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At least 325 records · Page 18

Site-Projected Thermal Conductivity: Application to Defects, Interfaces, and Homogeneously Disordered Materials

With the rapid advance of high-performance computing and electronic technologies, understanding thermal conductivity in materials has become increasingly important. This study presents a novel method: the site-projected thermal conductivity that quantitatively estimates the local (atomic) contribution to heat transport, leveraging the Green–Kubo thermal transport equations. The effectiveness of this approach on disordered and amorphous graphene, amorphous silicon, and grain boundaries in silicon–germanium alloys is demonstrated. Amorphous graphene reveals a percolation behavior for thermal transport. The results highlight the potential of the method to provide new insights into the thermal behavior of materials, offering a promising avenue for materials design and performance optimization.

36 MATERIALS SCIENCE↗

Construction of a Piezoresistive Neural Sensor Array

The construction of a piezoresistive - piezoelectric sensor (or actuator) array is proposed using 'neural' connectivity for signal recognition and possible actuation functions. A closer integration of the sensor and decision functions is necessary in order to achieve intrinsic identification within the sensor. A neural sensor is the next logical step in development of truly 'intelligent' arrays. This proposal will integrate 1-3 polymer piezoresistors and MLC electroceramic devices for applications involving acoustic identification. The 'intelligent' piezoresistor -piezoelectric system incorporates printed resistors, composite resistors, and a feedback for the resetting of resistances. A model of a design is proposed in order to simulate electromechanical resistor interactions. The goal of optimizing a sensor geometry for improving device reliability, training, & signal identification capabilities is the goal of this work. At present, studies predict performance of a 'smart' device with a significant control of 'effective' compliance over a narrow pressure range due to a piezoresistor percolation threshold. An interesting possibility may be to use an array of control elements to shift the threshold function in order to change the level of resistance in a neural sensor array for identification, or, actuation applications. The proposed design employs elements of: (1) conductor loaded polymers for a 'fast' RC time constant response; and (2) multilayer ceramics for actuation or sensing and shifting of resistance in the polymer. Other material possibilities also exist using magnetoresistive layered systems for shifting the resistance. It is proposed to use a neural net configuration to test and to help study the possible changes required in the materials design of these devices. Numerical design models utilize electromechanical elements, in conjunction with structural elements in order to simulate piezoresistively controlled actuators and changes in resistance of sensors. The construction of these devices may show significant improvement in ability to interrogate signals and in the control of effective compliance. This work focuses on the development a variety of series/parallel interconnected piezoresistive control elements for the neural sensing function.

Carlson, W. B.↗

Mechanical design engineering. NASA/university advanced design program: Lunar Bulk Material Transport Vehicle

The design of a Lunar Bulk Material Transport Vehicle (LBMTV) is discussed. Goals set in the project include a payload of 50 cubic feet of lunar soil with a lunar of approximately 800 moon-pounds, a speed of 15 mph, and the ability to handle a grade of 20 percent. Thermal control, an articulated steering mechanism, a dump mechanism, a self-righting mechanism, viable power sources, and a probable control panel are analyzed. The thermal control system involves the use of small strip heaters to heat the housing of electronic equipment in the absence of sufficient solar radiation and multi-layer insulation during periods of intense solar radiation. The entire system uses only 10 W and weighs about 60 pounds, or 10 moon-pounds. The steering mechanism is an articulated steering joint at the center of the vehicle. It utilizes two actuators and yields a turning radius of 10.3 feet. The dump mechanism rotates the bulk material container through an angle of 100 degree using one actuator. The self-righting mechanism consists of two four bar linkages, each of which is powered by the same size actuator as the other linkages. The LBMTV is powered by rechargeable batteries. A running time of at least two hours is attained under a worst case analysis. The weight of the batteries is 100 pounds. A control panel consisting of feedback and control instruments is described. The panel includes all critical information necessary to control the vehicle remotely. The LBMTV is capable of handling many types of cargo. It is able to interface with many types of removable bulk material containers. These containers are made to interface with the three-legged walker, SKITTER. The overall vehicle is about 15 feet in length and has a weight of about 1000 pounds, or 170 lunar pounds.

