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At least 721 records · Page 40

Decoupling plasma, catalyst, and gaseous mechanisms for non-oxidative methane conversion

Direct non-oxidative methane (CH 4 ) conversion to value-added hydrogen (H 2 ) and C 2 products remains hindered by fundamental catalytic scaling constraints and rapid surface deactivation at elevated temperatures. Plasma-enabled catalysis offers a promising route to overcome the thermodynamic and kinetic barriers of direct non-oxidative methane upgrading at mild conditions, yet control over C–C product selectivity and catalyst stability remains elusive. Here, we establish a unified mechanistic framework including Langmuir–Hinshelwood (L–H) and Langmuir–Rideal (L–R) mechanisms that disentangles the roles of plasma excitation (including vibrationally activated species and radicals), surface temperature (T sur ), and catalyst binding energy in steering CH 4 conversion to H 2 and C 2 hydrocarbons. Through a combination of density functional theory (DFT) informed microkinetic modeling, in situ and ex situ surface characterization, and product quantification under dielectric barrier discharge conditions, we show that vibrationally excited CH 4 lowers activation barriers selectively for dissociative chemisorption, enabling surface activation across a wide range of transition metal catalysts at low thermal energy input. We find that once CH 4 is dissociatively chemisorbed, the branching between C 2 H 2 , C 2 H 4 , and C 2 H 6 is governed by surface properties (carbon binding energy, T sur , etc), regardless of plasma excitation. The DFT informed microkinetic model decouples the effects of molecular activation from surface properties and indentifies operating windows that maximize target yields while suppressing carbon accumulation and subsequent catalytic inactivation. Experiments on polycrystalline Cu/Al 2 O 3 , Ni/Al 2 O 3 , and Pt/Al 2 O 3 validate these predictions, revealing catalyst-dependent branching toward ethane or ethylene and distinct deactivation profiles. We unify these trends into a generalized three-dimensional plasma-thermal-catalytic design space, from which reduced descriptors such as T vib /T sur in the limit of vibrationally excited L–H pathways emerge as predictive metrics. These results enable rational tuning of methane conversion pathways and unlock selective C 2 formation using earth-abundant metals under mild plasma conditions.

catalyst inactivation↗

Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites

All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelectronic materials, properties that are missing in their prominent lead-containing counterparts. Their large thermopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, in this work, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs 2 SnI 6 and γ-CsSnI 3 , two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (κ l ) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated κ l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to κ l , arising from wave like phonon tunneling, are important in both compounds. Overall, calculated κ l with temperature-dependent interatomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs 2 SnI 6 and γ-CsSnI 3 , respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications.

36 MATERIALS SCIENCE↗

Cometary implications of the internal energy distributions of the C2 and C3 radicals produced in the photolysis of the C2H and C3H2

The C2 and C3 radicals are prominent emission in the visible region of cometary spectra. Observational evidence exists that suggests these radicals are formed as granddaughter fragments in the photolysis of more stable molecules. Likely candidates for these parent molecules ar C2H2, C3H4 (allene), and CH3C2H (propyne). Recent laboratory studies were performed on all of these parent molecules and they indicate that they can indeed produce the observed cometary radicals. In the case of C2H2, the laboratory evidence suggest that C2 is formed via the following mechanisms: (1) C2H2 + photon(193 nm) yields C2H + H; and (2) C2H + photon(193 nm) yields C2 + H. Evidence is presented to show that the C2 radical produced in the second reaction occurs in a variety of electronic, vibrational, and rotational states. It is argued that this is a result of conical intersections in the potential energy curves and the density of states associated with these curves. Since this is a property of the C2H radical similar initial product state distributions are expected to occur in comets. This means that any models of the C2 emission may have to start off with rotationally excited C2 radicals in both the singlet and the triplet manifolds. When C3H4 (allene) and CH3C2H (propyne) were photolyzed, the C3 radical is formed. In the allene case, laboratory evidence shows that the C3 radical is formed via the following mechanism: (1) C3H4 + photon(193 nm) yields C3H2 + H2; and (2) C3H2 + photon(193 nm) yields C3 + H2. More C3 is formed in the case of allene than in the propyne case, even though the absorption cross section for propyne is a factor of 2 larger. This suggests that competing dissociation pathways are present during the photolysis of propyne that are not available to allene. The observed quantum state distributions of the C3 product were the same for both parent molecules, indicating that the same intermediate state is involved. These observations can be understood if the excited propyne formed in the initial absorption step isomerizes to excited allene before it dissociates to the same daughter compound. This postulate was tested by comparing RRKM calculations of the isomerization rate of excited propyne versus the decomposition rate to other products.

