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At least 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Correlating structure, self-assembly chemistry and conductivity of trithiocyanuric acid on Au(111)

The majority of candidates for simple model molecular-electronic components consist of a conductive π-conjugated hydrocarbon linker attached to at least two anchoring groups, such as thiols or isocyanides. It has been found that select molecules self-assemble on gold surfaces, creating one-dimensional conductive structures that act as “molecular wires”. Furthermore, these oligomers can form molecular bridges between gold nanoparticles, leading to the creation of simple molecular-electronic devices. This raises the question whether other π-conjugated molecular linkers could exhibit similar behavior that might offer a broader range of candidates for fabricating electronic devices. Trithiocyanuric acid (1,3,5-triazine-2,4,6-trithiol, TTCA) provides a possible candidate. TTCA (C3N3(SH)3) can exist as a trithiol or as a trithione in which hydrogens transfer to the sulfurs so that they are present with three C=N groups within the ring. TTCA exists naturally in the trithione form but converts into a trithiol when adsorbed onto an Ag(111) where it is vertically oriented. The structure of TTCA adsorbed on Au(111) is studied here using reflection-absorption infrared spectroscopy (RAIRS) where it is found to remain as the trithione isomer, but changes orientation as the coverage increases. Scanning-tunneling microscopy (STM) reveals that TTCA oligomerizes on Au(111) to form chains and triangular structures. The influence on molecular conductivity due to the differences in the adsorbate's isomeric structure was investigated using devices comprising either silver or gold nanoparticles deposited in the gap between gold nanoelectrodes. Both devices were found to conduct when dosed with TTCA, but the devices fabricated using silver were about 13 time more conductive than those made from gold nanoparticles, consistent with the π-conjugated structure formed on silver but not on gold. This implies that oligomers form both on silver and on gold and potentially increases the range of molecule-metal combinations that might be used to fabricate molecular-electronic devices.

Molecular electronics↗
DOE OSTI2022

Structural Diversity in Dimension-Controlled Assemblies of Tetrahedral Gold Nanocrystals

Polyhedron packings have fascinated humans for centuries and continue to inspire scientists of modern disciplines. Despite extensive computer simulations and a handful of experimental investigations, understanding of the phase behaviors of synthetic tetrahedra has remained fragmentary largely due to the lack of tetrahedral building blocks with tunable size and versatile surface chemistry. Here, in this study, we report the remarkable richness of and complexity in dimension-controlled assemblies of gold nanotetrahedra. By tailoring nanocrystal interactions from long-range repulsive to hard-particle-like or to systems with short-ranged directional attractions through control of surface ligands and assembly conditions, nearly a dozen of two-dimensional and three-dimensional superstructures including the cubic diamond and hexagonal diamond polymorphs are selectively assembled. We further demonstrate multiply twinned icosahedral supracrystals by drying aqueous gold nanotetrahedra on a hydrophobic substrate. This study expands the toolbox of the superstructure by design using tetrahedral building blocks and could spur future computational and experimental work on self-assembly and phase behavior of anisotropic colloidal particles with tunable interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Mechanical flip-chip for ultra-high electron mobility devices

In this study, electrostatic gates are of paramount importance for the physics of devices based on high-mobility two-dimensional electron gas (2DEG) since they allow depletion of electrons in selected areas. This field-effect gating enables the fabrication of a wide range of devices such as, for example, quantum point contacts (QPC), electron interferometers and quantum dots. To fabricate these gates, processing is usually performed on the 2DEG material, which is in many cases detrimental to its electron mobility. Here we propose an alternative process which does not require any processing of the 2DEG material other than for the ohmic contacts. This approach relies on processing a separate wafer that is then mechanically mounted on the 2DEG material in a flip-chip fashion. This technique proved successful to fabricate quantum point contacts on both GaAs/AlGaAs materials with both moderate and ultra-high electron mobility.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Comparison of pseudo-static limit equilibrium and elastic wave equation analyses of dynamic earth pressures on retaining structures

The seismic earth pressure increment is typically computed using either pseudo-static limit equilibrium methods or elastic wave equation analyses of the interaction between a retaining structure and backfill material, yet current interpretations of the two methods provide conflicting recommendations. The focus of this study is to compare the seismic earth pressure increment computed using the two methods. This approach is demonstrated by subjecting an initially uniform prototype site selected from standard site classifications to harmonic excitation in one-dimensional equivalent linear analyses. Then, the seismic earth pressure resultant for a rigid wall is computed using the two methods. The limit equilibrium approach utilizes the acceleration records from the equivalent linear analysis to compute a seismic coefficient, whereas the elastic solution incorporates the reduced modulus and damping from the final iteration of the analysis, as well as the relative displacement records. The results presented herein corroborate the findings of recent centrifuge experiments and associated analyses.

