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The evolution of contact prediction: Evidence that contact selection in statistical contact prediction is changing
Over the last few years, the field of protein structure prediction has been transformed by increasingly-accurate contact prediction software. These methods are based on the detection of coevolutionary relationships between residues from multiple sequence alignments. However, despite speculation, there is little evidence of a link between contact prediction and the physico-chemical interactions which drive amino-acid coevolution. Furthermore, existing protocols predict only a fraction of all protein contacts and it is not clear why some contacts are favoured over others. Using a dataset of 863 protein domains, we assessed the physico-chemical interactions of contacts predicted by CCMpred, MetaPSICOV, and DNCON2, as examples of direct coupling analysis, meta-prediction, and deep learning. We considered correctly-predicted contacts and compared their properties against the protein contacts that were not predicted. Predicted contacts tend to form more bonds than non-predicted contacts, which suggests these contacts may be more important than contacts that were not predicted. Comparing the contacts predicted by each method, we found that metaPSICOV and DNCON2 favour accuracy whereas CCMPred detects contacts with more bonds. This suggests that the push for higher accuracy may lead to a loss of physico-chemically important contacts. These results underscore the connection between protein physico-chemistry and the coevolutionary couplings that can be derived from multiple sequence alignments. This relationship is likely to be relevant to protein structure prediction and functional analysis of protein structure and may be key to understanding their utility for different problems in structural biology. We use publicly-available databases. Our code is available for download at http://opig.stats.ox.ac.uk/.
The formation mechanism for printed silver-contacts for silicon solar cells
Screen-printing provides an economically attractive means for making Ag electrical contacts to Si solar cells, but the use of Ag substantiates a significant manufacturing cost, and the glass frit used in the paste to enable contact formation contains Pb. To achieve optimal electrical performance and to develop pastes with alternative, abundant, and non-toxic materials requires understanding the contact formation process during firing. Here, we use in-situ X-ray diffraction during firing to reveal the reaction sequence. The findings suggest that between 500 degrees C and 650 degrees C PbO in the frit etches the SiNx antireflective-coating on the solar cell, exposing the Si surface. Then, above 650 degrees C, Ag+ dissolves into the molten glass frit -- key for enabling deposition of metallic Ag on the emitter surface and precipitation of Ag nanocrystals within the glass. Ultimately, this work clarifies contact formation mechanisms and suggests approaches for development of inexpensive, nontoxic solar cell contacting pastes.
Field-gradient partitioning for fracture and frictional contact in the material point method: Field-gradient partitioning for fracture and frictional contact in the material point method [Fracture and frictional contact in material point method using damage-field gradients for velocity-field partitioning]
Contact and fracture in the material point method require grid-scale enrichment or partitioning of material into distinct velocity fields to allow for displacement or velocity discontinuities at a material interface. We present a new method which a kernel-based damage field is constructed from the particle data. The gradient of this field is used to dynamically repartition the material into contact pairs at each node. Our approach avoids the need to construct and evolve explicit cracks or contact surfaces and is therefore well suited to problems involving complex 3-D fracture with crack branching and coalescence. A straightforward extension of this approach permits frictional ‘self-contact’ between surfaces that are initially part of a single velocity field, enabling more accurate simulation of granular flow, porous compaction, fragmentation, and comminution of brittle materials. Finally, numerical simulations of self contact and dynamic crack propagation are presented to demonstrate the accuracy of the approach.