Jackson, William M.↗

Intelligent neuroprocessors for in-situ launch vehicle propulsion systems health management

Efficacy of existing on-board propulsion systems health management systems (HMS) are severely impacted by computational limitations (e.g., low sampling rates); paradigmatic limitations (e.g., low-fidelity logic/parameter redlining only, false alarms due to noisy/corrupted sensor signatures, preprogrammed diagnostics only); and telemetry bandwidth limitations on space/ground interactions. Ultra-compact/light, adaptive neural networks with massively parallel, asynchronous, fast reconfigurable and fault-tolerant information processing properties have already demonstrated significant potential for inflight diagnostic analyses and resource allocation with reduced ground dependence. In particular, they can automatically exploit correlation effects across multiple sensor streams (plume analyzer, flow meters, vibration detectors, etc.) so as to detect anomaly signatures that cannot be determined from the exploitation of single sensor. Furthermore, neural networks have already demonstrated the potential for impacting real-time fault recovery in vehicle subsystems by adaptively regulating combustion mixture/power subsystems and optimizing resource utilization under degraded conditions. A class of high-performance neuroprocessors, developed at JPL, that have demonstrated potential for next-generation HMS for a family of space transportation vehicles envisioned for the next few decades, including HLLV, NLS, and space shuttle is presented. Of fundamental interest are intelligent neuroprocessors for real-time plume analysis, optimizing combustion mixture-ratio, and feedback to hydraulic, pneumatic control systems. This class includes concurrently asynchronous reprogrammable, nonvolatile, analog neural processors with high speed, high bandwidth electronic/optical I/O interfaced, with special emphasis on NASA's unique requirements in terms of performance, reliability, ultra-high density ultra-compactness, ultra-light weight devices, radiation hardened devices, power stringency, and long life terms.

Gulati, S.↗

Structural Dynamics Testing of Advanced Stirling Convertor Components

NASA Glenn Research Center has been supporting the development of Stirling energy conversion for use in space. Lockheed Martin has been contracted by the Department of Energy to design and fabricate flight-unit Advanced Stirling Radioisotope Generators, which utilize Sunpower, Inc., free-piston Advanced Stirling Convertors. The engineering unit generator has demonstrated conversion efficiency in excess of 20 percent, offering a significant improvement over existing radioisotope-fueled power systems. NASA Glenn has been supporting the development of this generator by developing the convertors through a technology development contract with Sunpower, and conducting research and experiments in a multitude of areas, such as high-temperature material properties, organics testing, and convertor-level extended operation. Since the generator must undergo launch, several launch simulation tests have also been performed at the convertor level. The standard test sequence for launch vibration exposure has consisted of workmanship and flight acceptance levels. Together, these exposures simulate what a flight convertor will experience. Recently, two supplementary tests were added to the launch vibration simulation activity. First was a vibration durability test of the convertor, intended to quantify the effect of vibration levels up to qualification level in both the lateral and axial directions. Second was qualification-level vibration of several heater heads with small oxide inclusions in the material. The goal of this test was to ascertain the effect of the inclusions on launch survivability to determine if the heater heads were suitable for flight.