58 GEOSCIENCES↗
DOE OSTI2019

High-speed Synchrotron X-ray Imaging of Laser Powder Bed Fusion Process

In additive manufacturing (AM) processes, materials are selectively added in layer-wise fashion to build three-dimensional objects. This approach provides several advantages over conventional manufacturing, including the ability to manufacture complex parts, design flexibility, shorter lead times, reduced inventory of spares, and on-demand manufacturing [1]. With these advantages, applications of AM are increasing rapidly in the medical, aerospace, automobile, and defense industries [2, 3]. Currently, laser powder bed fusion (LPBF) is the most extensively used AM technique for manufacturing metal parts. In a typical LPBF process, a high-power laser beam is scanned across a thin layer of powder, melting and subsequently fusing it to the previous layer. Highly transient interactions between the laser, powder particles, and the bottom layer lead to defects in the AM materials. These defects include porosity, residual stresses, surface roughness, and undesirable microstructures [1, 4]. Additionally, several in situ techniques have been developed to capture these interactions in real time, including high-speed visible light and infra-red imaging [5]. However these techniques are limited to surface observations. Most of the important phenomena that govern the quality of the AM parts, such as dynamics of the vapor depression and melt pool, occur sub-surface and hence cannot be captured using traditional optical techniques. Recently, a synchrotron-based high-speed X-ray imaging technique has been developed to record the sub-surface dynamics of metallic materials during the LPBF process. The unprecedented spatial and temporal resolutions afforded by the synchrotron sources allow direct observation of many important phenomena in AM for the first time [6–9]. Further, high-speed X-ray diffraction and optical imaging techniques are also being applied to capture the crystallographic and thermal information of the material, respectively, as they undergo melting, solidification, and cooling [6, 9]. In this contribution, we introduce the recent developments at the Advanced Photon Source (APS) for in situ and operando study of LPBF processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Materials synthesis, neutron powder diffraction, and first-principles calculations of (Mo x Sc 1–x ) 2 AlC i–MAX phase used as parent material for MXene derivation

Research on low-dimensional materials has increased drastically in the last decade, with the discovery of two-dimensional transition metal carbides and nitrides (MXenes) produced by atom-selective chemical etching of laminated parent M n+1 AX n (MAX) phases. In this study, we apply density functional theory and subsequent materials synthesis and analysis to explore the phase stability and Mo/Sc intermixing on the M site in the chemically ordered quaternary i-MAX phase (Mo x Sc 1-x ) 2 AlC. Transmission electron microscopy confirms the theoretical predictions of preferential in-plane ordering of Mo and Sc, with the highest crystal quality obtained for the ideal Mo:Sc ratio of 2:1 (predicted as the most stable), as well as a retained i-MAX structure even for an increased relative Sc content, with Sc partially occupying Mo sites. The results are supported by refined neutron diffraction data, which show space group C2/c (no. 15), and a C occupancy of 1. Subsequent chemical etching produces MXene for x=0.66, while for x=0.33 and 0.5 no MXene is observed. These results demonstrate that a precise control of the i-MAX composition is crucial for derivation of MXene, with a MXene quality optimized for a Mo:Sc ratio of 2:1 with minimal intermixing between Mo and Sc.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Bimetallic or trimetallic materials with structural metal centers based on Mn, Fe or V (Final Technical Report)

Bimetallic or trimetallic materials with structural metal centers based on Mn, Fe or V were investigated under this project. These metal centers are the focus of this research as they have high earth abundance and have each shown success as cathode materials in lithium batteries. Silver ion, Ag + , was initially selected as the displacement material as reduction of this center should result in increased conductivity as Ag 0 metal particles are formed in-situ upon electrochemical reduction. The in-situ formation of metal nanoparticles upon electrochemical reduction has been previously noted, and more recently, we have investigated the resulting increase in conductivity. Layered materials as well as materials with tunnel or channel type structures were selected. Layered materials are of interest as they can provide 2-dimensional ion mobility. Tunnel or channel structures are also of interest as they provide a rigid framework that should remain stable over many discharge/charge cycles. We describe some examples of materials we have synthesized that demonstrate promising electrochemistry.