Daugherty, Paul↗

NASA/CARES dual-use ceramic technology spinoff applications

NASA has developed software that enables American industry to establish the reliability and life of ceramic structures in a wide variety of 21st Century applications. Designing ceramic components to survive at higher temperatures than the capability of most metals and in severe loading environments involves the disciplines of statistics and fracture mechanics. Successful application of advanced ceramics material properties and the use of a probabilistic brittle material design methodology. The NASA program, known as CARES (Ceramics Analysis and Reliability Evaluation of Structures), is a comprehensive general purpose design tool that predicts the probability of failure of a ceramic component as a function of its time in service. The latest version of this software, CARESALIFE, is coupled to several commercially available finite element analysis programs (ANSYS, MSC/NASTRAN, ABAQUS, COSMOS/N4, MARC), resulting in an advanced integrated design tool which is adapted to the computing environment of the user. The NASA-developed CARES software has been successfully used by industrial, government, and academic organizations to design and optimize ceramic components for many demanding applications. Industrial sectors impacted by this program include aerospace, automotive, electronic, medical, and energy applications. Dual-use applications include engine components, graphite and ceramic high temperature valves, TV picture tubes, ceramic bearings, electronic chips, glass building panels, infrared windows, radiant heater tubes, heat exchangers, and artificial hips, knee caps, and teeth.

Powers, Lynn M.↗

Challenges and strategies for probing the composite interface of PEM electrolyzers and fuel cells using operando AP-XPS

Left: cross-section schematic of a membrane electrode assembly, the working electrode changing state with applied potential. Center: the operando cell design that enables snapshot data acquisition during trajectory movement. Right: resulting spectra. Understanding the surface chemistry of electrocatalyst systems under operando conditions is central to revealing the electrocatalytic cell's working mechanisms. Determination of these catalytic processes on a molecular scale and the involved components is fundamental to streamlining material design for energy conversion and storage applications. X-ray photoelectron spectroscopy (XPS) is an established technique used to study the chemical and electronic states of materials. While the surface sensitivity of XPS is typically high, use of tender X-ray energies and technical advancements have allowed for the direct probing of solid–vapor and solid–liquid interfaces. However, protocols and documentation of experimental considerations for operando XPS probing of working electrolyzers and fuel cells remain scarce. Herein, we report an approach for the study of working polymer electrolyte membrane (PEM) electrolysis cells using ambient pressure X-ray photoelectron spectroscopy (AP-XPS). This approach directly probes the composite electrode surface on the membrane electrode assembly (MEA) in 100% relative humidity to establish a meaningful liquid layer for electrocatalysis. We carry out a systematic investigation from the cell constituent components to a fully assembled working operando electrolytic system and establish a method for AP-XPS study of the complex composite MEA, providing recommendations for data acquisition and component analysis.

Hamlyn, Rebecca↗

Dendritic web-type solar cell mini-modules

Twenty-five minimodules composed of dendritic web solar cells with nominal glass size of 12 by 40 cm were provided for study. The modules were identical with respect to design, materials, and manufacturing and assembly processes to full scale modules. The modules were also electrically functional. These minimodules were fabricated to provide test vehicle for environmental testing and to assess reliability of process and design procedures. The module design and performance are outlined.

Campbell, R. B.↗

Composite materials for space applications

The objectives of the program were to: generate mechanical, thermal, and physical property test data for as-fabricated advanced materials; design and fabricate an accelerated thermal cycling chamber; and determine the effect of thermal cycling on thermomechanical properties and dimensional stability of composites. In the current program, extensive mechanical and thermophysical property tests of various organic matrix, metal matrix, glass matrix, and carbon-carbon composites were conducted, and a reliable database was constructed for spacecraft material selection. Material property results for the majority of the as-fabricated composites were consistent with the predicted values, providing a measure of consolidation integrity attained during fabrication. To determine the effect of thermal cycling on mechanical properties, microcracking, and thermal expansion behavior, approximately 500 composite specimens were exposed to 10,000 cycles between -150 and +150 F. These specimens were placed in a large (18 cu ft work space) thermal cycling chamber that was specially designed and fabricated to simulate one year low earth orbital (LEO) thermal cycling in 20 days. With this rate of thermal cycling, this is the largest thermal cycling unit in the country. Material property measurements of the thermal cycled organic matrix composite laminate specimens exhibited less than 24 percent decrease in strength, whereas, the remaining materials exhibited less than 8 percent decrease in strength. The thermal expansion response of each of the thermal cycled specimens revealed significant reduction in hysteresis and residual strain, and the average CTE values were close to the predicted values.