Heaters↗

Structural Dynamics Testing of Advanced Stirling Convertor Components

NASA Glenn Research Center has been supporting the development of Stirling energy conversion for use in space. Lockheed Martin has been contracted by the Department of Energy to design and fabricate flight-unit Advanced Stirling Radioisotope Generators, which utilize Sunpower, Inc., free-piston Advanced Stirling Convertors. The engineering unit generator has demonstrated conversion efficiency in excess of 20 percent, offering a significant improvement over existing radioisotope-fueled power systems. NASA Glenn has been supporting the development of this generator by developing the convertors through a technology development contract with Sunpower, and conducting research and experiments in a multitude of areas, such as high-temperature material properties, organics testing, and convertor-level extended operation. Since the generator must undergo launch, several launch simulation tests have also been performed at the convertor level. The standard test sequence for launch vibration exposure has consisted of workmanship and flight acceptance levels. Together, these exposures simulate what a flight convertor will experience. Recently, two supplementary tests were added to the launch vibration simulation activity. First was a vibration durability test of the convertor, intended to quantify the effect of vibration levels up to qualification level in both the lateral and axial directions. Second was qualification-level vibration of several heater heads with small oxide inclusions in the material. The goal of this test was to ascertain the effect of the inclusions on launch survivability to determine if the heater heads were suitable for flight.

Oriti, Sal↗

The Measurement of Aerosol Optical Properties using Continuous Wave Cavity Ring-Down Techniques

Large uncertainties in the effects that aerosols have on climate require improved in situ measurements of extinction coefficient and single-scattering albedo. This paper describes the use of continuous wave cavity ring-down (CW-CRD) technology to address this problem. The innovations in this instrument are the use of CW-CRD to measure aerosol extinction coefficient, the simultaneous measurement of scattering coefficient, and small size suitable for a wide range of aircraft applications. Our prototype instrument measures extinction and scattering coefficient at 690 nm and extinction coefficient at 1550 nm. The instrument itself is small (60 x 48 x 15 cm) and relatively insensitive to vibrations. The prototype instrument has been tested in our lab and used in the field. While improvements in performance are needed, the prototype has been shown to make accurate and sensitive measurements of extinction and scattering coefficients. Combining these two parameters, one can obtain the single-scattering albedo and absorption coefficient, both important aerosol properties. The use of two wavelengths also allows us to obtain a quantitative idea of the size of the aerosol through the Angstrom exponent. Minimum sensitivity of the prototype instrument is 1.5 x 10(exp -6)/m (1.5 M/m). Validation of the measurement of extinction coefficient has been accomplished by comparing the measurement of calibration spheres with Mie calculations. This instrument and its successors have potential to help reduce uncertainty currently associated with aerosol optical properties and their spatial and temporal variation. Possible applications include studies of visibility, climate forcing by aerosol, and the validation of aerosol retrieval schemes from satellite data.

Strawa, Anthony W.↗

The Measurement of Aerosol Optical Properties Using Continuous Wave Cavity Ring-Down Techniques

Large uncertainties in the effects that aerosols have on climate require improved in-situ measurements of extinction coefficient and single-scattering albedo. This abstract describes the use of continuous wave cavity ring-down (CW-CRD) technology to address this problem. The innovations in this instrument are the use of CW-CRD to measure aerosol extinction coefficient, the simultaneous measurement of scattering coefficient, and small size suitable for a wide range of aircraft applications. Our prototype instrument measures extinction and scattering coefficient at 690 nm and extinction coefficient at 1550 nm. The instrument itself is small (60 x 48 x 15 cm) and relatively insensitive to vibrations. The prototype instrument has been tested in our lab and used in the field. While improvements in performance are needed, the prototype has been shown to make accurate and sensitive measurements of extinction and scattering coefficients. Combining these two parameters, one can obtain the single-scattering albedo and absorption coefficient, both important aerosol properties. The use of two wavelengths also allows us to obtain a quantitative idea of the size of the aerosol through the Angstrom exponent. Minimum sensitivity of the prototype instrument is 1.5 x 10(exp -6)/m (1.5/Mm). Validation of the measurement of extinction coefficient has been accomplished by comparing the measurement of calibration spheres with Mie calculations. This instrument and its successors have potential to help reduce uncertainty currently associated with aerosol optical properties and their spatial and temporal variation. Possible applications include studies of visibility, climate forcing by aerosol, and the validation of aerosol retrieval schemes from satellite data.