25 ENERGY STORAGE↗
DOE OSTI2025

Using Separation-Enhanced Isotope Ratio Mass Spectrometry to Enable Increased Renewable Carbon Content in Transportation Fuels (CRADA 525)

Stable isotope ratio measurements of carbon atoms using isotope ratio mass spectrometry (IRMS) can be an effective tool for quantifying biogenic carbon in co-processed fuels, with results approaching the precision and accuracy of accelerator mass spectrometry (AMS). The lower cost of an IRMS may enable deployment to refineries, improving access and analysis turnaround times (≤2 hours), and, by extension, provide data that can allow process optimization to maximize renewable carbon in desired refinery products. This project explored the integration of chemical separation with IRMS analyses to enable highly detailed tracking of biogenic carbon into fuel product streams separated by boiling point range, chemical class, or specific compound. Forty-nine fuels and fuel components of fossil and biogenic origin, spanning gasoline and diesel boiling point ranges, were received from three refiners and were analyzed for their δ 13 C values via IRMS. Results spanned a 13 C range from ca. 10‰ to 44‰ and reflect materials derived from sustainable sources (e.g., C4 or C3 plants, animal-based pathways, syngas) or from fossil-derived fuels. Common ranges are approximately 18‰ to 9‰ and approximately 30‰ to 20‰ for C4 and C3 plants, respectively, and approximately 34‰ to 24‰ and approximately 70‰ to 33‰ for petroleum-derived fuels and methane, respectively. Fuel-like standards were developed and tested using direct-injection elemental analyzer (EA) IRMS for liquid fuels. This method was compared with the published methods, yielding statistically similar results. Four blend curve sets were produced ranging from 0% to 100% of a fuel containing biogenic carbon, focusing on 0% to 10% biogenic carbon. Linear fits were the most applicable for two of the four blend curve sets; however, two sets were found to exhibit slightly quadratic behavior, which was more pronounced in low biogenic blend samples, necessitating second-order fits. The origin of the slight quadratic behavior remains unclear; however, the discussion points to possible interpretations. CanmetENERGY thoroughly characterized a majority of the samples using one- and two-dimensional gas chromatography (GC and GC×GC, respectively) and other analyses. Selected samples were subjected to solid phase extraction (SPE) for saturate, olefin, aromatic, and polar (SOAP) analysis, and the resulting solvent-diluted fractions containing saturates and aromatics were returned to Pacific Northwest National Laboratory (PNNL), where the solvent was removed via evaporation or physical separation using GC techniques. Characterization and separations provided an understanding of saturate and aromatic content, as well as boiling point ranges for each sample and sample fraction. Samples resulting from SPE were examined using EA-IRMS and gas chromatography combustion IRMS (GC-C-IRMS) analyses. Both approaches suggest that the range in values between end-members can be increased by selecting the paraffinic or aromatic fraction of the end-member or by selecting among individual compounds resulting from GC separation of the paraffinic fractions. Considerable work remains to put these approaches into practice and statistically validate the benefit for using a fraction or individual compound over bulk analysis of a sample. However, initial results suggest that separations provide advantages for samples having blend ratios of less than 10% biogenic blendstocks. 13 C results showed statistically similar biofuel blend results to those obtained at PNNL, although additional work is needed to obtain better reproducibility. Select samples were sent to Los Alamos National Laboratory (LANL) for IRMS measurements and Beta Analytics for AMS measurements. This work suggests that IRMS and AMS yield closely comparable results and in some circumstances, IRMS could serve as a surrogate for AMS. While additional work is needed to better resolve statistical advantages for separations and better show the comparable nature of IRMS and AMS in both the biogenic carbon analysis of bulk chemical classes, initial results from this study suggest that these should be pursued in order to proliferate this approach for quantifying biogenic carbon in transportation fuels to the refinery level, thereby potentially enabling process optimization in co-processing scenarios.