Rawal, Suraj P.↗

Design Guide for Aerodynamics Testing of Earth and Planetary Entry Vehicles in a Ballistic Range

The purpose of this manual is to aid in the design of an aerodynamics test of an earth or planetary entry capsule in a ballistic range. In this manual, much use is made of the results and experience gained in 50 years of ballistic range aerodynamics testing at the NASA Ames Research Center, and in particular, that gained in the last 27 years, while the author was working at NASA Ames. The topics treated herein include: Data to be obtained; flight data needed to design test; Reynolds number and dynamic similarity of flight trajectory and ballistic range test; capabilities of various ballistic ranges; Calculations of swerves due to average and oscillating lift and of drag-induced velocity decreases; Model and sabot design; materials, weights and stresses; Sabot separation; Launches at angle of attack and slapping with paper to produce pitch/yaw oscillations.

Test Design↗

Decoding the Effect of Anion Identity on the Solubility of N -(2-(2-Methoxyethoxy)ethyl)phenothiazine (MEEPT)

Variations in the solubility of redox-active organic molecules (ROM) of interest for nonaqueous redox flow batteries (RFB), especially as the ROM state-of-charge changes during charge-discharge cycling, present significant molecular design challenges. The situation is further complicated as ROM solubility can be regulated by the choice of electrolyte salt and solvent that together with the ROM comprise the catholyte or anolyte (redox electrolyte) formulation, presenting materials design challenges. The ROM N-(2-(2-methoxyethoxy)ethyl)phenothiazine (MEEPT) is a viscous liquid at room temperature and is miscible in several organic solvents, including acetonitrile and propylene carbonate. The MEEPT radical cation (MEEPT +· ) paired with tetrafluoroborate (BF 4 - ) in acetonitrile presents a 0.5 M solubility, a dramatic decrease when compared to the viscous liquid of neutral MEEPT. Here, in this study, we present a joint experimental, regression modeling, and molecular dynamics (MD) simulations investigation to explore MEEPT-X (where X represents the counteranion) salt solubility variability as a function of concentration and counteranion chemistry in acetonitrile. We find a strong dependence of the salt solubility on the counteranion and relate these findings to explicit intermolecular interactions between MEEPT +· and the counteranion in the electrolyte solution.

Perera, Anton S. [Univ. of Kentucky, Lexington, KY↗

Examination of design options for 35 Ah ambient temperature Li-TiS sub 2 cells

The Jet Propulsion Laboratory is actively engaged in the development of ambient temperature rechargable lithium cells for future NASA geosynchronous Earth orbit (GEO) missions. To achieve these ambitious goals, Li-TiS2, Li-MoS3, and Li-V6O13 systems were examined in detail. Among these three, the Li-TiS2 system has shown the longest life cycle and highest rate capability. Experimental Li-TiS2 batteries (10.5 V, 0.4 Ah) developed in-house have completed eight simulated and accelerated GEO seasons successfully. Inview of the encouraging results, the design options were examined for a scaled-up Li-TiS2 cell. It is hoped that the results of these studies will provide guidelines for prioritizing the research efforts and guiding the selection of optimized materials. Designs for 35 Ah Li-TiS2 cell were examined because present day geosynchronous satellites are powered by batteries of 35 Ah capacity. A computer program was developed to evaluate the influence of various design parameters on the specific energy and the rate capability of the cells.

Shen, D. H.↗

Probability techniques for reliability analysis of composite materials

Traditional design approaches for composite materials have employed deterministic criteria for failure analysis. New approaches are required to predict the reliability of composite structures since strengths and stresses may be random variables. This report will examine and compare methods used to evaluate the reliability of composite laminae. The two types of methods that will be evaluated are fast probability integration (FPI) methods and Monte Carlo methods. In these methods, reliability is formulated as the probability that an explicit function of random variables is less than a given constant. Using failure criteria developed for composite materials, a function of design variables can be generated which defines a 'failure surface' in probability space. A number of methods are available to evaluate the integration over the probability space bounded by this surface; this integration delivers the required reliability. The methods which will be evaluated are: the first order, second moment FPI methods; second order, second moment FPI methods; the simple Monte Carlo; and an advanced Monte Carlo technique which utilizes importance sampling. The methods are compared for accuracy, efficiency, and for the conservativism of the reliability estimation. The methodology involved in determining the sensitivity of the reliability estimate to the design variables (strength distributions) and importance factors is also presented.

