate that a high concentra- tion of point defects (likely Pt) is “locked in” during fast (60 C/min) cooling during epi wafer growth. The fine dispersion of moderately fast-diffusing recombination-active point defects limits as-grown lifetime but can also be removed during gettering, confirmed by DLTS measurements. Synchrotron-based X-ray fluorescence microscopy indicates metal agglomeratesmore » at structural defects, yet the structural defect density is sufficiently low to enable high lifetimes. Consequently, after phosphorus diffusion gettering, epi silicon exhibits a higher lifetime than materials with similar bulk impurity contents but higher densities of structural defects, including multicrystalline ingot and ribbon silicon materials. As a result, device simulations suggest a solar-cell efficiency potential of this material >23%.« less

First-principles investigation of the structural characteristics of LiMO2 cathode materials for lithium secondary batteries

NASA Astrophysics Data System (ADS)

Kim, Yongseon

2015-11-01

The structural features related to the defects of LiMO2 (M = Ni, Co, Mn) cathode materials for lithium secondary batteries were investigated by a simulation of phase diagrams based on first-principle calculations. Crystal models with various types of point defects were designed and dealt with as independent phases, which enabled an examination of the thermodynamic stability of the defects. A perfect phase without defects appeared to be the most stable for LiCoO2, whereas the formation of Li vacancies, O vacancies, and antisites between Li and Ni was thermodynamically unavoidable for LiNiO2. The introduction of both Co and Mn in LiNiO2 was effective in reducing the formation of point defects, but increasing the relative amount of Mn was undesirable because the antisite defect remained stable with Mn doping. The simulation showed good agreement with the experimental data and previous reports. Therefore, the method and the results of this study are expected to be useful for examining the synthesis, structure and related properties of layer-structured cathode materials.

Lattice constant in nonstoichiometric uranium dioxide from first principles

NASA Astrophysics Data System (ADS)

Bruneval, Fabien; Freyss, Michel; Crocombette, Jean-Paul

2018-02-01

Nonstoichiometric uranium dioxide experiences a shrinkage of its lattice constant with increasing oxygen content, in both the hypostoichiometric and the hyperstoichiometric regimes. Based on first-principles calculations within the density functional theory (DFT)+U approximation, we have developed a point defect model that accounts for the volume of relaxation of the most significant intrinsic defects of UO2. Our point defect model takes special care of the treatment of the charged defects in the equilibration of the model and in the determination of reliable defect volumes of formation. In the hypostoichiometric regime, the oxygen vacancies are dominant and explain the lattice constant variation with their surprisingly positive volume of relaxation. In the hyperstoichiometric regime, the uranium vacancies are predicted to be the dominating defect,in contradiction with experimental observations. However, disregarding uranium vacancies allows us to recover a good match for the lattice-constant variation as a function of stoichiometry. This can be considered a clue that the uranium vacancies are indeed absent in UO2 +x, possibly due to the very slow diffusion of uranium.

Raman spectroscopic studies of defect structures and phase transition in hyper-stoichiometric UO(2+x).

PubMed

He, Heming; Shoesmith, David

2010-07-28

A method to determine the defect structures in hyper-stoichiometric UO(2+x) using a combination of XRD and Raman spectroscopy has been developed. A sequence of phase transitions, from cubic to tetragonal symmetry, occurs with increasing degree of non-stoichiometry. This sequence proceeds from a cubic phase through an intermediate t''-type tetragonal (axial ratio c/a = 1) phase to a final t-type tetragonal (c/a not = 1) phase. Four distinct structural defect regions can be identified in the stoichiometry range, UO(2) to U(3)O(7): (i) a random point defect structure (x (in UO(2+x)) < or = 0.05); (ii) a non-stoichiometry region (0.05 < or = x < or = 0.15) over which point defects are gradually eliminated and replaced by the Willis 2:2:2 cluster; (iii) a mixture of Willis and cuboctahedral clusters (0.15 < or = x < or = 0.23); (iv) the cuboctahedral cluster (x > or = 0.23). The geometry and steric arrangement of these defects is primarily determined by the concentration of the excess-oxygen interstitials.

Impact of defects on the electrical transport, optical properties and failure mechanisms of GaN nanowires.

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

Armstrong, Andrew M.; Aubry, Sylvie; Shaner, Eric Arthur

2010-09-01

We present the results of a three year LDRD project that focused on understanding the impact of defects on the electrical, optical and thermal properties of GaN-based nanowires (NWs). We describe the development and application of a host of experimental techniques to quantify and understand the physics of defects and thermal transport in GaN NWs. We also present the development of analytical models and computational studies of thermal conductivity in GaN NWs. Finally, we present an atomistic model for GaN NW electrical breakdown supported with experimental evidence. GaN-based nanowires are attractive for applications requiring compact, high-current density devices such asmore » ultraviolet laser arrays. Understanding GaN nanowire failure at high-current density is crucial to developing nanowire (NW) devices. Nanowire device failure is likely more complex than thin film due to the prominence of surface effects and enhanced interaction among point defects. Understanding the impact of surfaces and point defects on nanowire thermal and electrical transport is the first step toward rational control and mitigation of device failure mechanisms. However, investigating defects in GaN NWs is extremely challenging because conventional defect spectroscopy techniques are unsuitable for wide-bandgap nanostructures. To understand NW breakdown, the influence of pre-existing and emergent defects during high current stress on NW properties will be investigated. Acute sensitivity of NW thermal conductivity to point-defect density is expected due to the lack of threading dislocation (TD) gettering sites, and enhanced phonon-surface scattering further inhibits thermal transport. Excess defect creation during Joule heating could further degrade thermal conductivity, producing a viscous cycle culminating in catastrophic breakdown. To investigate these issues, a unique combination of electron microscopy, scanning luminescence and photoconductivity implemented at the nanoscale will be used in concert with sophisticated molecular-dynamics calculations of surface and defect-mediated NW thermal transport. This proposal seeks to elucidate long standing material science questions for GaN while addressing issues critical to realizing reliable GaN NW devices.« less

Solid State Lighting Program (Falcon)

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

Meeks, Steven

2012-06-30

Over the past two years, KLA-Tencor and partners successfully developed and deployed software and hardware tools that increase product yield for High Brightness LED (HBLED) manufacturing and reduce product development and factory ramp times. This report summarizes our development effort and details of how the results of the Solid State Light Program (Falcon) have started to help HBLED manufacturers optimize process control by enabling them to flag and correct identified killer defect conditions at any point of origin in the process manufacturing flow. This constitutes a quantum leap in yield management over current practice. Current practice consists of die dispositioningmore » which is just rejection of bad die at end of process based upon probe tests, loosely assisted by optical in-line monitoring for gross process deficiencies. For the first time, and as a result of our Solid State Lighting Program, our LED manufacturing partners have obtained the software and hardware tools that optimize individual process steps to control killer defects at the point in the processes where they originate. Products developed during our two year program enable optimized inspection strategies for many product lines to minimize cost and maximize yield. The Solid State Lighting Program was structured in three phases: i) the development of advanced imaging modes that achieve clear separation between LED defect types, improves signal to noise and scan rates, and minimizes nuisance defects for both front end and back end inspection tools, ii) the creation of defect source analysis (DSA) software that connect the defect maps from back-end and front-end HBLED manufacturing tools to permit the automatic overlay and traceability of defects between tools and process steps, suppress nuisance defects, and identify the origin of killer defects with process step and conditions, and iii) working with partners (Philips Lumileds) on product wafers, obtain a detailed statistical correlation of automated defect and DSA map overlay to failed die identified using end product probe test results. Results from our two year effort have led to “automated end-to-end defect detection” with full defect traceability and the ability to unambiguously correlate device killer defects to optically detected features and their point of origin within the process. Success of the program can be measured by yield improvements at our partner’s facilities and new product orders.« less

Novel Effects of Compressed CO 2 Molecules on Structural Ordering and Charge Transport in Conjugated Poly(3-hexylthiophene) Thin Films

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

Jiang, Naisheng; Sendogdular, Levent; Sen, Mani

We report the effects of compressed CO 2 molecules as a novel plasticization agent for poly(3- hexylthiophene) (P3HT) conjugated polymer thin films. In-situ neutron reflectivity experiment demonstrated the excess sorption of CO 2 molecules in the P3HT thin films (about 40 nm in thickness) at low pressure (P = 8.2 MPa) under the isothermal condition of T = 36 °C, which is far below the polymer bulk melting point. The results evidenced that these CO 2 molecules accelerated the crystallization process of the polymer on the basis of ex-situ grazing incidence Xray diffraction measurements after drying the films via rapidmore » depressurization to atmospheric pressure: not only the out-of-plane lamellar ordering of the backbone chains but also intra-plane π-π stacking of the side chains were significantly improved, when compared to those in the control P3HT films subjected to conventional thermal annealing (at T = 170 °C). Electrical measurements elucidated that the CO 2-annealed P3HT thin films exhibited enhanced charge carrier mobility along with decreased background charge carrier concentration and trap density compared to those in the thermally annealed counterpart. This is attributed to the CO 2-induced increase in polymer chain mobility that can drive the detrapping of molecular oxygen and healing of conformational defects in the polymer thin film. Given the universality of the excess sorption of CO 2regardless of the type of polymers, the present findings suggest that the CO 2 annealing near the critical point can be useful as a robust processing strategy for improving structural and electrical characteristics of other semiconducting conjugated polymers and related systems such as polymer: fullerene bulk heterojunction films.tion films.« less

Novel Effects of Compressed CO 2 Molecules on Structural Ordering and Charge Transport in Conjugated Poly(3-hexylthiophene) Thin Films

DOE PAGES

Jiang, Naisheng; Sendogdular, Levent; Sen, Mani; ...