09 BIOMASS FUELS↗
DOE OSTI2018

The Projected Dark and Baryonic Ellipsoidal Structure of 20 CLASH Galaxy Clusters

We reconstruct the two-dimensional (2D) matter distributions in 20 high-mass galaxy clusters selected from the CLASH survey by using the new approach of performing a joint weak gravitational lensing analysis of 2D shear and azimuthally averaged magnification measurements. This combination allows for a complete analysis of the field, effectively breaking the mass-sheet degeneracy. In a Bayesian framework, we simultaneously constrain the mass profile and morphology of each individual cluster, assuming an elliptical Navarro–Frenk–White halo characterized by the mass, concentration, projected axis ratio, and position angle (PA) of the projected major axis. We find that spherical mass estimates of the clusters from azimuthally averaged weak-lensing measurements in previous work are in excellent agreement with our results from a full 2D analysis. Combining all 20 clusters in our sample, we detect the elliptical shape of weak-lensing halos at the 5σ significance level within a scale of 2 $\mathrm{Mpc}\,{h}^{-1}$. The median projected axis ratio is 0.67 ± 0.07 at a virial mass of ${M}_{\mathrm{vir}}=(15.2\pm 2.8)\times {10}^{14}\,{M}_{\odot }$, which is in agreement with theoretical predictions from recent numerical simulations of the standard collisionless cold dark matter model. We also study misalignment statistics of the brightest cluster galaxy, X-ray, thermal Sunyaev–Zel'dovich effect, and strong-lensing morphologies with respect to the weak-lensing signal. Among the three baryonic tracers studied here, we find that the X-ray morphology is best aligned with the weak-lensing mass distribution, with a median misalignment angle of $| {\rm{\Delta }}\mathrm{PA}| =21^\circ \pm 7^\circ $. We also conduct a stacked quadrupole shear analysis of the 20 clusters assuming that the X-ray major axis is aligned with that of the projected mass distribution. In conclusion, this yields a consistent axis ratio of 0.67 ± 0.10, suggesting again a tight alignment between the intracluster gas and dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Surface pressure measurements on a series of two-dimensional yawmeter bodies

It is shown that certain two dimensional bodies exist having a sensitivity of surface pressure to flow direction which is much higher than for currently used two dimensional yawmeters. A body having a simple cross sectional shape was selected for experimental evaluation at low Mach number, but at a typical Reynolds number for such instruments.

Goodyer, M. J.↗
NASA NTRS1987

Space station architectural elements model study

The space station must unite the properties and behavior of individual and place, using proportions from both to make whole the understanding of ourselves at this moment in evolution. Harmonious proportions in any environment are similar to the acceptance and enjoyment of the harmony of many well-tuned musical instruments. A well-tuned or well-ordered environment tends to have invisible proportions. They produce order but do not intrude on the perception and cognitive mapping of the environment. Systems of proportion are not ends in themselves but are a means to select a series of spaces which relate one to another in dimensionally specific terms. These internal relationships create a whole when the forms are harmonious. This harmonic relationship is of intrinsic value for individuals to be physically and psychologically in balance with their universe.

Kalil, Michael↗
NASA NTRS1988

Image processing methods used to simulate flight over remotely sensed data

It has been demonstrated that image processing techniques can provide an effective means of simulating flight over remotely sensed data (Hussey et al. 1986). This paper explains the methods used to simulate and animate three-dimensional surfaces from two-dimensional imagery. The preprocessing techniques used on the input data, the selection of the animation sequence, the generation of the animation frames, and the recording of the animation is covered. The software used for all steps is discussed.