Wetherhold, Robert C.↗

Recyclable Materials for Resource Constrained Environments

In-space manufacturing exhibits severe limitations in resources as astronauts are only afforded with the materials that are brought on-board the space craft. Consequently, the use of recyclable and re-usable materials is paramount. Researchers at NLR leverage their expertise in polymer and recycling chemistry to develop material systems capable of high performance applications with intentional consideration on multi-life use through chemical recycling, mechanical recycling, bio-degradation, and thermoforming. Disclosed within this poster presentation are highlighted projects that illustrate several recyclable by design material systems that have been developed.

09 BIOMASS FUELS↗

Engineering of Novel Biocolloid Suspensions

Colloidal suspensions are materials with a variety of uses from cleaners and lubricants to food, cosmetics, and coatings. In addition, they can be used as a tool for testing the fundamental tenets of statistical physics. Colloidal suspensions can be synthesized from a wide variety of materials, and in the form of monodisperse particles, which can self-assemble into highly ordered colloidal crystal structures. As such they can also be used as templates for the construction of highly ordered materials. Materials design of colloids has, to date, relied on entropic self-assembly, where crystals form as result of lower free energy due to a transition to order. Here, our goal is to develop a completely new method for materials fabrication using colloidal precursors, in which the self-assembly of the ordered colloidal structures is driven by a highly controllable, attractive interaction. This will greatly increase the range of potential structures that can be fabricated with colloidal particles. In this work, we demonstrate that colloidal suspensions can be crosslinked through highly specific biological crosslinking reactions. In particular, the molecules we use are protein-carbohydrate interactions derived from the immune system. This different driving force for self-assembly will yield different and novel suspensions structures. Because the biological interactions are heterotypic (A binding to B), this chemical system can be used to make binary alloys in which the two colloid subpopulations vary in some property - size, density, volume fraction, magnetic susceptibility, etc. An additional feature of these molecules which is unique - even within the realm of biological recognition - is that the molecules bind reversibly on reasonable time-scales, which will enable the suspension to sample different configurations, and allow us to manipulate and measure the size of the suspension dynamically. Because of the wide variety of structures that can be made from these novel colloids, and because the suspension structure can be altered dynamically, we believe this biocolloid system will yield a novel set of materials with many technological applications, including sensors (both biological and non-biological), optical filters and separation media.

Hammer, D. A.↗

Local Structural Coherence and Interfacial Charge Transfer in Cu 2 ⁢S/Mo⁢S 2 Heterostructure

Precise control over electronic coupling at nanoscale interfaces is critical for designing materials with tunable charge-transfer behavior and catalytic function. Heterostructures with locally coherent interfaces provide a platform for interrogating interfacial charge redistribution in coupled material systems. Here, we report Cu 2 ⁢S/Mo⁢S 2 heterostructures exhibiting nanoscale crystallographic alignment, which are synthesized through a rapid thermal transformation pathway. We employed electrochemical reduction reactions to probe interfacial charge transfer, revealing shifts in product distribution attributable to modified interfacial energetics, even in the absence of optimized catalytic performance. The observed formate Faradaic efficiency suggests that interfacial electronic modulation in the heterostructure shifts product selectivity towards formate, highlighting how interface-driven electronic modulation can direct reaction pathways and influence product selectivity. Optimizing catalyst loading, architecture, and reactor configuration will be critical for future improvement. Structural and compositional integrity were confirmed through powder x-ray diffraction, x-ray photoelectron spectroscopy, and high-resolution transmission electron microscopy. Electron transfer between Cu 2 ⁢S and Mo⁢S 2 domains was further evaluated by electrochemical impedance spectroscopy, while selected-area electron diffraction revealed local crystallographic alignment consistent with a local epitaxial relationship at the Cu 2 S/Mo⁢S 2 heterointerface. To illustrate the broader applicability of this approach, a Zn⁢S/Mo⁢S 2 heterostructure was also synthesized using the same microwave strategy, confirming the generalizability of interfacial engineering principles across metal sulfide-Mo⁢S 2 systems. Collectively, these findings demonstrate that controlled local epitaxial alignment serves as an effective design principle for tuning interfacial energetics and catalytic reactivity in complex heterostructure materials.