2016-10-06

We report the effects of compressed CO 2 molecules as a novel plasticization agent for poly(3- hexylthiophene) (P3HT) conjugated polymer thin films. In-situ neutron reflectivity experiment demonstrated the excess sorption of CO 2 molecules in the P3HT thin films (about 40 nm in thickness) at low pressure (P = 8.2 MPa) under the isothermal condition of T = 36 °C, which is far below the polymer bulk melting point. The results evidenced that these CO 2 molecules accelerated the crystallization process of the polymer on the basis of ex-situ grazing incidence Xray diffraction measurements after drying the films via rapidmore » depressurization to atmospheric pressure: not only the out-of-plane lamellar ordering of the backbone chains but also intra-plane π-π stacking of the side chains were significantly improved, when compared to those in the control P3HT films subjected to conventional thermal annealing (at T = 170 °C). Electrical measurements elucidated that the CO 2-annealed P3HT thin films exhibited enhanced charge carrier mobility along with decreased background charge carrier concentration and trap density compared to those in the thermally annealed counterpart. This is attributed to the CO 2-induced increase in polymer chain mobility that can drive the detrapping of molecular oxygen and healing of conformational defects in the polymer thin film. Given the universality of the excess sorption of CO 2regardless of the type of polymers, the present findings suggest that the CO 2 annealing near the critical point can be useful as a robust processing strategy for improving structural and electrical characteristics of other semiconducting conjugated polymers and related systems such as polymer: fullerene bulk heterojunction films.tion films.« less

40 CFR 85.1901 - Applicability.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Applicability. 85.1901 Section 85.1901 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements § 85.1901 Applicability. The...

Pinning of magnetic skyrmions in a monolayer Co film on Pt(111): Theoretical characterization and exemplified utilization

NASA Astrophysics Data System (ADS)

Stosic, Dusan; Ludermir, Teresa B.; Milošević, Milorad V.

2017-12-01

Magnetic skyrmions are nanoscale windings of the spin structure that can be observed in chiral magnets and hold promise for potential applications in storing or processing information. Pinning due to ever-present material imperfections crucially affects the mobility of skyrmions. Therefore, a proper understanding of how magnetic skyrmions pin to defects is necessary for the development and performance of spintronic devices. Here we present a fundamental analysis on the interactions of single skyrmions with atomic defects of distinctly different origins, in a Co monolayer on Pt, based on minimum-energy paths considerations and atomic-spin simulations. We first report the preferred pinning loci of the skyrmion as a function of its nominal size and the type of defect being considered, to further reveal the manipulation and "breathing" of skyrmion core in the vicinity of a defect. We also show the behavior of skyrmions in the presence of an extended defect of particular geometry, that can lead to ratcheted skyrmion motion or a facilitated guidance on a defect "trail." We close the study with reflections on the expected thermal stability of the skyrmion against collapse on itself for a given nature of the defect, and discuss the applications where control of skyrmions by defects is of particular interest.

Interrelation of transport properties, defect structure and spin state of Ni3+ in La1.2Sr0.8Ni0.9Fe0.1O4+δ

NASA Astrophysics Data System (ADS)

Gilev, A. R.; Kiselev, E. A.; Zakharov, D. M.; Cherepanov, V. A.

2017-10-01

The total conductivity, Seebeck coefficient and oxygen non-stoichiometry for La1.2Sr0.8Ni0.9Fe0.1O4+δ have been measured vs temperature and oxygen partial pressure P(O2). The measurements were carried out at 800, 850, 900 and 950 °C within the P(O2) range of 10-5-0.21 atm. La1.2Sr0.8Ni0.9Fe0.1O4+δ was shown to be oxygen deficient in all temperature and P(O2) ranges studied. The calculated values of the partial molar enthalpy of oxygen depend very slightly on oxygen content (δ), indicating that La1.2Sr0.8Ni0.9Fe0.1O4+δ with the oxygen deficiency can be considered an ideal solution. The model of point defect equilibria in La1.2Sr0.8Ni0.9Fe0.1O4+δ has been proposed and fitted to experimental dependencies. Subsequent joint analysis of the defect structure and transport properties revealed that electron holes can coexist in both localized and quasi-delocalized states in the oxide: the former corresponded to high-spin state Ni3+ and the latter - to low-spin state Ni3+. The mobilities of localized electron holes were shown to be significantly lower in comparison to quasi-delocalized ones. The behavior of localized electron holes was explained in terms of a small polaron conduction mechanism; in contrast, quasi-delocalized electron holes were described in terms of a band conduction approach. The small polaron conduction mechanism was shown to be predominant in the Sr- and Fe-co-doped lanthanum nickelate.

Effect of symmetrical and asymmetrical tilt grain boundaries on radiation-induced defects in zirconium

NASA Astrophysics Data System (ADS)

Singh, Divya; Parashar, Avinash

2018-07-01

In this article, molecular-dynamics-based simulations were used to study the effect of grain boundaries (GBs) on the formation and spatial distribution of radiation-induced point defects. In order to perform this study, two sets of symmetrical and asymmetrical tilt grain boundaries were constructed along [0 0 0 1] and [0   ‑1 1 0] as the tilt axis, respectively. Vacancy, interstitial and Frenkel pair formation energies were estimated as a function of the distance from the GB core for both symmetrical as well as asymmetrical tilt GBs. The trend obtained between GB energies and point defect formation energies helps explain the biased absorption of interstitials over vacancies in most cases, as well as the equal absorption of both kinds of point defects in a few of them. It has already been reported from the experimental work that [0 0 0 1] GB structures closely resemble the polycrystalline texture of hcp materials, which motivates us to study the effect of irradiation on these GBs.

Role of point defects and HfO2/TiN interface stoichiometry on effective work function modulation in ultra-scaled complementary metal-oxide-semiconductor devices

NASA Astrophysics Data System (ADS)

Pandey, R. K.; Sathiyanarayanan, Rajesh; Kwon, Unoh; Narayanan, Vijay; Murali, K. V. R. M.

2013-07-01

We investigate the physical properties of a portion of the gate stack of an ultra-scaled complementary metal-oxide-semiconductor (CMOS) device. The effects of point defects, such as oxygen vacancy, oxygen, and aluminum interstitials at the HfO2/TiN interface, on the effective work function of TiN are explored using density functional theory. We compute the diffusion barriers of such point defects in the bulk TiN and across the HfO2/TiN interface. Diffusion of these point defects across the HfO2/TiN interface occurs during the device integration process. This results in variation of the effective work function and hence in the threshold voltage variation in the devices. Further, we simulate the effects of varying the HfO2/TiN interface stoichiometry on the effective work function modulation in these extremely-scaled CMOS devices. Our results show that the interface rich in nitrogen gives higher effective work function, whereas the interface rich in titanium gives lower effective work function, compared to a stoichiometric HfO2/TiN interface. This theoretical prediction is confirmed by the experiment, demonstrating over 700 meV modulation in the effective work function.

Nanoscale charge distribution and energy band modification in defect-patterned graphene.

PubMed

Wang, Shengnan; Wang, Rui; Wang, Xiaowei; Zhang, Dongdong; Qiu, Xiaohui

2012-04-21

Defects were introduced precisely to exfoliated graphene (G) sheets on a SiO(2)/n(+) Si substrate to modulate the local energy band structure and the electron pathway using solution-phase oxidation followed by thermal reduction. The resulting nanoscale charge distribution and band gap modification were investigated by electrostatic force microscopy and spectroscopy. A transition phase with coexisting submicron-sized metallic and insulating regions in the moderately oxidized monolayer graphene were visualized and measured directly. It was determined that the delocalization of electrons/holes in a graphene "island" is confined by the surrounding defective C-O matrix, which acts as an energy barrier for mobile charge carriers. In contrast to the irreversible structural variations caused by the oxidation process, the electrical properties of graphene can be restored by annealing. The defect-patterned graphene and graphene oxide heterojunctions were further characterized by electrical transport measurement.

Effects of Electron Beam Irradiation and Thiol Molecule Treatment on the Properties of MoS2 Field Effect Transistors

NASA Astrophysics Data System (ADS)

Choi, Barbara Yuri; Cho, Kyungjune; Pak, Jinsu; Kim, Tae-Young; Kim, Jae-Keun; Shin, Jiwon; Seo, Junseok; Chung, Seungjun; Lee, Takhee

2018-05-01

We investigated the effects of the structural defects intentionally created by electron-beam irradiation with an energy of 30 keV on the electrical properties of monolayer MoS2 field effect transistors (FETs). We observed that the created defects by electron beam irradiation on the MoS2 surface working as trap sites deteriorated the carrier mobility and carrier concentration with increasing the subthreshold swing value and shifting the threshold voltage in MoS2 FETs. The electrical properties of electron-beam irradiated MoS2 FETs were slightly improved by treating the devices with thiol-terminated molecules which presumably passivated the structural defects of MoS2. The results of this study may enhance the understanding of the electrical properties of MoS2 FETs in terms of creating and passivating defect sites.