Mortensen, H. B.↗
NASA NTRS1993

Session on coupled land surface/hydrological/atmospheric models

The current model capabilities in the context of land surface interactions with the atmosphere include only one-dimensional characteristics of vegetation and soil surface heat, moisture, momentum, and selected other trace gas fluxes (e.g., CO2). The influence of spatially coherent fluxes that result from landscape heterogeneity were not included. Valuable representations of several aspects of the landscape pattern currently exist. These include digital elevation data and measures of the leaf area index (i.e., Normalized Difference Vegetation Index (NDVI) from Advanced Very High Resolution Radiometer (AVHRR) data). A major deficiency, however, is the lack of an ability to sample spatially representative shallow and (especially) deep soil moisture. Numerous mesoscale modeling and observed studies demonstrated the sensitivity of planetary boundary layer structure and deep convection to the magnitude of the surface moisture flux.

Pielke, Roger↗
NASA NTRS2010

Enhancements to the NASA/Goddard Space Flight Center (GSFC) Space Environment Simulator (SES) Facility to Support Cryogenic Testing of the James Webb Space Telescope (JWST) Integrated Science Instrument Module (ISIM)

NASA is the mission lead for the James Webb Space Telescope (JWST), the next of the "Great Observatories", scheduled for launch in 2014. It is directly responsible for the integration and test of the Integrated Science Instrument Module (ISIM), which includes a composite truss structure provided by NASA, and four science instruments sponsored and provided by NASA, the European Space Agency (ESA), the Canadian Space Agency (CSA), and the European Consortium (EC). Three of the four instruments are passively cooled and designed to operate at temperatures in the 36K to 40K range, and the fourth instrument is actively cooled to approximately 6K. The ISIM will undergo several performance tests at various levels of integration in the NASA Goddard Space Flight Center's (GSFC) Space Environment Simulator (SES), GSFC's largest thermal vacuum chamber. These activities range from Cryo-cycling the bare flight composite structure to thermal balance and performance testing of the full ISIM module. This paper describes the enhancements made to the SES chamber in order to support all cryogenic thermal vacuum testing of the ISIM. Upgrades discussed include: design and fabrication of a very large, removable and reconfigurable helium shroud; a new valve box permitting independent flow control of gaseous helium (GHe) to up to ten zones; and development of in-situ 3-dimensional photogrammetry capability in a cryogenic environment. Also presented will be select results from several facility tests already conducted to verify the chamber capabilities and optimize operational procedures, including the Helium Shroud -03 Configuration Acceptance Test, and the Helium Shroud -01 Configuration Chamber Certification Test.

Cleveland, Paul↗
NASA NTRS2013

Direct Numerical Simulation of Transition in a Swept-Wing Boundary Layer

Direct numerical simulation (DNS) is performed to examine laminar to turbulent transition due to high-frequency secondary instability of stationary crossflow vortices in a subsonic swept-wing boundary layer for a realistic natural-laminar-flow airfoil configuration. The secondary instability is introduced via inflow forcing derived from a two-dimensional, partial-differential-equation based eigenvalue computation; and the mode selected for forcing corresponds to the most amplified secondary instability mode which, in this case, derives a majority of its growth from energy production mechanisms associated with the wall-normal shear of the stationary basic state. Both the growth of the secondary instability wave and the resulting onset of laminar-turbulent transition are captured within the DNS computations. The growth of the secondary instability wave in the DNS solution compares well with linear secondary instability theory when the amplitude is small; the linear growth is followed by a region of reduced growth resulting from nonlinear effects before an explosive onset of laminar breakdown to turbulence. The peak fluctuations are concentrated near the boundary layer edge during the initial stage of transition, but rapidly propagates towards the surface during the process of laminar breakdown. Both time-averaged statistics and flow visualization based on the DNS reveal a sawtooth transition pattern that is analogous to previously documented surface flow visualizations of transition due to stationary crossflow instability. The memory of the stationary crossflow vortex is found to persist through the transition zone and well beyond the location of the maximum skin friction.