A Metastable Contact and Structural Disorder in the Estrogen Receptor Transactivation Domain
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Tunnel oxide passivated contacts formed by ion implantation for applications in silicon solar cells
Passivated contacts (poly-Si/SiO{sub x}/c-Si) doped by shallow ion implantation are an appealing technology for high efficiency silicon solar cells, especially for interdigitated back contact (IBC) solar cells where a masked ion implantation facilitates their fabrication. This paper presents a study on tunnel oxide passivated contacts formed by low-energy ion implantation into amorphous silicon (a-Si) layers and examines the influence of the ion species (P, B, or BF{sub 2}), the ion implantation dose (5 × 10{sup 14 }cm{sup −2} to 1 × 10{sup 16 }cm{sup −2}), and the subsequent high-temperature anneal (800 °C or 900 °C) on the passivation quality and junction characteristics using double-sided contacted silicon solar cells. Excellent passivation quality is achieved for n-type passivated contacts by P implantations into either intrinsic (undoped) or in-situ B-doped a-Si layers with implied open-circuit voltages (iV{sub oc}) of 725 and 720 mV, respectively. For p-type passivated contacts, BF{sub 2} implantations into intrinsic a-Si yield well passivated contacts and allow for iV{sub oc} of 690 mV, whereas implanted B gives poor passivation with iV{sub oc} of only 640 mV. While solar cells featuring in-situ B-doped selective hole contacts and selective electron contacts with P implanted into intrinsic a-Si layers achieved V{sub oc} of 690 mV and fill factor (FF) of 79.1%, selective hole contacts realized by BF{sub 2} implantation into intrinsic a-Si suffer from drastically reduced FF which is caused by a non-Ohmic Schottky contact. Finally, implanting P into in-situ B-doped a-Si layers for the purpose of overcompensation (counterdoping) allowed for solar cells with V{sub oc} of 680 mV and FF of 80.4%, providing a simplified and promising fabrication process for IBC solar cells featuring passivated contacts.
Capillary spreading of contact line over a sinking sphere
The contact line dynamics over a sinking solid sphere are investigated in comparison with classical spreading theories. Experimentally, high-speed imaging systems with optical light or x-ray illumination are employed to accurately measure the spreading motion and dynamic contact angle of the contact line. Millimetric spheres are controlled to descend with a constant speed ranging from 3.2 x 10 4 to 0.79 m/s. We observed three different spreading stages over a sinking sphere, which depends on the contact line velocity and contact angle. These stages consistently showed the characteristics of capillarity-driven spreading as the contact line spreads faster with a higher contact angle. The contact line velocity is observed to follow a classical capillary-viscous model at a higher Ohnesorge number (> 0.02). For the cases with a relatively low Ohnesorge number (< 0.02), the contact line velocity is significantly lower than the speed predicted by the capillary-viscous balance. This indicates the existence of an additional opposing force (inertia), which is a similar transition from capillary viscous to capillary-inertia balances found in drop-impact dynamics. Additionally, we observed the linear relation between the contact line velocity and the sphere sinking speed during the second stage, in which the contact line inertia is balanced with the impact pressure by a sphere at high inertia regimes.
A 3D contact analysis approach for the visualization of the electrical contact asperities
The electrical contact is an important phenomenon that should be given into consideration to achieve better performance and long term reliability for the design of devices. Based upon this importance, the electrical contact interface has been visualized as a “3D Contact Map” and used in order to investigate the contact asperities. The contact asperities describe the structures above and below the contact spots (the contact spots define the 3D contact map) to the two conductors which make the contact system. The contact asperities require the discretization of the 3D microstructures of the contact system into voxels. A contact analysis approach has been developed and introduced in this paper which shows the way to the 3D visualization of the contact asperities of a given contact system. For the discretization of 3D microstructure of contact system into voxels, X-ray Computed Tomography (CT) method is used in order to collect the data of a 250 V, 16 A rated AC single pole rocker switch which is used as a contact system for investigation.
Cathode-side electrical contact and contact materials for solid oxide fuel cell stacking: A review
In a planar solid oxide fuel cell (SOFC) stack, a number of individual cells are stacked together to increase the voltage and power output. At both the cathode– and anode–interconnect interfaces, electrical contact layers are applied between the interconnect and electrodes during cell fabrication process or stack assembly to increase the electrode-interconnect contact area and to compensate for dimensional tolerance variation of the contacting components, thus minimizing ohmic contact resistance throughout the stack. As such, electrical contact is an essential component in SOFC stacks. In this paper, we review the cathode-side electrical contact design and contact materials for application in SOFC stacks. Following an introduction of the function and working principles of electrical contact, the material requirements for cathode-side contact layer in SOFC stacks are outlined. Additionally, the current materials for the cathode–interconnect contact are thoroughly reviewed, including noble metals, conductive ceramics (e.g. perovskites and spinels), composites, and other more complex structures. Several potential directions for cathode–interconnect contact material research and development are also highlighted.
