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DOE OSTI2021

Gaming the beamlines—employing reinforcement learning to maximize scientific outcomes at large-scale user facilities

Abstract Beamline experiments at central facilities are increasingly demanding of remote, high-throughput, and adaptive operation conditions. To accommodate such needs, new approaches must be developed that enable on-the-fly decision making for data intensive challenges. Reinforcement learning (RL) is a domain of AI that holds the potential to enable autonomous operations in a feedback loop between beamline experiments and trained agents. Here, we outline the advanced data acquisition and control software of the Bluesky suite, and demonstrate its functionality with a canonical RL problem: cartpole. We then extend these methods to efficient use of beamline resources by using RL to develop an optimal measurement strategy for samples with different scattering characteristics. The RL agents converge on the empirically optimal policy when under-constrained with time. When resource limited, the agents outperform a naive or sequential measurement strategy, often by a factor of 100%. We interface these methods directly with the data storage and provenance technologies at the National Synchrotron Light Source II, thus demonstrating the potential for RL to increase the scientific output of beamlines, and layout the framework for how to achieve this impact.

36 MATERIALS SCIENCE↗

NASA NTRS1985

Particle phase function measurements by a new Fiber Array Nephelometer: FAN 1

A fiber array polar nephelometer of advanced design, the FAN I is capable of in-situ phase function measurements of scattered light from man-made or natural atmospheric particles. The scattered light is measured at 100 different angles throughout 360 degrees, thus providing a potential measurement of the asymmetry of irregularly shaped particles. Phase functions can be measured at 10 to 100 Hz rates and the range of measurable single particle sizes is from 5 micron m to as large as 8mm. For particles smaller than 5 micro m the ensemble average can be measured. The FAN I is microprocessor controlled and the data may be stored on floppy disk or printed out in tabular and/or graphical form. The optical head may be separated from the computer system for operation in field or adverse conditions. Examples of laboratory measured scattering phase functions obtained with the FAN I for spherical particles is given to illustrate its measurement capabilities.

Farmer, W. M.↗

NASA NTRS2008

New Materials for Structural Composites and Protective Coatings

The objective of this Phase I project was to create novel conductive materials that are lightweight and strong enough for multiple ground support equipment and Exploration applications. The long-term goal is to combine these materials within specially designed devices to create composites or coatings with diagnostic capabilities, increased strength, and tunable properties such as transparency, electroluminescence, and fire resistance. One such technology application is a smart windows system. In such a system, the transmission of light through a window is controlled by electrical power. In the future, these materials may also be able to absorb sunlight and convert it into electrical energy to produce light, thereby creating a self-sufficient lighting system. This experiment, conducted in collaboration with the Georgia Institute of Technology, demonstrated enhancements in fabricating fiber materials from carbon nanotubes (CNT). These nanotubes were grown as forests in an ultra-high-purity chemical vapor deposition (CVD) furnace and then drawn, using novel processing techniques, into fibers and yarns that would be turned into filaments. This work was submitted to the Journal of Advanced Functional Materials. The CNT fibers were initially tested as filament materials at atmospheric pressure; however, even under high current loads, the filaments produced only random sparking. The CNT fibers were also converted into transparent, hydrophobic, and conductive sheets. Filament testing at low vacuum pressures is in progress, and the technology will be enhanced in 2008. As initial proof of the smart-windows application concept, the use of CNT sheets as composites/ protective coatings was demonstrated in collaboration with Nanocomp Technologies of Concord, New Hampshire.

Source record↗

DOE OSTI2021

Manipulation of Exciton Dynamics in Single-Layer WSe 2 Using a Toroidal Dielectric Metasurface

Recent advances in emerging atomically thin transition metal dichalcogenide semiconductors with strong light–matter interactions and tunable optical properties provide novel approaches for realizing new material functionalities. Coupling two-dimensional semiconductors with all-dielectric resonant nanostructures represents an especially attractive opportunity for manipulating optical properties in both the near-field and far-field regimes. In this work, by integrating single-layer WSe 2 and titanium oxide (TiO 2 ) dielectric metasurfaces with toroidal resonances, we realized robust exciton emission enhancement over 1 order of magnitude at both room and low temperatures. Furthermore, we could control exciton dynamics and annihilation by using temperature to tailor the spectral overlap of excitonic and toroidal resonances, allowing us to selectively enhance the Purcell effect. Our results provide rich physical insight into the strong light–matter interactions in single-layer TMDs coupled with toroidal dielectric metasurfaces, with important implications for optoelectronics and photonics applications.

