Assessment of the molecular structure of the borate mineral boracite Mg3B7O13Cl using vibrational spectroscopy

Boracite is a magnesium borate mineral with formula: Mg3B7O13Cl and occurs as blue green, colorless, gray, yellow to white crystals in the orthorhombic – pyramidal crystal system. An intense Raman band at 1009 cm−1 was assigned to the BO stretching vibration of the B7O13 units. Raman bands at 1121, 1136, 1143 cm−1 are attributed to the in-plane bending vibrations of trigonal boron. Four sharp Raman bands observed at 415, 494, 621 and 671 cm−1 are simply defined as trigonal and tetrahedral borate bending modes. The Raman spectrum clearly shows intense Raman bands at 3405 and 3494 cm−1, thus indicating that some Cl anions have been replaced with OH units. The molecular structure of a natural boracite has been assessed by using vibrational spectroscopy.

Near Infrared Spectroscopy Evaluation of Articular Cartilage : Decision-Making in Arthroplasty : Real-Time Assessment of Articular Cartilage

Current diagnostic methods for assessing the severity of articular cartilage degenerative conditions, such as osteoarthritis, are inadequate. There is also a lack of techniques that can be used for real-time evaluation of the tissue during surgery to inform treatment decision and eliminate subjectivity. This book, derived from Dr Afara’s doctoral research, presents a scientific framework that is based on near infrared (NIR) spectroscopy for facilitating the non-destructive evaluation of articular cartilage health relative to its structural, functional, and mechanical properties. This development is a component of the ongoing research on advanced endoscopic diagnostic techniques in the Articular Cartilage Biomechanics Research Laboratory of Professor Adekunle Oloyede at Queensland University of Technology (QUT), Brisbane Australia.

Preliminary study on the stability of highly sensitive fiber Bragg grating temperature sensors [对高灵敏光纤光栅温度传感器的稳定性的初探]

As a novel sensitive element and due to its advantages of immunity to electrical interference, distributed measurement, etc., fiber Bragg grating (FBG) has been researched widely. To realize the substitution of high accurate electronic temperature sensors, high sensitive FBG temperature sensors can be made by taking advantage of its characters of being sensitive to both temperature and strain. Although there are reports about high sensitive FBG temperature sensors, however, few about their stability have been done. We manufactured a high sensitive FBG temperature sensor, and put it together with an average FBG temperature sensor and an electronic crystal temperature sensor into a stainless steel container filled by water to observe the room temperature change. By comparing their results in two weeks, we have found out that: although the high sensitive FBG temperature sensor is in much better agreement with the electronic crystal sensor than the average FBG sensor is, it has occurred some small drifts. Because the drifts appeared in the process of further pulling the FBG, it might be a result of the slip of the FBG fixing points. This contributes some good experiences to the application of FBG in high accuracy temperature measurement.

High-sensitivity fiber Bragg grating temperature sensor at high temperature [一种高温下高灵敏光纤光栅温度传感器的制作方法]

A method of making full use of the durable strain which fiber Bragg grating (FBG) can undertake is presented, which hugely improves the sensitivities of FBG temperature sensors at high temperature. When a sensor is manufactured at room temperature, its FBG should be given a pre-relaxing length according to the temperature it is asked to measure; once the temperature rise to the asked one, its FBG starts to be stretched and it starts to work with high sensitivity. The relationship between the pre-relaxing length and the working temperature is analyzed. In experiments, when the pre-relaxing lengths are 0.2mm、0.5mm、0.6mm, the working temperatures rise 25℃、50℃、61℃, respectively, and the sensitivities are almost the same (675pm/℃). The facts that the experimental results agree well with the theoretical analyses verify this method’s validity.

A fiber Bragg grating temperature sensor with adjustable sensitivity [一种灵敏度系数可调的光纤光栅温度传感器]

As a novel sensing element, fiber Bragg grating (FBG) is sensitive to both temperature and strain. Basing on this character, high sensitivity FBG temperature sensor can be made. However, as a result of the strain limit of the fiber, the temperature range it can endure is quite narrow. This drawback limits its application and complicates its storage and transport. We design and manufacture a FBG temperature sensor with tunable sensitivity. By tuning its sensitivity, its temperature range is changed, which enlarges its application field, solves the problem of storage and transport, and brighten the future of FBG in temperature measurement. In experiment, by changing the fixing position of the bimetal we tuned the sensitivity of the high sensitivity FBG sensor to different values (-47 pm/℃，-97.7 pm/℃，-153.3 pm/℃).

The application of fiber Bragg grating sensor to high precision temperature measurement [基于光纤光栅的高精度测温传感器研究]

Basing on the character that Fiber Bragg Grating (FBG) is sensitive to both temperature and strain, by using Al and Fe-Ni alloy’s bimetal structure, we successfully design and manufacture a high accuracy FBG temperature sensor for earthquake premonition. Furthermore, we analyze the accuracy of the FBG sensors with enhanced sensitivity for the first time, and get its accuracy is up to ±0.05℃ with highest resolution ever in all FBG temperature sensors (0.0014℃/pm). This work experimentally proves the feasibility of using FBG in the earthquake premonition monitoring, and builds the foundation for the application of optic technology in earthquake premonition monitoring.