Kibble Zurek mechanism of topological defect formation in quantum field theory with matrix product states

NASA Astrophysics Data System (ADS)

Gillman, Edward; Rajantie, Arttu

2018-05-01

The Kibble Zurek mechanism in a relativistic ϕ4 scalar field theory in D =(1 +1 ) is studied using uniform matrix product states. The equal time two point function in momentum space G2(k ) is approximated as the system is driven through a quantum phase transition at a variety of different quench rates τQ. We focus on looking for signatures of topological defect formation in the system and demonstrate the consistency of the picture that the two point function G2(k ) displays two characteristic scales, the defect density n and the kink width dK. Consequently, G2(k ) provides a clear signature for the formation of defects and a well defined measure of the defect density in the system. These results provide a benchmark for the use of tensor networks as powerful nonperturbative nonequilibrium methods for relativistic quantum field theory, providing a promising technique for the future study of high energy physics and cosmology.

Defect-selective dry etching for quick and easy probing of hexagonal boron nitride domains.

PubMed

Wu, Qinke; Lee, Joohyun; Park, Sangwoo; Woo, Hwi Je; Lee, Sungjoo; Song, Young Jae

2018-03-23

In this study, we demonstrate a new method to selectively etch the point defects or the boundaries of as-grown hexagonal boron nitride (hBN) films and flakes in situ on copper substrates using hydrogen and argon gases. The initial quality of the chemical vapor deposition-grown hBN films and flakes was confirmed by UV-vis absorption spectroscopy, atomic force microscopy, and transmission electron microscopy. Different gas flow ratios of Ar/H 2 were then employed to etch the same quality of samples and it was found that etching with hydrogen starts from the point defects and grows epitaxially, which helps in confirming crystalline orientations. However, etching with argon is sensitive to line defects (boundaries) and helps in visualizing the domain size. Finally, based on this defect-selective dry etching technique, it could be visualized that the domains of a polycrystalline hBN monolayer merged together with many parts, even with those that grew from a single nucleation seed.

Defect-selective dry etching for quick and easy probing of hexagonal boron nitride domains

NASA Astrophysics Data System (ADS)

Wu, Qinke; Lee, Joohyun; Park, Sangwoo; Woo, Hwi Je; Lee, Sungjoo; Song, Young Jae

2018-03-01

In this study, we demonstrate a new method to selectively etch the point defects or the boundaries of as-grown hexagonal boron nitride (hBN) films and flakes in situ on copper substrates using hydrogen and argon gases. The initial quality of the chemical vapor deposition-grown hBN films and flakes was confirmed by UV-vis absorption spectroscopy, atomic force microscopy, and transmission electron microscopy. Different gas flow ratios of Ar/H2 were then employed to etch the same quality of samples and it was found that etching with hydrogen starts from the point defects and grows epitaxially, which helps in confirming crystalline orientations. However, etching with argon is sensitive to line defects (boundaries) and helps in visualizing the domain size. Finally, based on this defect-selective dry etching technique, it could be visualized that the domains of a polycrystalline hBN monolayer merged together with many parts, even with those that grew from a single nucleation seed.

Stimulated Mid-Infrared Luminescence Experiment: Contribution to the Study of Pre-Earthquake Phenomena and UV Absorption by Interstellar Dust

NASA Technical Reports Server (NTRS)

Freund, Friedemann; Freund, Minoru M.; Tsay, Si-Chee; Ouzounov, Dimitar

2004-01-01

The work performed under this proposal is based on the experimentally supported observation - or inference - that a small fraction of the oxygen anions in silicate minerals in igneous and high-grade metamorphic rocks on Earth may not be in the usual 2- oxidation state, O(sup 2-), but in a higher oxidation state, as O(sup -). If this is true, the same would likely apply to the fine dust that fills the diffuse interstellar medium. An (sup -) in a matrix of O(sup 2-) represents a defect electron in the valence band, also known as positive hole or p-hole for short. When two O(sup -) combine, they undergo spin-pairing and form a positive hole pair, PHP. Chemically speaking a PHP is a peroxy bond. In an oxide matrix a peroxy bond takes the form of a peroxy anion, O2(sup 2-). In a silicate matrix it probably exists in the form of peroxy links between adjacent [SiO4] tetrahedral, O3Si00\\SiO3. From a physics perspective a PHP is an electrically inactive point defect, which contains dormant electronic charge carriers. When the peroxy bond breaks, p-hole charge carriers are released. These p-holes are diffusively mobile and spread through the O 2p-dominated valence band of the otherwise insulating mineral matrix.

Single-Walled Carbon Nanotube Dominated Micron-Wide Stripe Patterned-Based Ferroelectric Field-Effect Transistors with HfO2 Defect Control Layer

NASA Astrophysics Data System (ADS)

Tan, Qiuhong; Wang, Qianjin; Liu, Yingkai; Yan, Hailong; Cai, Wude; Yang, Zhikun

2018-04-01

Ferroelectric field-effect transistors (FeFETs) with single-walled carbon nanotube (SWCNT) dominated micron-wide stripe patterned as channel, (Bi,Nd)4Ti3O12 films as insulator, and HfO2 films as defect control layer were developed and fabricated. The prepared SWCNT-FeFETs possess excellent properties such as large channel conductance, high on/off current ratio, high channel carrier mobility, great fatigue endurance performance, and data retention. Despite its thin capacitance equivalent thickness, the gate insulator with HfO2 defect control layer shows a low leakage current density of 3.1 × 10-9 A/cm2 at a gate voltage of - 3 V.

Impurity-defect complexes in non-implanted aluminum

NASA Astrophysics Data System (ADS)

Pedersen, F. T.; Grann, H.; Weyer, G.

1986-02-01

The formation of impurity-defect complexes in ion-implanted aluminum has been studied in the temperature interval 100 400K. Radioactive119In isotopes have been implanted. Mössbauer spectra have been measured for the 24 keV γ-radiation emitted after the decay to119Sn. The spectra could be analysed satisfactorily with two lines, one of which is known to be due to substitutional Sn. A second line, which has a higher isomer shift and lower Debye temperature, is tentatively assigned to vacancy-associated Sn, formed by trapping of thermally mobile (multi-)vacancies. Comparison to similar DPAC experiments suggests that cubic Sn-V4 complexes are formed. Some indication (˜15%) for an athermal formation of impurity defects below 175K is obtained.

Single-Walled Carbon Nanotube Dominated Micron-Wide Stripe Patterned-Based Ferroelectric Field-Effect Transistors with HfO2 Defect Control Layer.

PubMed

Tan, Qiuhong; Wang, Qianjin; Liu, Yingkai; Yan, Hailong; Cai, Wude; Yang, Zhikun

2018-04-27

Ferroelectric field-effect transistors (FeFETs) with single-walled carbon nanotube (SWCNT) dominated micron-wide stripe patterned as channel, (Bi,Nd) 4 Ti 3 O 12 films as insulator, and HfO 2 films as defect control layer were developed and fabricated. The prepared SWCNT-FeFETs possess excellent properties such as large channel conductance, high on/off current ratio, high channel carrier mobility, great fatigue endurance performance, and data retention. Despite its thin capacitance equivalent thickness, the gate insulator with HfO 2 defect control layer shows a low leakage current density of 3.1 × 10 -9  A/cm 2 at a gate voltage of - 3 V.

Minority carrier diffusion and defects in InGaAsN grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Kurtz, Steven R.; Klem, J. F.; Allerman, A. A.; Sieg, R. M.; Seager, C. H.; Jones, E. D.

2002-02-01

To gain insight into the nitrogen-related defects of InGaAsN, nitrogen vibrational mode spectra, Hall mobilities, and minority carrier diffusion lengths are examined for InGaAsN (1.1 eV band gap) grown by molecular beam epitaxy (MBE). Annealing promotes the formation of In-N bonding, and lateral carrier transport is limited by large scale (≫mean free path) material inhomogeneities. Comparing solar cell quantum efficiencies with our earlier results for devices grown by metalorganic chemical vapor deposition (MOCVD), we find significant electron diffusion in the MBE material (reversed from the hole diffusion in MOCVD material), and minority carrier diffusion in InGaAsN cannot be explained by a "universal," nitrogen-related defect.

Diffusion and aggregation of subsurface radiation defects in lithium fluoride nanocrystals

NASA Astrophysics Data System (ADS)

Voitovich, A. P.; Kalinov, V. S.; Martynovich, E. F.; Stupak, A. P.; Runets, L. P.