36 MATERIALS SCIENCE↗

DOE OSTI2025

On-chip terahertz emission from Floquet-Bloch states [Invited]

Floquet engineering uses time-periodic electromagnetic fields to modify the electronic properties of quantum materials via the creation of Floquet-Bloch states. These photon-dressed states inherit features from both the material and the driving field, enabling the exploration and control of quantum phenomena in light-matter hybrid systems. In non-centrosymmetric materials, shift currents can arise from the quantum geometric properties of electronic wavefunctions. However, shift currents from Floquet-Bloch states remain experimentally unexplored. Here, we employ an on-chip optoelectronic circuit to detect intrinsic terahertz emission from Floquet-Bloch states in T d -WTe 2 under intense optical driving. We observe strong edge-localized terahertz emission that scales linearly with the driving field, consistent with the theoretical prediction for shift currents generated by Floquet-Bloch states. The results advance our understanding of strongly driven quantum materials and provide insights for developing efficient, bias-free terahertz sources for future optoelectronic technologies.

Li, Xinyu [Max Planck Institute for the Structure ↗

NASA NTRS1992

NPB Cesium Space Experiment

Neutral Particle Beam (NPB) weapons systems are planned to perform the ballistic missile defense functions of nuclear weapon/decoy discrimination and warhead kill at appropriate energy levels and ion currents. Negatively charged ions are produced in a specialized ion source and focused into a high quality particle beam. NPB linear accelerators accelerate and steer the negatively charged ions using electric and magnetic fields. After acceleration and steering the neutralizer system strips away extra electrons from ions to form the electrically neutral particle beam. The neutral beam then travels through space to the target unaffected by the Earth's magnetic fields. Continuing technological advances have greatly reduced the size and weight of NPB accelerator systems. Ion current production has been enhanced by over 100 percent with the intermittent addition of cesium at the NPB ion source device. This increase in current is essential to attain the most light weight, compact NPB platforms and minimize expensive launch costs. Addition of cesium into the ion source has been identified by the NPB community as the highest priority risk reduction space experiment necessary prior to planned NPB accelerator experiments and later weapons systems. The NPB Cesium Space Experiment is planned to successfully demonstrate controlled cesium introduction and vaporization into a simulated ion source chamber. Microgravity effects on the cesium deposition will be studied as will the effects of small amounts of cesium on high voltage accelerator components that might be susceptible to electrical insulator break downs. The experiment design will simulate as closely as possible the environment, physical and operational characteristics of the actual NPB ion source.

Parsons, George M., III↗

NASA NTRS1993

Bandwidth efficient coding: Theoretical limits and real achievements. Error control techniques for satellite and space communications

In his seminal 1948 paper 'The Mathematical Theory of Communication,' Claude E. Shannon derived the 'channel coding theorem' which has an explicit upper bound, called the channel capacity, on the rate at which 'information' could be transmitted reliably on a given communication channel. Shannon's result was an existence theorem and did not give specific codes to achieve the bound. Some skeptics have claimed that the dramatic performance improvements predicted by Shannon are not achievable in practice. The advances made in the area of coded modulation in the past decade have made communications engineers optimistic about the possibility of achieving or at least coming close to channel capacity. Here we consider the possibility in the light of current research results.

Costello, Daniel J., Jr.↗

NASA NTRS1997

Selection and Characterization of Vegetable Crop Cultivars for use in Advanced Life Support Systems