Strawa, A. W.↗

FAIR Data and Interpretable AI Framework for Architectured Metamaterials (Final Report)

This research program established a transformative framework for the discovery and design of mechanical metamaterials, which are architected structures engineered to control physical phenomena like sound and vibration in ways natural materials cannot. To overcome the traditional reliance on trial-and-error, the project developed an interpretable Artificial Intelligence (AI) framework that moves beyond "black box" models to reveal the specific geometric patterns—such as "unit-cell templates"—that govern a material’s performance. A major breakthrough was the development of a hierarchical design method, which allows a single material to block vibrations across multiple frequency ranges simultaneously by layering patterns at different scales without them interfering with one another. This was further expanded to include irregular, graph-based designs that use spanning tree algorithms to ensure structural connectivity while allowing for customized, direction-dependent properties like stiffness and acoustic impedance. Beyond design, the project addressed the practicalities of real-world production by developing uncertainty quantification techniques that account for manufacturing defects and material variability, reducing the need for expensive physical testing by orders of magnitude. To speed up the discovery process, the team implemented Gaussian Process Regression and other surrogate models that provide accurate performance predictions at a fraction of the traditional computational cost. The AI-generated designs were successfully validated through fabrication of physical samples and wave propagation experiments, confirming their ability to accurately guide or reflect waves as predicted. By contributing these tools and high-quality FAIR benchmark datasets to the wider scientific community, this work provides a scalable foundation for advancing technologies in aerospace vibration control, medical imaging, and noise reduction.

36 MATERIALS SCIENCE↗

Single-defect phonons imaged by electron microscopy

Crystal defects affect the thermal and heat-transport properties of materials by scattering phonons and modifying phonon spectra. To appreciate how imperfections in solids influence thermal conductivity and diffusivity, it is thus essential to understand phonon–defect interactions. Sophisticated theories are available to explore such interactions, but experimental validation is limited because most phonon-detecting spectroscopic methods do not reach the high spatial resolution needed to resolve local vibrational spectra near individual defects. In this paper, we demonstrate that space- and angle-resolved vibrational spectroscopy in a transmission electron microscope makes it possible to map the vibrational spectra of individual crystal defects. We detect a red shift of several millielectronvolts in the energy of acoustic vibration modes near a single stacking fault in cubic silicon carbide, together with substantial changes in their intensity, and find that these changes are confined to within a few nanometres of the stacking fault. These observations illustrate that the capabilities of a state-of-the-art transmission electron microscope open the door to the direct mapping of phonon propagation around defects, which is expected to provide useful guidance for engineering the thermal properties of materials.

42 ENGINEERING↗

Unveiling the Structure and Dynamics of Water Confined in Colloidal Boehmite Suspensions

Thin fluid layers confined between nanoparticles play an important role in several natural and industrial systems, including radioactive wastes stored in tanks at the U.S. Department of Energy’s Hanford site. Multimodal neutron and computational approaches have been integrated to examine the properties of one, two, and four layers of water (H 2 O or D 2 O) on nanoparticulate, hydrous, or deuterated boehmite (γ-AlOOH or γ-AlOOD). Exposure of deuterated boehmite to H 2 O at 90 °C yielded rapid H/D isotopic exchange likely driven by a Grotthus-like proton-hopping mechanism. The in-plane and out-of-plane vibrations of the structural hydroxyls involved in this exchange were observed for both the hydrated and deuterated boehmite. These observations were confirmed by molecular dynamics simulations that also showed that single water molecules on the (010) surface bond to the structure via four bonds: two from hydrogens (deuteriums) on the water to surrounding oxygens and two from the water’s oxygen to surrounding OD/OH. Bulk water-like properties began to appear once four monolayers of water had been added, but steric crowding limited water diffusion rates once two monolayers had been added. The super-Arrhenius temperature dependence observed at four monolayers indicated glass-like behavior in a well-formed hydrogen-bonding network. Such a network is not sufficiently developed, however, when the surface water coverage is less than four layers. In conclusion, the unique nature of these layers can provide critical information for understanding forces between particles in proximity, and resultant effects on suspension rheology.