2015-09-01

Lithium fluoride nanocrystals were irradiated by gamma rays at a temperature below the temperature corresponding to the mobility of anion vacancies. The kinetics of the aggregation of radiation-induced defects in subsurface layers of nanocrystals during annealing after irradiation was elucidated. The processes that could be used to determine the activation energy of the diffusion of anion vacancies were revealed. The value of this energy in subsurface layers was obtained. For subsurface layers, the concentrations ratio of vacancies and defects consisting of one vacancy and two electrons was found. The factors responsible for the differences in the values of the activation energies and concentration ratios in subsurface layers and in the bulk of the crystals were discussed.

In situ observation of defect annihilation in Kr ion-irradiated bulk Fe/amorphous-Fe 2 Zr nanocomposite alloy

DOE PAGES

Yu, K. Y.; Fan, Z.; Chen, Y.; ...

2014-08-26

Enhanced irradiation tolerance in crystalline multilayers has received significant attention lately. However, little is known on the irradiation response of crystal/amorphous nanolayers. We report on in situ Kr ion irradiation studies of a bulk Fe 96Zr 4 nanocomposite alloy. Irradiation resulted in amorphization of Fe 2Zr and formed crystal/amorphous nanolayers. α-Fe layers exhibited drastically lower defect density and size than those in large α-Fe grains. In situ video revealed that mobile dislocation loops in α-Fe layers were confined by the crystal/amorphous interfaces and kept migrating to annihilate other defects. This study provides new insights on the design of irradiation-tolerant crystal/amorphousmore » nanocomposites.« less

A compensating point defect in carbon-doped GaN substrates studied with electron paramagnetic resonance spectroscopy

NASA Astrophysics Data System (ADS)

Willoughby, W. R.; Zvanut, M. E.; Paudel, Subash; Iwinska, M.; Sochacki, T.; Bockowski, M.

2018-04-01

Electron paramagnetic resonance (EPR) spectroscopy was used to investigate a type of point defect present in 1019 cm-3 carbon-doped GaN substrates grown by hydride vapor phase epitaxy. A broad, isotropic resonance at g ˜ 1.987 was observed at 3.5 K, and the EPR intensity increased with illumination at energies greater than 2.75 eV and decreased with photon energies greater than 0.95 eV. The latter is consistent with a deep level of 0.95 eV above the valence band maximum and implies that the associated defect likely participates in donor compensation. The ionization energy for this defect is close to the predicted value for the (-/0) transition level of CN and transition levels associated with Ga vacancies such as VGa and VGa-ON-2H.

Energy conversion modeling of the intrinsic persistent luminescence of solids via energy transfer paths between transition levels.

PubMed

Huang, Bolong; Sun, Mingzi

2017-04-05

An energy conversion model has been established for the intrinsic persistent luminescence in solids related to the native point defect levels, formations, and transitions. In this study, we showed how the recombination of charge carriers between different defect levels along the zero phonon line (ZPL) can lead to energy conversions supporting the intrinsic persistent phosphorescence in solids. This suggests that the key driving force for this optical phenomenon is the pair of electrons hopping between different charged defects with negative-U eff . Such a negative correlation energy will provide a sustainable energy source for electron-holes to further recombine in a new cycle with a specific quantum yield. This will help us to understand the intrinsic persistent luminescence with respect to native point defect levels as well as the correlations of electronics and energetics.

Repair of retropatellar cartilage defects in the knee with microfracture and a cell-free polymer-based implant.

PubMed

Becher, Christoph; Ettinger, Max; Ezechieli, Marco; Kaps, Christian; Ewig, Marc; Smith, Tomas

2015-07-01

To analyze magnetic resonance imaging (MRI) at 3T and the clinical outcome in a short-term pilot study after treatment of retropatellar cartilage defects with microfracturing and subsequent covering with the cell-free chondrotissue(®) polyglycolic acid-hyaluronan implant. Five consecutive patients after microfracturing and defect coverage with the chondrotissue(®) implant immersed with autologous serum were included. After a mean follow-up of 21 months (range 11-31 months), defect fill and repair tissue quality was assessed by 3-T MRI followed by applying established MRI scoring systems. The patients' situation was assessed using the Knee injury and Osteoarthritis Outcome Score (KOOS) and a patients' satisfaction questionnaire. Magnetic resonance imaging showed good to excellent defect fill with complete integration. The mean MOCART score was 61 (range 50-75) points. The mean Henderson score was 7 (range 6-9) points. All patients showed subchondral bone alterations. The KOOS showed good values in all sub-categories in 4 out of 5 patients and a mean overall score of 73 (range 40-90) points. Two patients rated the outcome as excellent, two as good and one as fair. All patients would have the procedure again and recommend it. In this small case series, the coverage of symptomatic retropatellar cartilage defects with the chondrotissue(®) implant after microfracturing was safe and feasible with improvement of the patients' situation at short-term follow-up. IV, case series.

A theoretical study of the stability of anionic defects in cubic ZrO 2 at extreme conditions

DOE PAGES

Samanta, Amit

2016-02-19

Using first principles density functional theory calculations, we present a study of the structure, mobility, and the thermodynamic stability of anionic defects in the high-temperature cubic phase of ZrO 2. Our results suggest that the local structure of an oxygen interstitial depends on the charge state and the cubic symmetry of the anionic sublattice is unstable at 0 K. In addition, the oxygen interstitials and the vacancies exhibit symmetry breaking transitions to low-energy structures with tetragonal distortion of the oxygen sublattice at 0 K. However, the vibrational entropy stabilizes the defect structures with cubic symmetry at 2600–2980 K. The formationmore » free energies of the anionic defects and Gibbs free energy changes associated with different defect reactions are calculated by including the vibrational free energy contributions and the effect of pressure on these defect structures. By analyzing the defect chemistry, we obtain the defect concentrations at finite temperature and pressure conditions using the zero temperature ab initio results as input and find that at low oxygen partial pressures, neutral oxygen vacancies are most dominant and at high oxygen partial pressures, doubly charged anionic defects are dominant. As a result, the relevance of the results to the thermal protective coating capabilities of zirconium-based ceramic composites is elucidated.« less

Compression of facsimile graphics for transmission over digital mobile satellite circuits

NASA Astrophysics Data System (ADS)

Dimolitsas, Spiros; Corcoran, Frank L.

A technique for reducing the transmission requirements of facsimile images while maintaining high intelligibility in mobile communications environments is described. The algorithms developed are capable of achieving a compression of approximately 32 to 1. The technique focuses on the implementation of a low-cost interface unit suitable for facsimile communication between low-power mobile stations and fixed stations for both point-to-point and point-to-multipoint transmissions. This interface may be colocated with the transmitting facsimile terminals. The technique was implemented and tested by intercepting facsimile documents in a store-and-forward mode.

Mechanisms of boron diffusion in silicon and germanium

NASA Astrophysics Data System (ADS)

Mirabella, S.; De Salvador, D.; Napolitani, E.; Bruno, E.; Priolo, F.

2013-01-01

B migration in Si and Ge matrices raised a vast attention because of its influence on the production of confined, highly p-doped regions, as required by the miniaturization trend. In this scenario, the diffusion of B atoms can take place under severe conditions, often concomitant, such as very large concentration gradients, non-equilibrium point defect density, amorphous-crystalline transition, extrinsic doping level, co-doping, B clusters formation and dissolution, ultra-short high-temperature annealing. In this paper, we review a large amount of experimental work and present our current understanding of the B diffusion mechanism, disentangling concomitant effects and describing the underlying physics. Whatever the matrix, B migration in amorphous (α-) or crystalline (c-) Si, or c-Ge is revealed to be an indirect process, activated by point defects of the hosting medium. In α-Si in the 450-650 °C range, B diffusivity is 5 orders of magnitude higher than in c-Si, with a transient longer than the typical amorphous relaxation time. A quick B precipitation is also evidenced for concentrations larger than 2 × 1020 B/cm3. B migration in α-Si occurs with the creation of a metastable mobile B, jumping between adjacent sites, stimulated by dangling bonds of α-Si whose density is enhanced by B itself (larger B density causes higher B diffusivity). Similar activation energies for migration of B atoms (3.0 eV) and of dangling bonds (2.6 eV) have been extracted. In c-Si, B diffusion is largely affected by the Fermi level position, occurring through the interaction between the negatively charged substitutional B and a self-interstitial (I) in the neutral or doubly positively charged state, if under intrinsic or extrinsic (p-type doping) conditions, respectively. After charge exchanges, the migrating, uncharged BI pair is formed. Under high n-type doping conditions, B diffusion occurs also through the negatively charged BI pair, even if the migration is depressed by Coulomb pairing with n-type dopants. The interplay between B clustering and migration is also modeled, since B diffusion is greatly affected by precipitation. Small (below 1 nm) and relatively large (5-10 nm in size) BI clusters have been identified with different energy barriers for thermal dissolution (3.6 or 4.8 eV, respectively). In c-Ge, B motion is by far less evident than in c-Si, even if the migration mechanism is revealed to be similarly assisted by Is. If Is density is increased well above the equilibrium (as during ion irradiation), B diffusion occurs up to quite large extents and also at relatively low temperatures, disclosing the underlying mechanism. The lower B diffusivity and the larger activation barrier (4.65 eV, rather than 3.45 eV in c-Si) can be explained by the intrinsic shortage of Is in Ge and by their large formation energy. B diffusion can be strongly enhanced with a proper point defect engineering, as achieved with embedded GeO2 nanoclusters, causing at 650 °C a large Is supersaturation. These aspects of B diffusion are presented and discussed, modeling the key role of point defects in the two different matrices.