carbon capture & utilization↗

Analytically differentiable metrics for phase stability

Here, in this work, a long-established but sparsely documented method of obtaining semi-analytic derivatives of thermodynamic properties with respect to equilibrium conditions is briefly reviewed and rigorously derived. This procedure is then leveraged to construct general forms of derivatives of the residual driving force, a metric for measuring phase stability used in CALPHAD model optimization, with respect to overall system and individual phase compositions. Applied examples – calculating heat capacity in the Al-Fe system, thermodynamic factors in the Nb-V-W system, and residual driving force derivatives in the Ni-Ti system – demonstrate the versatility, accuracy, and extensibility of this method. Using the developed method, residual driving force gradients can be applied directly in CALPHAD model optimizers, as well as in materials design frameworks, to identify regions of phase stability with an efficient, gradient-based approach.

36 MATERIALS SCIENCE↗

Final Technical Report

The capture of CO2 and its simultaneously conversion to useful chemical fuels driven by solar energy represents one of the best solutions to resolve our growing energy and environmental concerns. The most critical challenge to this endeavor is the rational design of a photocatalytic architecture that can effectively couple a given photosensitizer (PS) with an appropriate catalyst, thereby enabling efficient photosensitization of a multi-electron reduction catalysis. This research program aims to address this challenge using an interdisciplinary approach that combines innovative material design and synthesis, fundamental mechanistic studies, and photocatalytic performance evaluation. The strategies include 1) constructing and investigating a novel class of 2D COF hybrid photocatalysts with an effective photoactive organic building block as PS and a precisely incorporated CO2 reduction molecular catalyst (MC); and 2) mechanistic origins of CO2 photoreduction using a set of complementary time-resolved and in situ spectroscopic techniques. The novelty of the proposed hybrid system lies in the unprecedented combination of the unique advantage of porous crystalline COF PS with the precise catalytic function of MC for photocatalytic CO2 reduction. In the periods of the support (09/01/2019-12/31/2022), we have made research progress in four projects: 1) Exploring 2D COFs with incorporated Mn complex for light driven CO2 reduction; 2) The dependence of excited state and charge transfer dynamics on monomer structure of 2D COFs; and 3) Control over Charge Separation by Imine Structural Isomerization in Covalent Organic Frameworks with Implications on CO2 Photoreduction; and 4) The impact of monomer structure on the photoluminescence properties of COFs. We found that both monomer structure and linker chemistry can effectively impact the excited state dynamics, charge transfer properties, and photoluminescence quantum yields, the important properties that dictate their applications in photocatalysis. In addition, we found that the direction of imine linker determines charge transfer direction and thus controls the types of catalytic reactions (e.g. water oxidation or CO2 reduction reactions). The result from these fundamental studies provides important information for correlating the structure of the COF photocatalysts with their photophysical properties and catalytic functions, paving the way for their novel application in photocatalysis. We expect that our findings will contribute to addressing current shortcomings of semiconductor- and molecular-based photocatalytic systems that suffer from inefficient light harvesting and charge separation and poor adsorption and activation of reactants. In turn, this research will contribute towards the development of novel photocatalytic systems for CO2 reduction to generate renewable chemical fuels and simultaneously address the problem of mitigating climate change due to CO2 accumulation. In addition, the experimental approaches employed in this research can be easily transferred to other energy technologies and are expected to broadly impact fields involving photocatalysis, optoelectronic devices, and solar energy conversion. The proposed research has also been integrated with educational activities and serve as a basis to raise awareness around the critical issues of global energy production and consumption, and to develop the next generation of solar energy scientists.