Vibrational spectroscopy of the borate mineral henmilite Ca2Cu[B(OH)4]2(OH)4

Henmilite is a triclinic mineral with the crystal structure consisting of isolated B(OH)4 tetrahedra, planar Cu(OH)4 groups and Ca(OH)3 polyhedra. The structure can also be viewed as having dimers of Ca polyhedra connected to each other through 2B(OH) tetrahedra to form chains parallel to the C axis. The structure of the mineral has been assessed by the combination of Raman and infrared spectra. Raman bands at 902, 922, 951, and 984 cm−1 and infrared bands at 912, 955 and 998 cm−1 are assigned to stretching vibrations of tetragonal boron. The Raman band at 758 cm−1 is assigned to the symmetric stretching mode of tetrahedral boron. The series of bands in the 400–600 cm−1 region are due to the out-of-plane bending modes of tetrahedral boron. Two very sharp Raman bands are observed at 3559 and 3609 cm−1. Two infrared bands are found at 3558 and 3607 cm−1. These bands are assigned to the OH stretching vibrations of the OH units in henmilite. A series of Raman bands are observed at 3195, 3269, 3328, 3396, 3424 and 3501 cm−1 are assigned to water stretching modes. Infrared spectroscopy also identified water and OH units in the henmilite structure. It is proposed that water is involved in the structure of henmilite. Hydrogen bond distances based upon the OH stretching vibrations using a Libowitzky equation were calculated. The number and variation of water hydrogen bond distances are important for the stability off the mineral.

Vibrational spectroscopy of the borate mineral kotoite Mg3(BO3)2

Vibrational spectroscopy has been used to assess the structure of kotoite a borate mineral of magnesium which is isostructural with jimboite. The mineral is orthorhombic with point group: 2/m 2/m 2/m. The mineral has the potential as a new memory insulator material. The mineral has been characterised by a combination of Raman and infrared spectroscopy. The Raman spectrum is dominated by a very intense band at 835 cm−1, assigned to the symmetric stretching mode of tetrahedral boron. Raman bands at 919, 985 and 1015 cm−1 are attributed to the antisymmetric stretching modes of tetrahedral boron. Kotoite is strictly an hydrous borate mineral. An intense Raman band observed at 3559 cm−1 is attributed to the stretching vibration of hydroxyl units, more likely to be associated with the borate mineral hydroxyborate. The lack of observation of water bending modes proves the absence of water in the kotoite structure.

Vibrational spectroscopy of natural cave mineral monetite CaHPO4 and the synthetic analog

Monetite is a phosphate mineral formed by the reaction of the chemicals in bat guano with calcite substrates and is commonly found in caves. The analog of the mineral monetite CaHPO4 has been synthesized and the Raman and infrared spectra of the natural monetite originating from the Murra-el-elevyn Cave, Eucla, Western Australia, compared. Monetite is characterized by a complex set of phosphate bands that arise because of two sets of pairs of phosphate units in the unit cell. Raman and infrared bands are assigned to HPO4(2-), OH stretching and bending vibrations. Infrared bands at 1346 and 1402 cm−1 are assigned to POH deformation modes. Vibrational spectroscopy confirms the presence of monetite in the cave system.

A vibrational spectroscopic study of the so-called ‘healing’ mineral papagoite CaCuAlSi2O6(OH)3

Papagoite is a silicate mineral named after an American Indian tribe and was used as a healing mineral. Papagoite CaCuAlSi2O6(OH)3 is a hydroxy mixed anion compound with both silicate and hydroxyl anions in the formula. The structural characterization of the mineral papagoite remains incomplete. Papagoite is a four-membered ring silicate with Cu2+ in square planar coordination. The intense sharp Raman band at 1053 cm−1 is assigned to the ν1 (A 1g) symmetric stretching vibration of the SiO4 units. The splitting of the ν3 vibrational mode offers support to the concept that the SiO4 tetrahedron in papagoite is strongly distorted. A very intense Raman band observed at 630 cm−1 with a shoulder at 644 cm−1 is assigned to the ν4 vibrational modes. Intense Raman bands at 419 and 460 cm−1 are attributed to the ν2 bending modes. Intense Raman bands at 3545 and 3573 cm−1 are assigned to the stretching vibrations of the OH units. Low-intensity Raman bands at 3368 and 3453 cm−1 are assigned to water stretching modes. It is suggested that the formula of papagoite is more likely to be CaCuAlSi2O6(OH)3 · xH2O. Hence, vibrational spectroscopy has been used to characterize the molecular structure of papagoite.