40 CFR 85.1909 - Treatment of confidential information.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Treatment of confidential information. 85.1909 Section 85.1909 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements...

40 CFR 85.1905 - Alternative report formats.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Alternative report formats. 85.1905 Section 85.1905 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements § 85.1905...

Handgrip Strength Cutoff Points to Identify Mobility Limitation in Community-dwelling Older People and Associated Factors.

PubMed

Vasconcelos, K S de Souza; Dias, J M Domingues; Bastone, A de Carvalho; Vieira, R Alvarenga; Andrade, A C de Souza; Perracini, M Rodrigues; Guerra, R Oliveira; Dias, R Corrêa

2016-03-01

Sarcopenia is defined as a progressive and generalized loss of skeletal muscle mass and strength. The specific threshold of muscle weakness that leads to mobility limitations has not been identified. To determine the best cutoff point of handgrip strength for identifying mobility limitation and to investigate the factors associated with muscle weakness and mobility limitation in community-dwelling older people. Transversal study. Cities of Belo Horizonte, Barueri and Santa Cruz in Brazil. 1374 community-dwelling older people from the Frailty study in Brazilian older people (FIBRA Study). Outcomes included muscle weakness determined according to gender-specific handgrip strength cutoff points generated by Receiver Operating Characteristic curves, mobility limitation defined as a gait speed ≤ 0.8 m/s; and a combination of both muscle weakness and mobility limitation. Associated factors included socio-demographic variables, lifestyle, anthropometrics, health conditions, use of health services and disability. The cutoff points of handgrip strength with the best balancing between sensitivity and specificity for mobility limitation were 25.8 kgf for men (sensitivity 69%, specificity 73%) and 17.4 kgf (sensitivity 60%, specificity 66%) for women. Age and disability in instrumental activities of daily living were associated with all outcomes. Women had greater odds of mobility limitation than men. Physical inactivity, body fat, diabetes, depression, sleeping disturbances, number of medications and occurrence of falls remained as significant associated factors in the final model. Handgrip strength can be a useful tool to identify mobility limitation in clinical practice. Interventions to prevent or minimize impacts of sarcopenia should stimulate physical activity and improvement of body composition in addition to the management of chronic diseases and disabilities.

Density functional theory study of defects in unalloyed δ-Pu

DOE PAGES

Hernandez, S. C.; Freibert, F. J.; Wills, J. M.

2017-03-19

Using density functional theory, we explore in this paper various classical point and complex defects within the face-centered cubic unalloyed δ-plutonium matrix that are potentially induced from self-irradiation. For plutonium only defects, the most energetically stable defect is a distorted split-interstitial. Gallium, the δ-phase stabilizer, is thermodynamically stable as a substitutional defect, but becomes unstable when participating in a complex defect configuration. Finally, complex uranium defects may thermodynamically exist as uranium substitutional with neighboring plutonium interstitial and stabilization of uranium within the lattice is shown via partial density of states and charge density difference plots to be 5f hybridization betweenmore » uranium and plutonium.« less

Density functional theory study of defects in unalloyed δ-Pu

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

Hernandez, S. C.; Freibert, F. J.; Wills, J. M.

Using density functional theory, we explore in this paper various classical point and complex defects within the face-centered cubic unalloyed δ-plutonium matrix that are potentially induced from self-irradiation. For plutonium only defects, the most energetically stable defect is a distorted split-interstitial. Gallium, the δ-phase stabilizer, is thermodynamically stable as a substitutional defect, but becomes unstable when participating in a complex defect configuration. Finally, complex uranium defects may thermodynamically exist as uranium substitutional with neighboring plutonium interstitial and stabilization of uranium within the lattice is shown via partial density of states and charge density difference plots to be 5f hybridization betweenmore » uranium and plutonium.« less

Tracking Human Mobility Using WiFi Signals.

PubMed

Sapiezynski, Piotr; Stopczynski, Arkadiusz; Gatej, Radu; Lehmann, Sune

2015-01-01

We study six months of human mobility data, including WiFi and GPS traces recorded with high temporal resolution, and find that time series of WiFi scans contain a strong latent location signal. In fact, due to inherent stability and low entropy of human mobility, it is possible to assign location to WiFi access points based on a very small number of GPS samples and then use these access points as location beacons. Using just one GPS observation per day per person allows us to estimate the location of, and subsequently use, WiFi access points to account for 80% of mobility across a population. These results reveal a great opportunity for using ubiquitous WiFi routers for high-resolution outdoor positioning, but also significant privacy implications of such side-channel location tracking.

Thermal equilibrium concentration of intrinsic point defects in heavily doped silicon crystals - Theoretical study of formation energy and formation entropy in area of influence of dopant atoms-

NASA Astrophysics Data System (ADS)

Kobayashi, K.; Yamaoka, S.; Sueoka, K.; Vanhellemont, J.

2017-09-01

It is well known that p-type, neutral and n-type dopants affect the intrinsic point defect (vacancy V and self-interstitial I) behavior in single crystal Si. By the interaction with V and/or I, (1) growing Si crystals become more V- or I-rich, (2) oxygen precipitation is enhanced or retarded, and (3) dopant diffusion is enhanced or retarded, depending on the type and concentration of dopant atoms. Since these interactions affect a wide range of Si properties ranging from as-grown crystal quality to LSI performance, numerical simulations are used to predict and to control the behavior of both dopant atoms and intrinsic point defects. In most cases, the thermal equilibrium concentrations of dopant-point defect pairs are evaluated using the mass action law by taking only the binding energy of closest pair to each other into account. The impacts of dopant atoms on the formation of V and I more distant than 1st neighbor and on the change of formation entropy are usually neglected. In this study, we have evaluated the thermal equilibrium concentrations of intrinsic point defects in heavily doped Si crystals. Density functional theory (DFT) calculations were performed to obtain the formation energy (Ef) of the uncharged V and I at all sites in a 64-atom supercell around a substitutional p-type (B, Ga, In, and Tl), neutral (C, Ge, and Sn) and n-type (P, As, and Sb) dopant atom. The formation (vibration) entropies (Sf) of free I, V and I, V at 1st neighboring site from B, C, Sn, P and As atoms were also calculated with the linear response method. The dependences of the thermal equilibrium concentrations of trapped and total intrinsic point defects (sum of free I or V and I or V trapped with dopant atoms) on the concentrations of B, C, Sn, P and As in Si were obtained. Furthermore, the present evaluations well explain the experimental results of the so-called ;Voronkov criterion; in B and C doped Si, and also the observed dopant dependent void sizes in P and As doped Si crystals. The expressions obtained in the present work are very useful for the numerical simulation of grown-in defect behavior, oxygen precipitation and dopant diffusion in heavily doped Si. DFT calculations also showed that Coulomb interaction reaches approximately 30 Å from p (n)-type dopant atoms to I (V) in Si.

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

Merkulov, O.V., E-mail: merkulov@ihim.uran.ru; Samigullin, R.R.; Markov, A.A.

The electrical conductivity of SrFe{sub 1–x}Sn{sub x}O{sub 3–δ} (x=0.05, 0.10, 017) was measured by a four-probe dc technique in the partial oxygen pressure range of 10{sup –18}–0.5 atm at temperatures between 800 °Ð ÐŽ and 950 °Ð ÐŽ. The oxygen content in these oxides was measured under the same ambient conditions by means of coulometric titration. The thermodynamic analysis of oxygen nonstoichiometry data was carried out to determine the equilibrium constants for defect-formation reactions and to calculate the concentrations of ion and electron charge carriers. The partial contributions of oxygen ions, electrons and holes to charge transport were assessed, and the mobilitymore » of respective carriers was evaluated by an integral examination of the electrical conductivity and oxygen nonstoichiometry data. It has been found that the mobility of holes in SrFe{sub 1−x}Sn{sub x}O{sub 3−δ} varies in the range of ~0.005–0.04 cm{sup 2} V{sup −1} s{sup −1}, linearly increasing with the oxygen content and decreasing with increased tin concentration. The mobility of electron carriers was shown to be independent of the oxygen content. The average migration energy of an electron was estimated to be ~0.45 eV, with that of a hole being ~0.3 eV. - Highlights: • The conductivity and oxygen nonstoichiometry in SrFe{sub 1−x}Sn{sub x}O{sub 3−δ} were measured. • Tin substitution was found to affect insignificantly defect formation reactions. • The hole mobility was found to increase linearly with the oxygen content. • The hole mobility was found to be much higher than the electron mobility.« less

[Comparing the ranges of defect measured with standard white on white and Pulsar perimetries].