14 SOLAR ENERGY↗

Low-Cost Sulfur Thermal Storage for Solar Industrial Process Heat Applications

Industrial process heat (IPH) is one of the largest energy demands in U.S., representing about 10% of all domestic energy consumption. Fuel costs to generate this industrial process heat are generally a top three cost for industry, a major component in American manufacturing competitiveness. Roughly 60% of US IPH demand (about 6,500 TBtu annually) falls in the medium-temperature range of 100–250 °C. While concentrated solar thermal (CST) technologies can provide a cost-effective source of heat in this temperature range, solar intermittency limits their adoption in industries that operate 24/7. Element 16 Technologies, Inc. developed a low-cost sulfur thermal energy storage (TES) technology to bridge this gap by capturing excess solar heat during the day and dispatching it reliably during non-solar hours. The core innovation is the use of sulfur, an abundant, industrial waste byproduct that costs ten times less than molten salt used in commercial TES systems. The overall goal of the project was to advance the design and development of molten sulfur TES to a manufacturing-relevant prototype stage for solar industrial process heat applications, while establishing and validating a realistic pathway to commercial success. Key tasks included corrosion and mechanical durability testing to identify cost-effective materials, design investigations using physics-based simulation tools, techno-economic evaluations of system lifetime costs, and pilot-scale testing for performance verification. Corrosion testing of steel alloys under cyclic molten sulfur conditions showed that austenitic stainless steels in the 300 series performed particularly well, with no structural degradation of welds or joints. Thermal cyclic testing of pilot sulfur TES units up to 1.5 MWh quantified charge/discharge rates, heat losses, round-trip efficiency and validated the system's capability to operate effectively under intermittent charging conditions. A techno-economic model, informed by sulfur TES performance model validated using pilot test data, showed that hybrid solar+sulfur TES+NG boiler systems are economically competitive with incumbent natural gas boilers for multiple locations in the southwest US. In summary, this project established molten sulfur TES as a technically viable pathway to improve economic competitiveness of American manufacturing by lowering the cost of solar industrial process heat.

14 SOLAR ENERGY↗

Environmental Effects on ISS Materials Aging (1998 to 2008)

The performance of ISS spacecraft materials and systems on prolonged exposure to the low- Earth orbit (LEO) space flight are reported in this paper. In-flight data, flight crew observations, and the results of ground-based test and analysis directly supporting programmatic and operational decision-making are described. The space flight environments definitions (both natural and induced) used for ISS design, material selection, and verification testing are shown, in most cases, to be more severe than the actual flight environment accounting, in part, for the outstanding performance of ISS as a long mission duration spacecraft. No significant ISS material or system failures have been attributed to spacecraft-environments interactions. Nonetheless, ISS materials and systems performance data is contributing to our understanding of spacecraft material interactions with the spaceflight environment so as to reduce cost and risk for future spaceflight projects and programs. Orbital inclination (51.6 deg) and altitude (nominally near 360 km) determine the set of natural environment factors affecting the functional life of materials and systems on ISS. ISS operates in an electrically conducting environment (the F2 region of Earth s ionosphere) with well-defined fluxes of atomic oxygen, other charged and neutral ionospheric plasma species, solar UV, VUV, and x-ray radiation as well as galactic cosmic rays, trapped radiation, and solar cosmic rays. The LEO micrometeoroid and orbital debris environment is an especially important determinant of spacecraft design and operations. The magnitude of several environmental factors varies dramatically with latitude and longitude as ISS orbits the Earth. The high latitude orbital environment also exposes ISS to higher fluences of trapped energetic electrons, auroral electrons, solar cosmic rays, and galactic cosmic rays than would be the case in lower inclination orbits, largely as a result of the overall shape and magnitude of the geomagnetic field. As a result, ISS exposure to many environmental factors can vary dramatically along a particular orbital ground track, and from one ground track to the next, during any 24-hour period. The induced environment results from ISS interactions with the natural environment as well as environmental factors produced by ISS itself and visiting vehicles fleet. Examples include ram-wake effects, hypergolic thruster plume impingement, materials out-gassing, venting and dumping of fluids, and specific photovoltaic (PV) power system interactions with the ionospheric plasma (7-11). Vehicle size (L) and velocity (V), combined with the magnitude and direction of the geomagnetic field (B) produce operationally significant magnetic induction voltages (VxB.L) in ISS conducting structure during flight through high latitudes (> +45deg) during each orbit. Finally, an induced ionizing radiation environment is produced by cosmic ray interaction with the relatively thick ISS structure and shielding materials. The intent of this review article is, therefore, to provide a summary of selected aspects and elements of the ISS vehicle with regard to LEO space environment effects, associated with the much larger and more complicated vehicle that ISS has become since 1998, but also with an eye towards performance life extension to the year 2016 and beyond.

Alred, John↗