Cultivar evaluation for controlled environments is a lengthy and multifaceted activity. The chapters of this thesis cover eight steps preparatory to yield trials, and the final step of cultivar selection after data are collected. The steps are as follows: 1. Examination of the literature on the crop and crop cultivars to assess the state of knowledge. 2. Selection of standard cultivars with which to explore crop response to major growth factors and determine set points for screening and, later, production. 3. Determination of practical growing techniques for the crop in controlled environments. 4. Design of experiments for determination of crop responses to the major growth factors, with particular emphasis on photoperiod, daily light integral and air temperature. 5. Developing a way of measuring yield appropriate to the crop type by sampling through the harvest period and calculating a productivity function. 6. Narrowing down the pool of cultivars and breeding lines according to a set of criteria and breeding history. 7. Determination of environmental set points for cultivar evaluation through calculating production cost as a function of set points and size of target facility. 8. Design of screening and yield trial experiments emphasizing efficient use of space. 9. Final evaluation of cultivars after data collection, in terms of production cost and value to the consumer. For each of the steps, relevant issues are addressed. In selecting standards to determine set points for screening, set points that optimize cost of production for the standards may not be applicable to all cultivars. Production of uniform and equivalent- sized seedlings is considered as a means of countering possible differences in seed vigor. Issues of spacing and re-spacing are also discussed.

Langhans, Robert W.↗

NASA NTRS2004

Sensor for Monitoring Nanodevice-Fabrication Plasmas

The term plasma process diagnostics (PPD) refers to a spectroscopic technique and sensing hardware that have been proposed for monitoring plasma processes used to fabricate electronic devices that feature sizes as small as several nanometers. Nanometer dimensions are characteristic of the quantum level of miniaturization, where single impurity atoms or molecules can drastically change the local properties of the nanostructures. Such changes may be purposely used in nanoscale design but may also be extremely damaging or cause improper operation of the fabricated devices. Determination of temperature and densities of reactants near the developing features is important, since the structural synthesis is affected by characteristics of the local microenvironment. Consequently, sensors capable of nonintrusive monitoring with high sensitivity and high resolution are essential for real-time atomistic control of reaction kinetics and minimizing trace contamination in plasma processes used to fabricate electronic nanodevices. Such process-monitoring sensors are required to be compact, multiparametric, and immune to the harsh environments of processing plasmas. PPD is intended to satisfy these requirements. The specific technique used to implement plasma diagnostics with a PPD sensor would be an advanced version of continuous-wave cavity-ringdown spectroscopy (CW-CRDS) capable of profiling spectral line broadenings in order to derive both Doppler and Stark components. CRDS is based on measurements of the rate of absorption of laser light in an optical resonator. The ultimate sensitivity results from a very long absorption path length within the cavity and immunity to variations in incident laser intensity. The proposed version of this technique would involve the use of multiplexing tunable laser diodes and an actively modulated high-reflectivity optical resonator, thus offering a synergistic combination of simplicity, compactness, high sensitivity, and high resolution. The multiplexing capabilities of diode lasers could be utilized to make the PPD sensor a single, simple, compact, and inexpensive tool for the acquisition of multiparametric data. A PPD sensor would be capable of continuous measurement of such physical parameters as gas temperature, gas velocity, electron number density, and absolute densities of reacting chemical species. A laser beam can be easily adjusted to analyze the immediate vicinity of the growing nanostructures (or features etched down) in real time. The absorption enhancement in an optical cavity would afford the sensitivity needed for measurement of the temperature and densities of species at concentrations significantly lower than measurable by other nonintrusive techniques. It is anticipated that fully developed PPD sensors would enable simultaneous measurement of local temperature and determination of plasma species responsible for the synthesis and functionalization of nanodevices. These sensors would also enable tracking the pathways and origins of damaging contaminants, thereby providing feedback for adjustment of processes to optimize them and reduce contamination. The PPD sensors should also be useful for optimization of conventional microelectronics manufacturing plasma processes. Going beyond plasma processes for fabrication of electronic devices, PPD sensors could be used for monitoring of atoms, molecules, ions, radicals, clusters, and particles in a variety of other settings, including outer space. Because of their high sensitivity, such sensors could also prove useful for detecting traces of illegal drugs and explosives.

Bolshakov, Alexander↗

NASA NTRS2021

Cryocooler Electronics Enable Thermal Imaging of Planetary Objects in Deep Space

Iris Technology Corporation received NASA SBIR awards to advance its cryocooler electronics, which control mechanical cryocoolers that enable thermal imaging systems to capture data to improve our knowledge of water and possibly life in space. Originally partnering with the Air Force SBIR program, Iris has since won several contracts to provide its cryocooler electronics on NASA missions — including a mission to examine the surface of Jupiter’s moon Europa — and on a satellite mission with the Air Force.