PubMed

González de la Rosa, M; González-Hernández, M; García-Feijoo, J; Sánchez Méndez, M; García-Sánchez, J

2011-04-01

Normal thresholds on Pulsar perimetry fall faster than those of standard perimetry in the peripheral visual field. Two related studies were performed. Firstly, the frequency distributions of glaucoma defects on standard automated perimetry (SAP) and the relationship of the centre and periphery (Study A) were studied first, followed by an attempt to establish the limits of pulsar perimetry (Study B). A: frequency of defects was calculated in 78.663 SAP perimetries (G1-TOP, Octopus 1-2-3, Haag-Streit). Study B: 204 eyes with mean defect (MD-SAP) lower than 9 dB were examined 8.92 ± 4.19 times with SAP (TOP-32, Octopus 311) and temporal modulation perimetry (T30W, Pulsar Perimeter, Haag-Streit). Study A: 50.7% of the SAP examinations showed MD values lower than 9 dB and 32.7% bellow 6 dB. The MD correlation of the central 20° with the MD of the most peripheral points was r=0.933. Study B: in cases with MD-TOP-32 lower than 6 dB, SAP had the maximum possibility of detecting defect in 0.02% of points and Pulsar in 0.29%. In subjects with MD-TOP-32 between 6 and 9 dB frequencies were 0.38% in SAP and 3.5% in Pulsar (5.1% for eccentricities higher than 20°). Pulsar allows detecting defects, without range limitations, in the initial half of SAP frequencies expected on glaucoma patients. In order to study the progression of deeper defects the examination should focus on the central points, where the dynamic range of both systems is more equivalent. Copyright © 2010 Sociedad Española de Oftalmología. Published by Elsevier Espana. All rights reserved.

Ab initio phonon point defect scattering and thermal transport in graphene

NASA Astrophysics Data System (ADS)

Polanco, Carlos A.; Lindsay, Lucas

2018-01-01

We study the scattering of phonons from point defects and their effect on lattice thermal conductivity κ using a parameter-free ab initio Green's function methodology. Specifically, we focus on the scattering of phonons by boron (B), nitrogen (N), and phosphorus substitutions as well as single- and double-carbon vacancies in graphene. We show that changes of the atomic structure and harmonic interatomic force constants locally near defects govern the strength and frequency trends of the scattering of out-of-plane acoustic (ZA) phonons, the dominant heat carriers in graphene. ZA scattering rates due to N substitutions are nearly an order of magnitude smaller than those for B defects despite having similar mass perturbations. Furthermore, ZA phonon scattering rates from N defects decrease with increasing frequency in the lower-frequency spectrum in stark contrast to expected trends from simple models. ZA phonon-vacancy scattering rates are found to have a significantly softer frequency dependence (˜ω0 ) in graphene than typically employed in phenomenological models. The rigorous Green's function calculations demonstrate that typical mass-defect models do not adequately describe ZA phonon-defect scattering rates. Our ab initio calculations capture well the trend of κ vs vacancy density from experiments, though not the magnitudes. This work elucidates important insights into phonon-defect scattering and thermal transport in graphene, and demonstrates the applicability of first-principles methods toward describing these properties in imperfect materials.

Accuracy assessment of a mobile terrestrial lidar survey at Padre Island National Seashore

USGS Publications Warehouse

Lim, Samsung; Thatcher, Cindy A.; Brock, John C.; Kimbrow, Dustin R.; Danielson, Jeffrey J.; Reynolds, B.J.

2013-01-01

The higher point density and mobility of terrestrial laser scanning (light detection and ranging (lidar)) is desired when extremely detailed elevation data are needed for mapping vertically orientated complex features such as levees, dunes, and cliffs, or when highly accurate data are needed for monitoring geomorphic changes. Mobile terrestrial lidar scanners have the capability for rapid data collection on a larger spatial scale compared with tripod-based terrestrial lidar, but few studies have examined the accuracy of this relatively new mapping technology. For this reason, we conducted a field test at Padre Island National Seashore of a mobile lidar scanner mounted on a sport utility vehicle and integrated with a position and orientation system. The purpose of the study was to assess the vertical and horizontal accuracy of data collected by the mobile terrestrial lidar system, which is georeferenced to the Universal Transverse Mercator coordinate system and the North American Vertical Datum of 1988. To accomplish the study objectives, independent elevation data were collected by conducting a high-accuracy global positioning system survey to establish the coordinates and elevations of 12 targets spaced throughout the 12 km transect. These independent ground control data were compared to the lidar scanner-derived elevations to quantify the accuracy of the mobile lidar system. The performance of the mobile lidar system was also tested at various vehicle speeds and scan density settings (e.g. field of view and linear point spacing) to estimate the optimal parameters for desired point density. After adjustment of the lever arm parameters, the final point cloud accuracy was 0.060 m (east), 0.095 m (north), and 0.053 m (height). The very high density of the resulting point cloud was sufficient to map fine-scale topographic features, such as the complex shape of the sand dunes.

Thermodynamic assessment of oxygen diffusion in non-stoichiometric UO2±x from experimental data and Frenkel pair modeling

NASA Astrophysics Data System (ADS)

Berthinier, C.; Rado, C.; Chatillon, C.; Hodaj, F.

2013-02-01

The self and chemical diffusion of oxygen in the non-stoichiometric domain of the UO2 compound is analyzed from the point of view of experimental determinations and modeling from Frenkel pair defects. The correlation between the self-diffusion and the chemical diffusion coefficients is analyzed using the Darken coefficient calculated from a thermodynamic description of the UO2±x phase. This description was obtained from an optimization of thermodynamic and phase diagram data and modeling with different point defects, including the Frenkel pair point defects. The proposed diffusion coefficients correspond to the 300-2300 K temperature range and to the full composition range of the non stoichiometric UO2 compound. These values will be used for the simulation of the oxidation and ignition of the uranium carbide in different oxygen atmospheres that starts at temperatures as low as 400 K.

Primary radiation damage of an FeCr alloy under pressure: Atomistic simulation

NASA Astrophysics Data System (ADS)

Tikhonchev, M. Yu.; Svetukhin, V. V.

2017-05-01

The primary radiation damage of a binary FeCr alloy deformed by applied mechanical loading is studied by an atomistic molecular dynamics simulation. Loading is simulated by specifying an applied pressure of 0.25, 1.0, and 2.5 GPa of both signs. Hydrostatic and uniaxial loading is considered along the [001], [111], [112], and [210] directions. The influence of loading on the energy of point defect formation and the threshold atomic displacement energy in single-component bcc iron is investigated. The 10-keV atomic displacement cascades in a "random" binary Fe-9 at % Cr alloy are simulated at an initial temperature of 300 K. The number of the point defects generated in a cascade is estimated, and the clustering of point defects and the spatial orientation of interstitial configurations are analyzed. Our results agree with the results of other researchers and supplement them.

Distribution of point defects in Si(100)/Si grown by low-temperature molecular-beam epitaxy and solid-phase epitaxy

NASA Astrophysics Data System (ADS)

Asoka-Kumar, P.; Gossmann, H.-J.; Unterwald, F. C.; Feldman, L. C.; Leung, T. C.; Au, H. L.; Talyanski, V.; Nielsen, B.; Lynn, K. G.

1993-08-01

Positron annihilation in Si is a quantitaive, depth-sensitive technique for the detection of vacancylike defects or voids. A sensitivity of 5×1015 cm-3 for voidlike defects is easily achieved. The technique has been applied to a study of point-defect distributions in thin films of Si grown by molecular-beam epitaxy. A special procedure was developed to remove the influence of the native oxide on the positron measurement. 200-nm-thick films grown at temperatures between 475 and 560 °C show no defects below the sensitivity limit and are indistinguishable from the bulk substrate. So are films grown at 220 °C, provided a 2-min high-temperature anneal to a peak temperature of >=500 °C is executed every ~=30 nm during growth. If TRTA=450 °C, part of the film contains vacancylike defects to a concentration of ~=1018 cm-3. These results correlate well with current-voltage characteristics of p-n junctions grown with different rapid thermal anneal (RTA) temperatures. Ion scattering, with a defect sensitivity of ~=1%, shows no difference between films grown with different TRTA. Recrystallization of amorphous films, deposited at room temperature and annealed in situ at 550 °C, always leaves a significant defect concentration of ~=2×1018 cm-3; those defects are reduced but still present even after a 2-h 800 °C furnace anneal.

Automation of the Image Analysis for Thermographic Inspection

NASA Technical Reports Server (NTRS)

Plotnikov, Yuri A.; Winfree, William P.

1998-01-01

Several data processing procedures for the pulse thermal inspection require preliminary determination of an unflawed region. Typically, an initial analysis of the thermal images is performed by an operator to determine the locations of unflawed and the defective areas. In the present work an algorithm is developed for automatically determining a reference point corresponding to an unflawed region. Results are obtained for defects which are arbitrarily located in the inspection region. A comparison is presented of the distributions of derived values with right and wrong localization of the reference point. Different algorithms of automatic determination of the reference point are compared.