Algorithm for queue estimation with loop detector of time occupancy in off-ramps on signalized motorways

Long traffic queues on off-ramps significantly compromise the safety and throughput of motorways. Obtaining accurate queue information is crucial for countermeasure strategies. However, it is challenging to estimate traffic queues with locally installed inductive loop detectors. This paper deals with the problem of queue estimation with the interpretation of queuing dynamics and the corresponding time-occupancy distribution over motorway off-ramps. A novel algorithm for real-time queue estimation with two detectors is presented and discussed. Results derived from microscopic traffic simulation validated the effectiveness of the algorithm and revealed some of its useful features: (a) long and intermediate traffic queues could be accurately measured, (b) relatively simple detector input (i.e., time occupancy) was required, and (c) the estimation philosophy was independent with signal timing changes and provided the potential to cooperate with advanced strategies for signal control. Some issues concerning field implementation are also discussed.

Traffic queue estimation for metered motorway on-ramps through use of loop detector time occupancies

The primary objective of this study is to develop a robust queue estimation algorithm for motorway on-ramps. Real-time queue information is a vital input for dynamic queue management on metered on-ramps. Accurate and reliable queue information enables the management of on-ramp queue in an adaptive manner to the actual traffic queue size and thus minimises the adverse impacts of queue flush while increasing the benefit of ramp metering. The proposed algorithm is developed based on the Kalman filter framework. The fundamental conservation model is used to estimate the system state (queue size) with the flow-in and flow-out measurements. This projection results are updated with the measurement equation using the time occupancies from mid-link and link-entrance loop detectors. This study also proposes a novel single point correction method. This method resets the estimated system state to eliminate the counting errors that accumulate over time. In the performance evaluation, the proposed algorithm demonstrated accurate and reliable performances and consistently outperformed the benchmarked Single Occupancy Kalman filter (SOKF) method. The improvements over SOKF are 62% and 63% in average in terms of the estimation accuracy (MAE) and reliability (RMSE), respectively. The benefit of the innovative concepts of the algorithm is well justified by the improved estimation performance in congested ramp traffic conditions where long queues may significantly compromise the benchmark algorithm’s performance.

Studies in power hardware in the loop (PHIL) simulation using real-time digital simulator (RTDS)

In power hardware in the loop (PHIL) simulations, a real-time simulated power system is interfaced to a piece of hardware, usually called hardware under test (HuT). A PHIL test can be realized using several simulation tools. Among them Real Time Digital Simulator (RTDS) is an ideal tool to perform complex power system simulations in near real-time. Stable operation of the entire system, along with the accuracy of simulation results are the main concerns regarding a PHIL simulation. In this paper, a simulated power network on RTDS will be interfaced to HuT through a voltage source converter (VSC). Issues around stability and other interface problems are studied and a new method to stabilize some unstable PHIL cases is proposed. PHIL simulation results in PSCAD and RSCAD are presented.

Gravity-driven fingering simulations for a thin liquid film flowing down the outside of a vertical cylinder

A numerical study is presented to examine the fingering instability of a gravity-driven thin liquid film flowing down the outer wall of a vertical cylinder. The lubrication approximation is employed to derive an evolution equation for the height of the film, which is dependent on a single parameter, the dimensionless cylinder radius. This equation is identified as a special case of that which describes thin film flow down an inclined plane. Fully three-dimensional simulations of the film depict a fingering pattern at the advancing contact line. We find the number of fingers observed in our simulations to be in excellent agreement with experimental observations and a linear stability analysis reported recently by Smolka & SeGall (Phys Fluids 23, 092103 (2011)). As the radius of the cylinder decreases, the modes of perturbation have an increased growth rate, thus increasing cylinder curvature partially acts to encourage the contact line instability. In direct competition with this behaviour, a decrease in cylinder radius means that fewer fingers are able to form around the circumference of the cylinder. Indeed, for a sufficiently small radius, a transition is observed, at which point the contact line is stable to transverse perturbations of all wavenumbers. In this regime, free surface instabilities lead to the development of wave patterns in the axial direction, and the flow features become perfectly analogous to the two-dimensional flow of a thin film down an inverted plane as studied by Lin & Kondic (Phys Fluids 22, 052105 (2010)). Finally, we simulate the flow of a single drop down the outside of the cylinder. Our results show that for drops with low volume, the cylinder curvature has the effect of increasing drop speed and hence promoting the phenomenon of pearling. On the other hand, drops with much larger volume evolve to form single long rivulets with a similar shape to a finger formed in the aforementioned simulations.

2-[(3,3-Dimethylindolin-2-ylidene)methyl]-4-[(3,3-dimethyl-3H-indol-1-ium-2-yl)methylidene]-3-oxocyclobut-1-en-1-olate chloroform disolvate

In the title squaraine dye solvate, C26H24N2O2·2CHCl3, the dye molecule is essentially planar, except for the methyl groups, having a maximum deviation over the 26-membered delocalized bond system of 0.060 (2) Å. It possesses crystallographic twofold rotational symmetry with the indole ring systems adopting a syn conformation. The molecular structure features intramolecular N-HO hydrogen bonds enclosing conjoint S7 ring motifs about one of the dioxocyclobutene O atoms, while the two chloroform solvent molecules are linked to the second O atom through C-HO hydrogen bonds.