Duan, Lian↗
NASA NTRS2014

Fabrication of Turbine Disk Materials by Additive Manufacturing

Precipitation-strengthened, nickel-based superalloys are widely used in the aerospace and energy industries due to their excellent environmental resistance and outstanding mechanical properties under extreme conditions. Powder-bed additive manufacturing (AM) technologies offer the potential to revolutionize the processing of superalloy turbine components by eliminating the need for extensive inventory or expensive legacy tooling. Like selective laser melting (SLM), electron beam melting (EBM) constructs three-dimensional dense components layer-by-layer by melting and solidification of atomized, pre-alloyed powder feedstock within 50-200 micron layers. While SLM has been more widely used for AM of nickel alloys like 718, EBM offers several distinct advantages, such as less retained residual stress, lower risk of contamination, and faster build rates with multiple-electron-beam configurations. These advantages are particularly attractive for turbine disks, for which excessive residual stress and contamination can shorten disk life during high-temperature operation. In this presentation, we will discuss the feasibility of fabricating disk superalloy components using EBM AM. Originally developed using powder metallurgy forging processing, disk superalloys contain a higher refractory content and precipitate volume fraction than alloy 718, thus making them more prone to thermal cracking during AM. This and other challenges to produce homogeneous builds with desired properties will be presented. In particular, the quality of lab-scale samples fabricated via a design of experiments, in which the beam current, build temperature, and beam velocity were varied, will be summarized. The relationship between processing parameters, microstructure, grain orientation, and mechanical response will be discussed.

oxidation↗
NASA NTRS2019

In Situ Observation of Growth Dynamics in DECLIC Directional Solidification Insert Onboard ISS: DSI-R Flight Campaign

The study of solidification microstructure formation is of utmost importance for materials design and processing, as solid-liquid interface patterns largely govern mechanical and physical properties. Pattern selection occurs under dynamic conditions of growth in which the initial morphological instability evolves nonlinearly and undergoes a reorganization process. The dynamic and nonlinear nature of this instability renders in situ observation of the interface an invaluable tool to gain knowledge on the time-evolution of the interface pattern. Transparent organic analogs, which solidify like metallic alloys, allow direct visualization of interface dynamics. Extensive ground-based studies of both metallic and organic bulk samples have established the presence of significant convection during solidification processes that alters the formation of interfacial microstructures. A reduced-gravity environment is therefore mandatory for fluid flow elimination in bulk samples. In the framework of the CNES project MISOL3D (MIcrostrutures de SOLidification 3D) and the NASA projects DSIP (Dynamical Selection of 3D Interface Patterns), SPADES (SPAtiotemporal Evolution of three-dimensional DEndritic array Structures) and CAMUS (ComputAtional Studies of MicrostrUcture Formation During Alloy Solidification in Microgravity), we participated in the development of the Directional Solidification Insert (DSI) of the DEvice for the study of Critical Liquids and Crystallization (DECLIC). The DECLIC-DSI is dedicated to in situ and real-time characterization of solid-liquid interface patterns during directional solidification of transparent alloys in diffusive transport regime. Between April 2010 and March 2011, the first ISS campaign (DSI) explored the entire range of microstructures resulting in unprecedented observations. A second campaign (DSI-R), performed between October 2017 and December 2018, in which the insert contained an alloy of higher solute concentration, allowed to complete the benchmark database. The increase of solute concentration resulted in well-developed dendritic patterns at lower velocities (lower interface curvature and larger tip radius). The microstructure resulting from dendritic growth is dominant in metallurgy so that it is fundamental to understand the mechanisms of its formation. The main aims of this experimental campaign are to understand: the mechanisms of the cell to dendrite transition, the fundamental mechanisms of sidebranching formation, the dependence of dendrite tip shapes on growth conditions, the interaction of primary array and secondary sidebranches, and the influence of subgrain boundaries on the spatiotemporal organization of the array structure. Preparation, analysis and interpretation of the experiments performed onboard ISS are considerably enhanced by experiments performed on ground using thin-samples (Pr. Trivedi’s group) and phase-field simulations of microstructure formation in a diffuse growth regime (Pr. Karma’s group). In this summary, we will present an initial assessment of the results obtained during the DSI-R campaign. Nomenclature Vp: pulling velocity G: thermal gradient L: solidified length rtip: tip curvature radius Acronyms/Abbreviations CADMOS: Centre d'Aide au Développement des activités en Micro-pesanteur et des Opérations Spatiales CNES: Centre National d’Études Spatiales DECLIC: Device for the study of Critical LIquids and Crystallization DSI: Directional Solidification Insert DSI-R: Directional Solidification Insert - Refurbish ISS: International Space Station NASA: National Aeronautics and Space Administration PF: phase-field SCN: Succinonitrile 3D: three-dimensional

Mota, F.L.↗