Evaluation of melting point of UO 2 by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Arima, Tatsumi; Idemitsu, Kazuya; Inagaki, Yaohiro; Tsujita, Yuichi; Kinoshita, Motoyasu; Yakub, Eugene

2009-06-01

The melting point of UO 2 has been evaluated by molecular dynamics simulation (MD) in terms of interatomic potential, pressure and Schottky defect concentration. The Born-Mayer-Huggins potentials with or without a Morse potential were explored in the present study. Two-phase simulation whose supercell at the initial state consisted of solid and liquid phases gave the melting point comparable to the experimental data using the potential proposed by Yakub. The heat of fusion was determined by the difference in enthalpy at the melting point. In addition, MD calculations showed that the melting point increased with pressure applied to the system. Thus, the Clausius-Clapeyron equation was verified. Furthermore, MD calculations clarified that an addition of Schottky defects, which generated the local disorder in the UO 2 crystal, lowered the melting point.

Crystal defect studies using x-ray diffuse scattering

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

Larson, B.C.

1980-01-01

Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation intomore » dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.« less

47 CFR 20.3 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... hardware and/or software in the caller's portable or mobile phone. Private Mobile Radio Service. A mobile... Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES COMMERCIAL MOBILE RADIO SERVICES § 20.3 Definitions. Appropriate local emergency authority. An emergency answering point that has...

Periodic surface structure bifurcation induced by ultrafast laser generated point defect diffusion in GaAs

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

Abere, Michael J.; Yalisove, Steven M.; Torralva, Ben

2016-04-11

The formation of high spatial frequency laser induced periodic surface structures (HSFL) with period <0.3 λ in GaAs after irradiation with femtosecond laser pulses in air is studied. We have identified a point defect generation mechanism that operates in a specific range of fluences in semiconductors between the band-gap closure and ultrafast-melt thresholds that produces vacancy/interstitial pairs. Stress relaxation, via diffusing defects, forms the 350–400 nm tall and ∼90 nm wide structures through a bifurcation process of lower spatial frequency surface structures. The resulting HSFL are predominately epitaxial single crystals and retain the original GaAs stoichiometry.

40 CFR 85.1906 - Report filing: Record retention.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Report filing: Record retention. 85.1906 Section 85.1906 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements § 85.1906...

40 CFR 85.1907 - Responsibility under other legal provisions preserved.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Responsibility under other legal provisions preserved. 85.1907 Section 85.1907 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM MOBILE SOURCES Emission Defect Reporting...

40 CFR 85.1908 - Disclaimer of production warranty applicability.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 18 2010-07-01 2010-07-01 false Disclaimer of production warranty applicability. 85.1908 Section 85.1908 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements...

40 CFR 85.1902 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-07-01

... Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM MOBILE SOURCES Emission Defect Reporting Requirements § 85.1902 Definitions. Link to an...: (a) Act shall mean the Clean Air Act, 42 U.S.C. 1857, as amended. (b) The phrase emission-related...

Pole-Like Road Furniture Detection in Sparse and Unevenly Distributed Mobile Laser Scanning Data

NASA Astrophysics Data System (ADS)

Li, F.; Lehtomäki, M.; Oude Elberink, S.; Vosselman, G.; Puttonen, E.; Kukko, A.; Hyyppä, J.

2018-05-01

Pole-like road furniture detection received much attention due to its traffic functionality in recent years. In this paper, we develop a framework to detect pole-like road furniture from sparse mobile laser scanning data. The framework is carried out in four steps. The unorganised point cloud is first partitioned. Then above ground points are clustered and roughly classified after removing ground points. A slicing check in combination with cylinder masking is proposed to extract pole-like road furniture candidates. Pole-like road furniture are obtained after occlusion analysis in the last stage. The average completeness and correctness of pole-like road furniture in sparse and unevenly distributed mobile laser scanning data was above 0.83. It is comparable to the state of art in the field of pole-like road furniture detection in mobile laser scanning data of good quality and is potentially of practical use in the processing of point clouds collected by autonomous driving platforms.

Magnetic correlations in La(2-x)Sr(x)CuO4 from NQR relaxation and specific heat

NASA Technical Reports Server (NTRS)

Borsa, F.; Rigamonti, A.

1990-01-01

La-139 and Cu-63 Nuclear Quadrupole Resonance (NQR) relaxation measurements in La(2-x)Sr(x)CuO4 for O = to or less than 0.3 and in the temperature range 1.6 + 450 K are analyzed in terms of Cu(++) magnetic correlations and dynamics. It is described how the magnetic correlations that would result from Cu-Cu exchange are reduced by mobile charge defects related to x-doping. A comprehensive picture is given which explains satisfactorily the x and T dependence of the correlation time, of the correlation length and of the Neel temperature T(sub n)(x) as well as being consistent with known electrical resistivity and magnetic susceptibility measurements. It is discussed how, in the superconducting samples, the mobile defects also cause the decrease, for T yields T(sub c)(+) of the hyperfine Cu electron-nucleus effective interaction, leading to the coexistence of quasi-localized, reduced magnetic moments from 3d Cu electrons and mobile oxygen p-hole carriers. The temperature dependence of the effective hyperfine field around the superconducting transition yields an activation energy which could be related to the pairing energy. New specific heat measurements are also presented and discussed in terms of the above picture.

First-principles study of structural, electronic, and optical properties of surface defects in GaAs(001) - β2(2x4)

NASA Astrophysics Data System (ADS)

Bacuyag, Dhonny; Escaño, Mary Clare Sison; David, Melanie; Tani, Masahiko

2018-06-01

We performed first-principles calculations based on density functional theory (DFT) to investigate the role of point defects in the structural, electronic, and optical properties of the GaAs(001)- β2(2x4). In terms of structural properties, AsGa is the most stable defect structure, consistent with experiments. With respect to the electronic structure, band structures revealed the existence of sub-band and midgap states for all defects. The induced sub-bands and midgap states originated from the redistributions of charges towards these defects and neighboring atoms. The presence of these point defects introduced deep energy levels characteristic of EB3 (0.97 eV), EL4 (0.52 eV), and EL2 (0.82 eV) for AsGa, GaAs, GaV, respectively. The optical properties are found to be strongly related to these induced gap states. The calculated onset values in the absorption spectra, corresponding to the energy gaps, confirmed the absorption below the known bulk band gap of 1.43 eV. These support the possible two-step photoabsorption mediated by midgap states as observed in experiments.

Significant mobility improvement of amorphous In-Ga-Zn-O thin-film transistors annealed in a low temperature wet ambient environment

NASA Astrophysics Data System (ADS)

Jallorina, Michael Paul A.; Bermundo, Juan Paolo S.; Fujii, Mami N.; Ishikawa, Yasuaki; Uraoka, Yukiharu

2018-05-01

Transparent amorphous oxide semiconducting materials such as amorphous InGaZnO used in thin film transistors (TFTs) are typically annealed at temperatures higher than 250 °C to remove any defects present and improve the electrical characteristics of the device. Previous research has shown that low cost and low temperature methods improve the electrical characteristics of the TFT. With the aid of surface and bulk characterization techniques in comparison to the device characteristics, this work aims to elucidate further on the improvement mechanisms of wet and dry annealing ambients that affect the electrical characteristics of the device. Secondary Ion Mass Spectrometry results show that despite outward diffusion of -H and -OH species, humid annealing ambients counteract outward diffusion of these species, leading to defect sites which can be passivated by the wet ambient. X-ray Photoelectron Spectroscopy results show that for devices annealed for only 30 min in a wet annealing environment, the concentration of metal-oxide bonds increased by as much as 21.8% and defects such as oxygen vacancies were reduced by as much as 18.2% compared to an unannealed device. Our work shows that due to the oxidizing power of water vapor, defects are reduced, and overall electrical characteristics are improved as evidenced with the 150 °C wet O2, 30 min annealed sample which exhibited the highest mobility of 5.00 cm2/V s, compared to 2.36 cm2/V s for a sample that was annealed at 150 °C in a dry ambient atmospheric environment for 2 h.

TiN/Al2O3/ZnO gate stack engineering for top-gate thin film transistors by combination of post oxidation and annealing

NASA Astrophysics Data System (ADS)

Kato, Kimihiko; Matsui, Hiroaki; Tabata, Hitoshi; Takenaka, Mitsuru; Takagi, Shinichi

2018-04-01

Control of fabrication processes for a gate stack structure with a ZnO thin channel layer and an Al2O3 gate insulator has been examined for enhancing the performance of a top-gate ZnO thin film transistor (TFT). The Al2O3/ZnO interface and the ZnO layer are defective just after the Al2O3 layer formation by atomic layer deposition. Post treatments such as plasma oxidation, annealing after the Al2O3 deposition, and gate metal formation (PMA) are promising to improve the interfacial and channel layer qualities drastically. Post-plasma oxidation effectively reduces the interfacial defect density and eliminates Fermi level pinning at the Al2O3/ZnO interface, which is essential for improving the cut-off of the drain current of TFTs. A thermal effect of post-Al2O3 deposition annealing at 350 °C can improve the crystalline quality of the ZnO layer, enhancing the mobility. On the other hand, impacts of post-Al2O3 deposition annealing and PMA need to be optimized because the annealing can also accompany the increase in the shallow-level defect density and the resulting electron concentration, in addition to the reduction in the deep-level defect density. The development of the interfacial control technique has realized the excellent TFT performance with a large ON/OFF ratio, steep subthreshold characteristics, and high field-effect mobility.