Anovitz, Lawrence M. [Oak Ridge National Laborator↗

Vibration analysis of a 1/15 scale dynamic model of a space shuttle configuration

The natural frequencies and mode shapes of a 1/15 scale space shuttle dynamics model are analytically determined. The model, a parallel beam type structure with delta wings, is dynamically representative of the stiffness and mass properties of an early space shuttle design. Important characteristics of the model are elastic interfaces with adjustable spring rates. Normal mode computations are made using the finite element modeling technique as implemented in the NASTRAN (NASA Structural Analysis) computer program. The feasibility of neglecting elastic deformations in the lower modes was investigated using a rigid body model. Using NASTRAN, natural frequencies and mode shapes were first calculated for the booster fuselage, orbiter fuselage, and both delta wings in a free-free condition. Next, the fuselages were connected for various spring rates. Then the wings were attached to each fuselage, and the booster and orbiter were analyzed as separate airplanes. Finally, the two airplanes were elastically joined, and the complete model was analyzed.

Thornton, E. A.↗

Lattice model calculation of elastic and thermodynamic properties at high pressure and temperature

The elastic constants and the entire frequency spectrum were calculated up to high pressure for the alkali halides in the NaCl lattice, based on an assumed functional form of the inter-atomic potential. The quasiharmonic approximation is used to calculate the vibrational contribution to the pressure and the elastic constants at arbitrary temperature. By explicitly accounting for the effect of thermal and zero point motion, the adjustable parameters in the potential are determined to a high degree of accuracy from the elastic constants and their pressure derivatives measured at zero pressure. The calculated Gruneisen parameter, the elastic constants and their pressure derivatives are in good agreement with experimental results up to about 600 K. The model predicts that for some alkali halides the Grunesen parameter may decrease monotonically with pressure, while for others it may increase with pressure, after an initial decrease.

Demarest, H. H., Jr.↗

Attitude and vibration control of a large flexible space-based antenna

Control systems synthesis is considered for controlling the rigid body attitude and elastic motion of a large deployable space-based antenna. Two methods for control systems synthesis are considered. The first method utilizes the stability and robustness properties of the controller consisting of torque actuators and collocated attitude and rate sensors. The second method is based on the linear-quadratic-Gaussian control theory. A combination of the two methods, which results in a two level hierarchical control system, is also briefly discussed. The performance of the controllers is analyzed by computing the variances of pointing errors, feed misalignment errors and surface contour errors in the presence of sensor and actuator noise.

Joshi, S. M.↗

Time domain convergence properties of Lyapunov stable penalty methods

Linear hyperbolic partial differential equations are analyzed using standard techniques to show that a sequence of solutions generated by the Liapunov stable penalty equations approaches the solution of the differential-algebraic equations governing the dynamics of multibody problems arising in linear vibrations. The analysis does not require that the system be conservative and does not impose any specific integration scheme. Variational statements are derived which bound the error in approximation by the norm of the constraint violation obtained in the approximate solutions.