High current density, low contact resistance wide bandgap contacts
A high current density, low contact resistance contact for wide bandgap (WBG) or ultra-wide bandgap materials (UWBG) is disclosed. The contact is lithographically formed so that a total perimeter length of the contact structure is at least twice the length of the side of a contact pad closest to the gate in a high electron mobility transistor (HEMT). The contact structure may take the form of a plurality of columns having various cross-sectional shapes, or may take the form of a convoluted geometrical shape, such as a comb-like, serpentine, or spiral shape. The depth of the contact structure permits direct contact with the two-dimensional electron gas (2DEG) in the HEMT by the perimeter of the contact structure. The contact structure is formed of at least one metal layer, at least one doped material regrown layer, or at least one implanted region. The contact structure may be applied to other WBG and UWBG devices.
Estimating the Contact Endurance of the AISI 321 Stainless Steel Under Contact Gigacycle Fatigue Tests
Mechanical testing of the AISI 321 corrosion resistant austenitic steel for contact gigacycle fatigue has been conducted with the application of a new method of contact fatigue testing with ultrasonic frequency of loading according to a pulsing impact “plane-to-plane” contact scheme. It has been found that the contact endurance (the ability to resist the fatigue spalling) of the AISI 321 steel under contact gigacycle fatigue loading is determined by its plasticity margin and the possibility of additional hardening under contact loading. It is demonstrated that the appearance of localized deep and long areas of spalling on a material surface can serve as a qualitative characteristic for the loss of the fatigue strength of the AISI 321 steel under impact contact fatigue loading. The value of surface microhardness measured within contact spots and the maximum depth of contact damages in the peripheral zone of contact spots can serve as quantitative criteria for that purpose.
Pressure Drop with Moving Contact Lines and Dynamic Contact Angles in a Hydrophobic Round Minichannel: Visualization via Synchrotron X-ray Imaging and Verification of Experimental Correlations
In hydrophobic mini- and microchannels, slug flow with moving contact lines is typically generated under various two-phase flow conditions. There is a significant pressure drop in this flow pattern with moving contact lines, which is closely related to the dynamic contact angles. Researchers have investigated dynamic contact angles experimentally for decades, but due to the limitations of visualization techniques, these experiments have typically been conducted in low Weber number regions (We < 10 –3 ). In this study, we clearly visualized the dynamic contact angles of a liquid slug in high Weber number regions (10 –3 < We <1) via synchrotron X-ray imaging with high temporal (~1000 fps) and spatial (~ 2 μm/pixel) resolutions. We precisely measured the pressure drop with moving contact lines in a hydrophobic minichannel (inner diameter = 1.018 mm). On the basis of our experimental data, we verified previous correlations for dynamic contact angles and explored the relationship between pressure drop with moving contact lines and dynamic contact angles.
Investigations in the tape-to-tape contact resistance and contact composition in superconducting CORC ® wires
Conductor on Round Core (CORC®) wires and cables, constructed from multiple layers of helically wound REBa 2 Cu 3 O 7–δ tapes, are a promising cable technology for high field magnet applications. An important feature of high-temperature superconductor cables is the ability to share current between conductors, allowing current to bypass drops in I c and minimizing the risk of hot spot formation, which could lead to potential burnout in the superconductor. In contrast to stacked-tape cables, which have continuous contact between tapes, in CORC® the transfer points occur at discrete tape crossovers. The tape-to-tape contact resistance, R c , plays a critical role in the current sharing capabilities and current distribution in cables. For the work reported here, special CORC® wires were manufactured using different winding parameters to investigate variations in R c . Variations comprised inclusion of a lubricant, different lubricant conductivity, inclusion of pre-tinning, and heating briefly to melt the solder. Cables were first tested as straight lengths, followed by bending to a 10 cm diameter. In straight cables R c values ranged from 1 to over 1000 μΩ cm 2 , depending on cabling parameters, with the highest values being found for cables made by the present 'standard' process. Bending the cables to a 10 cm diameter decreased R c by a factor 2–5. Tinning with PbSn decreased R c by three orders of magnitude compared to standard CORC® wires, and heat treating wires with tinned conductor resulted in only a small further decrease in R c . Based on the measured R c at an electric field of 1 μV cm –1 the resulting current transfer length between layers can range from a few millimeters to a tens of centimeters. Examination of contacts with a laser confocal microscope showed plastic deformation of the copper at the edges of the contact overlap area, apparently caused by thicker plating at tape edges digging into the copper of neighboring layers. These images reveal that only a fraction of the total contact surface may actually be touching when there is nothing to compensate for height differential. Images of the PbSn coated tapes indicated that application of solder produces a much more uniform contact surface and higher contact area. Furthermore, imaging of CORC® cross-sections confirmed that in the non-tinned cables there are many regions where tapes are not in contact, while in contrast the PbSn cable shows significantly more contact between the tapes. These different imaging techniques reveal that tape surface morphology is a significant parameter in determining R c .