Mark H Davidson↗

DOE OSTI2023

Analyzing Insider Risk Threat to the Internet of Things (IoT)

Recent technological advancement has created a growing convergence of innovation. From machine learning to ubiquitous computing to wireless networks and automation, the world is seeing new technology increasingly capable of connecting with each other. Devices and systems use open communications networks to interact, process information, and react. This is called the Internet of Things (IoT) and is comprised of physical devices that exchange data over networks, creating revolutionary possibilities. The most common way most people interact with an IoT is through ‘smart home’ products like Amazon’s Alexa, which use microphones, speakers, and phones to control a variety of devices, from lights and thermostats, to cameras, to appliances and vacuum cleaners. But the open nature of IoT networks—necessary for their ability to communicate and operate—also introduces privacy and security concerns. At a personal level, this might mean a hack into a home to steal private information, but when applied in broader industries like healthcare, transportation, manufacturing, or the military, this vulnerability can have serious consequences. As IoT usage and interconnectivity increases, so too does the susceptibility to malicious actors. And the entire system is only as secure as its least secure member. This creates particular risk and vulnerability to radiological material industries, as a competent insider adversary could utilize the IoT to potentially steal or access classified or sensitive information about employees, sites, or systems; or simply sabotage security or maintenance from a more remote—and less secure—device. The IoT relies on a secure network across the entire system, especially in transport which may lack the security of more permanent locations; if one device fails, it can create a ripple effect and an insider threat may seek to exploit that connectivity. While IoT benefits drive increased innovation and usage, there are also vulnerabilities an insider threat could exploit; this risk of an IoT to radiological material must be addressed in any mitigation effort.

Kinney, Justin↗

DOE OSTI2024

Exciton Dynamics in Layered Halide Perovskite Light‐Emitting Diodes

Abstract Layered halide perovskites have garnered significant interest due to their exceptional optoelectronic properties and great promises in light‐emitting applications. Achieving high‐performance perovskite light‐emitting diodes (PeLEDs) requires a deep understanding of exciton dynamics in these materials. This review begins with a fundamental overview of the structural and photophysical properties of layered halide perovskites, then delves into the importance of dimensionality control and cascade energy transfer in quasi‐2D PeLEDs. In the second half of the review, more complex exciton dynamics, such as multiexciton processes and triplet exciton dynamics, from the perspective of LEDs are explored. Through this comprehensive review, an in‐depth understanding of the critical aspects of exciton dynamics in layered halide perovskites and their impacts on future research and technological advancements for layered halide PeLEDs is provided.

Baek, Sung‐Doo↗

DOE OSTI2021

Size- and Phase-Controlled Nanometer-Thick ß-Ga2O3 Films with Green Photoluminescence for Optoelectronic Applications

Realization and optimization of the tunable/enhanced optical properties is critical to further advance the field of optoelectronics, photonics, and nano-electronics. In this context, here, we demonstrate green-emission characteristics with a ~30 fold enhancement in selectively engineered nanocrystalline Ga2O3 with a control over size, phase and interface nanostructure. Pulsed-laser-deposited ß-phase Ga2O3 films with an average crystallite size of ~9 nm along with a highly dense, close-compact nano-columnar structure with lowest possible defect density facilitates the thirty-fold enhancement in the photoluminescence (PL) intensity in green-region. Enhanced PL-emission in the optimized, engineered nano-architecture sheds light in designing Ga2O3-materials for promising future optoelectronic/photocatalytic applications.