Real-time global illumination on mobile device

NASA Astrophysics Data System (ADS)

Ahn, Minsu; Ha, Inwoo; Lee, Hyong-Euk; Kim, James D. K.

2014-02-01

We propose a novel method for real-time global illumination on mobile devices. Our approach is based on instant radiosity, which uses a sequence of virtual point lights in order to represent the e ect of indirect illumination. Our rendering process consists of three stages. With the primary light, the rst stage generates a local illumination with the shadow map on GPU The second stage of the global illumination uses the re ective shadow map on GPU and generates the sequence of virtual point lights on CPU. Finally, we use the splatting method of Dachsbacher et al 1 and add the indirect illumination to the local illumination on GPU. With the limited computing resources in mobile devices, a small number of virtual point lights are allowed for real-time rendering. Our approach uses the multi-resolution sampling method with 3D geometry and attributes simultaneously and reduce the total number of virtual point lights. We also use the hybrid strategy, which collaboratively combines the CPUs and GPUs available in a mobile SoC due to the limited computing resources in mobile devices. Experimental results demonstrate the global illumination performance of the proposed method.

Novel association of VACTERL, neural tube defect and crossed renal ectopia: sonic hedgehog signaling: a point of coherence?

PubMed

Vaze, Dhananjay; Mahalik, Santosh; Rao, Katragadda L N

2012-12-01

The present case report describes two patients with a novel combination of VACTERL (vertebral, anorectal, cardiac, tracheoesophageal, renal, limb), neural tube defect and crossed renal ectopia. Though cases of VACTERL associated with crossed renal ectopia have been described, the present case report is the first to describe its combination with neural tube defect. The cases reported here are significant because central nervous system manifestations are scarce in VACTERL syndrome. The role of sonic hedgehog pathway has been proposed in VACTERL association and neural tube defects. Axial Sonic hedgehog signaling has also been implicated in the mediolateral positioning of the renal parenchyma. With this knowledge, the etiopathogenesis of this novel combination is discussed to highlight the role of sonic hedgehog signaling as a point of coherence. © 2011 The Authors. Congenital Anomalies © 2011 Japanese Teratology Society.

Soliton-impurity interaction in two Ablowitz-Ladik chains with different coupling

NASA Astrophysics Data System (ADS)

Kamburova, R. S.; Primatarowa, M. T.

2014-12-01

The interaction of solitons with point defects in a system of coupled Ablowitz- Ladik (AL) chains is studied numerically. The system is a discrete analog of coupled nonlinear Schrodinger equations. Two types of interchain coupling are investigated: one which admits reduction of the system to the standard integrable AL model (dispersive coupling) and one which couples opposite sites of the chains and does not admit reduction to the AL model (nondispersive coupling). The action of the two coupling types is additive and they can compensate each other in some cases. We have obtained that the single-peak bound soliton-defect solution (attractive impurity) is stable against perturbations, while the double-peak bound soliton-defect solution (repulsive impurity) is unstable and can be easily destroyed. Linear point defects do not influence the period of energy transfer and it is close to the period for the homogeneous case.

Application of constrained equilibrium thermodynamics to irradiated alloy systems

NASA Astrophysics Data System (ADS)

Holloway, James Paul; Stubbins, James F.

1984-05-01

Equilibrium thermodynamics are applied to systems with an excess of point defects to calculate the relative stability of phases. It is possible to model systems with supersaturation levels of vacancies and interstitials, such as those found under irradiation. The calculations reveal the extent to which phase compositional boundaries could shift when one phase or both in a two phase system contain an excess of point defects. Phase boundary shifts in the Ni-Si, Fe-Ni, Ni-Cr, and Fe-Cr systems are examined as a function of the number of excess defects in each phase. It is also found that the critical temperature of the sigma phase in the Fe-Cr system and the fcc-bcc transition in the Fe-Ni are sensitive to excess defect concentrations. These results may apply to local irradiation-induced phase transformations in the presence of solute segregation.

Effect of ultrasonic cavitation on the diffusivity of a point defect in the passive film on formed Nb in 0.5 M HCl solution.

PubMed

Li, D G

2015-11-01

This work primarily focused on the influence of ultrasonic cavitation on the transport property of the point defect in the passive film on formed Nb in 0.5M HCl solution via electrochemical techniques based on the point defect model (PDM). The influence of ultrasonic cavitation on the composition and structure of the passive film was detected by X-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES). The transport property of a point defect in the passive film was characterized by the diffusivity of the point defect (D0). The influences of the ultrasonic cavitation power, passivated time and the distance between horn bottom and sample surface on D0 were analyzed. The results demonstrated that the passive film formed on Nb was an n-type semiconductor with a donor density (ND) ranging from 10(19) cm(-3) to 10(20) cm(-3) in the case of static state, while the order of ND increased one to two times by applying ultrasonic cavitation during film formation. The diffusivity of the point defect (D0) in the passive film formed on Nb at 0.5 V for 1 h in a 0.5 M HCl solution in the static state was calculated to be 9.704×10(-18) cm(2) s(-1), and it increased to 1.255×10(-16) cm(2) s(-1), 7.259×10(-16) cm(2) s(-1) and 7.296×10(-15) cm(2) s(-1) when applying the 180 W, 270 W and 450 W ultrasonic cavitation powers during film formation. D0 increased with the increment of the ultrasonic cavitation power, and decreased with the increased in formation time and distance between the horn bottom and sample surface. AES results showed the film structure and composition were changed by applying the ultrasonic cavitation. XPS results revealed that the passive film was mainly composed of Nb2O5 in the static state, and the low valence Nb-oxide (NbO) appeared in the passive film except Nb2O5 in the case of applying a 270 W ultrasonic cavitation power. Copyright © 2015 Elsevier B.V. All rights reserved.

Specific features of electron scattering in uniaxially deformed n-Ge single crystals in the presence of radiation defects

NASA Astrophysics Data System (ADS)

Luniov, S. V.; Zimych, A. I.; Nazarchuk, P. F.; Maslyuk, V. T.; Megela, I. G.

2016-12-01

Temperature dependencies for concentration of electrons and the Hall mobility for unirradiated and irradiated by the flow of electrons ? single crystals ?, with the energy of ?, for different values of uniaxial pressures along the crystallographic directions ?, ? and ? are obtained on the basis of piezo-Hall effect measurements. Non-typical growth of the Hall mobility of electrons for irradiated single crystals ? in comparison with unirradiated with the increasing of value of uniaxial pressures along the crystallographic directions ? (for the entire range of the investigated temperatures) and ? (to temperatures ?) has been revealed. Such an effect of the Hall mobility increase for uniaxially deformed single crystals ? is explained by the reduction of gradients of a resistance as a result of reduction in the amplitude of a large-scale potential with deformation and concentration of charged A-centers in the process of their recharge by the increasing of uniaxial pressure and consequently the probability of scattering on these centers. Theoretical calculations for temperature dependencies of the Hall mobility for uniaxially deformed single crystals ? in terms of the electrons scattering on the ions of shallow donors, acoustic, optical and intervalley phonons, regions of disordering and large-scale potential is good conformed to the corresponding experimental results at temperatures T<220 K for the case of uniaxial pressures along the crystallographic directions ? and ? and for temperatures ? when the uniaxial pressure is directed along the crystallographic directions ?. The mechanism of electron scattering on a charged radiation defects (which correspond to the deep energy levels of A-centers) 'is turned off' for the given temperatures due to the uniaxial pressure. Reduction of the Hall mobility in transition through a maximum of dependence ? with the increasing temperature for cases of the uniaxial deformation of the irradiated single crystals ? along the crystallographic directions ? and ? is explained by the deforming redistribution of electrons between the minima of conduction band of germanium with different mobility.

Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys.

PubMed

Lu, Chenyang; Jin, Ke; Béland, Laurent K; Zhang, Feifei; Yang, Taini; Qiao, Liang; Zhang, Yanwen; Bei, Hongbin; Christen, Hans M; Stoller, Roger E; Wang, Lumin

2016-02-01

Energetic ions have been widely used to evaluate the irradiation tolerance of structural materials for nuclear power applications and to modify material properties. It is important to understand the defect production, annihilation and migration mechanisms during and after collision cascades. In this study, single crystalline pure nickel metal and single-phase concentrated solid solution alloys of 50%Ni50%Co (NiCo) and 50%Ni50%Fe (NiFe) without apparent preexisting defect sinks were employed to study defect dynamics under ion irradiation. Both cross-sectional transmission electron microscopy characterization (TEM) and Rutherford backscattering spectrometry channeling (RBS-C) spectra show that the range of radiation-induced defect clusters far exceed the theoretically predicted depth in all materials after high-dose irradiation. Defects in nickel migrate faster than in NiCo and NiFe. Both vacancy-type stacking fault tetrahedra (SFT) and interstitial loops coexist in the same region, which is consistent with molecular dynamics simulations. Kinetic activation relaxation technique (k-ART) simulations for nickel showed that small vacancy clusters, such as di-vacancies and tri-vacancies, created by collision cascades are highly mobile, even at room temperature. The slower migration of defects in the alloy along with more localized energy dissipation of the displacement cascade may lead to enhanced radiation tolerance.