Experimental investigation on the electrical contact behavior of rolling contact connector
Rolling contact connector (RCC) is a new technology utilized in high performance electric power transfer systems with one or more rotating interfaces, such as radars, satellites, wind generators, and medical computed tomography machines. Rolling contact components are used in the RCC instead of traditional sliding contacts to transfer electrical power and/or signal. Since the requirement of the power transmission is increasing in these years, the rolling electrical contact characteristics become more and more important for the long-life design of RCC. In this paper, a typical form of RCC is presented. A series of experimental work are carried out to investigate the rolling electrical contact characteristics during its lifetime. The influence of a variety of factors on the electrical contact degradation behavior of RCC is analyzed under both vacuum and air environment. Based on the surface morphology and elemental composition changes in the contact zone, which are assessed by field emission scanning electron microscope and confocal laser scanning microscope, the mechanism of rolling electrical contact degradation is discussed.
Detailed investigation of electrical and optical properties of textured n-type and roughened p-type tunnel oxide passivated contacts for screen-printed double-side passivated contact silicon solar cell application
Here, this paper presents detailed characterization and analyses of the optical, electrical, and contact properties of a 35 nm phosphorus-doped (n-type) polysilicon (poly-Si) and a 250 nm boron-doped (p-type) poly-Si deposited respectively on textured and roughed surface. These layers could be applied respectively to the front and rear sides of an n-type Si to produce back junction bifacial screen-printed double-side tunnel oxide passivated contacts (DS-TOPCon) solar cells. Optical and device modeling revealed a short circuit current density loss of 1.5 mA/cm 2 and 0.5 mA/cm 2 due to absorption in the front n-TOPCon and rear side p-TOPCon layers, respectively. The passivation and contact properties including metalized and unmetallized recombination current density (J 0 ), as well as contact resistivity, were determined as a function of contact firing temperature in the range of 700~800°C. The passivation quality of the front thin n-TOPCon was found to deteriorate with increased firing temperature while the rear thick p-TOPCon improved. The study showed that the simulated contact firing at 730°C resulted in the best unmetallized double-side TOPCon precursor, with an excellent implied open-circuit voltage of 730 mV and implied fill factor of ~86 %. However, the metalized J0 increased and contact resistivity decreased monotonically with the increase in the firing temperature. The 2D device simulations revealed that these layers can produce screen-printed DS-TOPCon cells with an efficiency of ~22.5 %. Solar cell modeling also showed that the DS-TOPCon solar cell efficiency can reach 24.1 % by decreasing the n-TOPCon thickness to 20 nm and lowering the full area metalized J 0 to ~100 mA/cm 2 .
A New Method for the Evaluation of Majority and Minority Carrier Contact Resistivity of Polysilicon on Oxide Contacts
In this contribution we present a novel technique for characterizing the majority and minority carrier contact resistivity in polysilicon on oxide passivating contacts. Traditionally, contact resistivity is measured through the Transfer Length Method (TLM). This method presents difficulties when measuring the minority carrier contact due to the presence of a blocking diode which prevents current flow between the pads. Our novel method is performed by creating a unipolar device which has the same contact on both sides (either symmetric n-type or symmetric p-type) and metalizing the device with a grid on one side, and a full metal contact on the back (the same pattern that will be used in a final cell). We then measure the resistance across the device at increasing illumination. Since the resistivity of the wafer is a function of carrier density, when increasing illumination, the wafer resistivity decreases. We can then fit modeling equations to the measured resistivity and extrapolate the fit to infinite illumination where only the contact resistivity is measured to accurately measure both the minority and majority carrier contact resistivity.