Ga2O3, Nanocrystalline Films, Pulsed-Laser Deposit↗

NASA NTRS2004

Ambient-Light-Canceling Camera Using Subtraction of Frames

The ambient-light-canceling camera (ALCC) is a proposed near-infrared electronic camera that would utilize a combination of (1) synchronized illumination during alternate frame periods and (2) subtraction of readouts from consecutive frames to obtain images without a background component of ambient light. The ALCC is intended especially for use in tracking the motion of an eye by the pupil center corneal reflection (PCCR) method. Eye tracking by the PCCR method has shown potential for application in human-computer interaction for people with and without disabilities, and for noninvasive monitoring, detection, and even diagnosis of physiological and neurological deficiencies. In the PCCR method, an eye is illuminated by near-infrared light from a lightemitting diode (LED). Some of the infrared light is reflected from the surface of the cornea. Some of the infrared light enters the eye through the pupil and is reflected from back of the eye out through the pupil a phenomenon commonly observed as the red-eye effect in flash photography. An electronic camera is oriented to image the user's eye. The output of the camera is digitized and processed by algorithms that locate the two reflections. Then from the locations of the centers of the two reflections, the direction of gaze is computed. As described thus far, the PCCR method is susceptible to errors caused by reflections of ambient light. Although a near-infrared band-pass optical filter can be used to discriminate against ambient light, some sources of ambient light have enough in-band power to compete with the LED signal. The mode of operation of the ALCC would complement or supplant spectral filtering by providing more nearly complete cancellation of the effect of ambient light. In the operation of the ALCC, a near-infrared LED would be pulsed on during one camera frame period and off during the next frame period. Thus, the scene would be illuminated by both the LED (signal) light and the ambient (background) light during one frame period, and would be illuminated with only ambient (background) light during the next frame period. The camera output would be digitized and sent to a computer, wherein the pixel values of the background-only frame would be subtracted from the pixel values of the signal-plus-background frame to obtain signal-only pixel values (see figure). To prevent artifacts of motion from entering the images, it would be necessary to acquire image data at a rate greater than the standard video rate of 30 frames per second. For this purpose, the ALCC would exploit a novel control technique developed at NASA s Jet Propulsion Laboratory for advanced charge-coupled-device (CCD) cameras. This technique provides for readout from a subwindow [region of interest (ROI)] within the image frame. Because the desired reflections from the eye would typically occupy a small fraction of the area within the image frame, the ROI capability would make it possible to acquire and subtract pixel values at rates of several hundred frames per second considerably greater than the standard video rate and sufficient to both (1) suppress motion artifacts and (2) track the motion of the eye between consecutive subtractive frame pairs.

Morookian, John Michael↗

DOE OSTI2025

Water content modulation enables selective ion transport in 2D MXene membranes

Separation membranes are critical for a range of processes, including but not limited to water desalination, chemical and fuel production, and recycling and recovery applications. Fundamentally, there are intrinsic trade-offs between permeability and selectivity. Local water organization and content can impact membrane structure (short- and long-range) in laminar transition metal carbide (MXene) membranes and impact selective ion permeation. Intercalation of chaotropic cesium (Cs + ) ions within the layers reduces the water content in the membrane and at the surface which cannot be found in the intercalation of other ions. Additionally, 3D imaging using focused ion beam scanning electron microscopy showed fewer defects in the Cs-MXene membrane, due to reduced local water content, leading to more efficient ion sieving. X-ray diffraction and density functional theory calculations on the nanochannel structure demonstrated that the chaotropic ion results in the smallest nanochannel size and induces a stronger resistance to water-induced nanochannel swelling. With a narrower nanochannel, the Cs-MXene membrane limits ion transport pathways, resulting in more selective transport of lithium over other metal cations, as evidenced in both experiment and molecular dynamics simulations. In conclusion, our findings highlight the potential for controlling the structural organization of 2D MXene membranes to enable on-demand transport of ions for diverse applications.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Space architecture monograph series. Volume 4: Genesis 2: Advanced lunar outpost

This research and design study investigated advanced lunar habitats for astronauts and mission specialists on the Earth's moon. Design recommendations are based on environmental response to the lunar environment, human habitability (human factors and environmental behavior research), transportability (structural and materials system with least mass), constructability (minimizing extravehicular time), construction dependability and resilience, and suitability for NASA launch research missions in the 21st century. The recommended design uses lunar lava tubes, with construction being a combination of Space Station Freedom derived hard modules and light weight Kevlar laminate inflatable structures. The proposed habitat includes research labs and a biotron, crew quarters and crew support facility, mission control, health maintenance facility, maintenance work areas for psychological retreat, privacy, and comtemplation. Furniture, specialized equipment, and lighting are included in the analysis and design. Drawings include base master plans, construction sequencing, overall architectural configuration, detailed floor plans, sections and axonometrics, with interior perspectives.

Fieber, Joseph P.↗

DOE OSTI2023

(Invited) Fuel Cell Component Durability for Million Mile Fuel Cell Trucks

While significant advances have been made and early commercial fuel cell light-duty vehicles (LDVs) are starting to be produced, fuel cells in the heavy-duty-vehicle (HDV) transportation sector (including trucks, long-haul semitrailers, maritime, trains, etc.) are nascent, despite the fact that advantages of fuel cells compared to both diesel and electric powertrains are very compelling in terms of emissions, charging time, efficiency, power-to-weight ratio, among others. However, the fuel-cell technology for HDVs requires a paradigm shift in fuel-cell research and development compared to LDVs, where the emphasis becomes efficiency and improvements in durability instead of a focus on increased power densities and lower cell costs. Heavy-duty applications require significantly longer vehicle lifetimes (>25,000 hours/1,000,000 miles for heavy-duty trucks), and therefore require improved fuel cell durability compared to light-duty vehicles. In 2020, HFTO formed the Million Mile Fuel Cell Truck Consortium (M2FCT) that includes a core team of five national laboratories to overcome durability and efficiency challenges in PEMFCs for heavy-duty applications with an initial focus on long-haul trucks. While targets and testing protocols have been developed for light-duty vehicles, the same level of targets and testing protocols have not been established for heavy-duty transportation. With operational times of greater than > 25,000 hours required, the need for well-developed accelerated stress tests (ASTs) is amplified. Results from these ASTs demonstrate the need for more durable electrode layers and well-controlled potential variations. Finally, this presentation will provide an overview of the DOE's Fuel Cell R&D approach, highlighting past and current activities, as well as strategies to enable fuel cell competiveness for heavy-duty applications.

25 ENERGY STORAGE↗

DOE OSTI2023

Bimetallic-Derived Catalytic Structures for CO 2 -Assisted Ethane Activation

In recent years, the simultaneous upgrading of CO 2 and ethane has emerged as a promising approach for generating valuable gaseous (CO, H 2 , and ethylene) and liquid (aromatics and C 3 oxygenates) chemicals from the greenhouse gas CO 2 and large-reserved shale gas. The key challenges for controlling product selectivity lie in the selective C-H and C-C bond cleavage of ethane with the assistance of CO 2 . Bimetallic-derived catalysts likely undergo alloying or oxygen-induced segregation under reaction conditions, thus providing diverse types of interfacial sites, e.g., metal/support (M/M'O x ) interface and metal oxide/metal (M'O x /M) inverse interface, that are beneficial for selective CO 2 -assisted ethane upgrading. The alloying extent can be initially predicted by cohesive energy and atomic radius (or Wigner-Seitz radius), while the preference for segregation to form the on-top suboxide can be approximated using the work function, electronegativity, and binding strength of adsorbed oxygen. Furthermore, bimetallic-derived catalysts are typically supported on high surface area oxides. Modifying the reducibility and acidity/basicity of the oxide supports and introducing surface defects facilitate CO 2 activation and oxygen supplies for ethane activation. Using in situ synchrotron characterization and density functional theory (DFT) calculations, we found that the electronic properties of oxygen species influence the selective cleavage of C-H/C-C bonds in ethane, with electron-deficient oxygen over the metal (or alloy) surface promoting nonselective bond scission to produce syngas and electron-enriched oxygen over the metal oxide/metal interface enhancing selective C-H scission to yield ethylene. Here, we further demonstrate that the preferred structures of the catalyst surfaces, either alloy surfaces or metal oxide/metal inverse interfaces, can be controlled through the appropriate choice of metal combinations and their atomic ratios. Through a comprehensive comparison of experimental results and DFT calculations, the selectivity of C-C/C-H bond scission is correlated with the thermodynamically favorable bimetallic-derived structures (i.e., alloy surfaces or metal oxide/metal inverse interfaces) under reaction conditions over a wide range of bimetallic catalysts. These findings not only offer structural and mechanistic insights into bimetallic-derived catalysts but also provide design principles for selective catalysts for CO 2 -assisted activation of ethane and other light alkanes. This Account concludes by discussing challenges and opportunities in designing advanced bimetallic-derived catalysts, incorporating new reaction chemistries for other products, employing precise synthesis strategies for well-defined structures with optimized site densities, and leveraging time/spatial/energy-resolved in situ spectroscopy/scattering/microscopy techniques for comprehensive structural analysis. The research methodologies established here are helpful for the investigation of dynamic alloy and interfacial structures and should inspire more efforts toward the simultaneous upgrading of CO 2 and shale gas.

03 NATURAL GAS↗