Kurdila, A. J.↗

Foldable Instrumented Bits for Ultrasonic/Sonic Penetrators

Long tool bits are undergoing development that can be stowed compactly until used as rock- or ground-penetrating probes actuated by ultrasonic/sonic mechanisms. These bits are designed to be folded or rolled into compact form for transport to exploration sites, where they are to be connected to their ultrasonic/ sonic actuation mechanisms and unfolded or unrolled to their full lengths for penetrating ground or rock to relatively large depths. These bits can be designed to acquire rock or soil samples and/or to be equipped with sensors for measuring properties of rock or soil in situ. These bits can also be designed to be withdrawn from the ground, restowed, and transported for reuse at different exploration sites. Apparatuses based on the concept of a probe actuated by an ultrasonic/sonic mechanism have been described in numerous prior NASA Tech Briefs articles, the most recent and relevant being "Ultrasonic/ Sonic Impacting Penetrators" (NPO-41666) NASA Tech Briefs, Vol. 32, No. 4 (April 2008), page 58. All of those apparatuses are variations on the basic theme of the earliest ones, denoted ultrasonic/sonic drill corers (USDCs). To recapitulate: An apparatus of this type includes a lightweight, low-power, piezoelectrically driven actuator in which ultrasonic and sonic vibrations are generated and coupled to a tool bit. The combination of ultrasonic and sonic vibrations gives rise to a hammering action (and a resulting chiseling action at the tip of the tool bit) that is more effective for drilling than is the microhammering action of ultrasonic vibrations alone. The hammering and chiseling actions are so effective that the size of the axial force needed to make the tool bit advance into soil, rock, or another material of interest is much smaller than in ordinary twist drilling, ordinary hammering, or ordinary steady pushing. Examples of properties that could be measured by use of an instrumented tool bit include electrical conductivity, permittivity, magnetic field, magnetic permeability, temperature, and any other properties that can be measured by fiber-optic sensors. The problem of instrumenting a probe of this type is simplified, relative to the problem of attaching electrodes in a rotating drill bit, in two ways: (1) Unlike a rotating drill bit, a bit of this type does not have flutes, which would compound the problem of ensuring contact between sensors and the side wall of a hole; and (2) there is no need for slip rings for electrical contact between sensor electronic circuitry and external circuitry because, unlike a rotating drill, a tool bit of this type is not rotated continuously during operation. One design for a tool bit of the present type is a segmented bit with a segmented, hinged support structure (see figure). The bit and its ultrasonic/sonic actuator are supported by a slider/guiding fixture, and its displacement and preload are controlled by a motor. For deployment from the folded configuration, a spring-loaded mechanism rotates the lower segment about the hinges, causing the lower segment to become axially aligned with the upper segment. A latching mechanism then locks the segments of the bit and the corresponding segments of the slider/guiding fixture. Then the entire resulting assembly is maneuvered into position for drilling into the ground. Another design provides for a bit comprising multiple tubular segments with an inner alignment string, similar to a foldable tent pole comprising multiple tubular segments with an inner elastic cable connecting the two ends. At the beginning of deployment, all segments except the first (lowermost) one remain folded, and the ultrasonic/sonic actuator is clamped to the top of the lowermost segment and used to drive this segment into the ground. When the first segment has penetrated to a specified depth, the second segment is connected to the upper end of the first segment to form a longer rigid tubular bit and the actuator is moved to the upper end of the second segnt. The process as described thus far is repeated, adding segments until the desired depth of penetration has been attained. Yet other designs provide for bits in the form of bistable circular- or rectangular- cross-section tubes that can be stowed compactly like rolls of flat tape and become rigidified upon extension to full length, in a manner partly similar to that of a common steel tape measure. Albeit not marketed for use in tool bits, a bistable reeled composite product that transforms itself from a flat coil to a rigid tube of circular cross section when unrolled, is commercially available under the trade name RolaTube(TradeMark) and serves as a model for the further development of tool bits of this subtype.

Bar-Cohen, Yoseph↗

Angle-resolved polarized Raman study of layered b-As x P x-1 alloys: Identification of As-P vibrational modes

In this study, the polarization-resolved Raman spectra of b-As x P x-1 flakes with varying arsenic concentration (x = 0, 0.4, and 0.8) are systematically investigated. A clear polarization dependence is observed in the Raman intensity of all the P-P, As-P, and As-As modes and confirmed by the first-principles calculations. The observed angle-dependence can be related to the structure of the Raman tensors of each peak. In particular, the Raman intensities corresponding to As-P vibration modes are studied in detail. The out of plane As-P mode ($A$$^{1}_{g}$) is clearly identified, but the butterfly-shaped behavior observed in the polar plot around 350 cm -1 is interpreted as the combination of the two in-plane vibrations, one along the armchair and the other along the zigzag direction. This work allows unambiguous assignment of the $A$$^{1}_{g}$, B 2g , and $A$$^{2}_{g}$ modes of the As-P vibrational modes and the importance of the consideration of the superposition of the in-plane B 2g and $A$$^{2}_{g}$ modes. Such study can be utilized to further characterize the anisotropic structural properties and analyze the local distribution of the As and P in b-As x P x-1 alloys which will play key roles in electronic and optical properties. Furthermore, this methodology can be further extended to alloyed two-dimensional material systems with in-plane anisotropy in general.

2D materials↗

Discrete Element Method Analysis for Metal Powders Used in Additive Manufacturing, and DEM Simulation Tutorial Using LIGGGHTS-PUBLIC [PowerPoint and paper]

Discrete Element Method (DEM) is a method of analysis to evaluate the dynamic interactions between granular particles. This method has been used in the pharmaceutical industry to improve the powder compaction process for tablet manufacturing. There are also applications in agriculture, food industry, and manufacturing. Direct energy deposition is an additive manufacturing technique which uses metallic powders fed through a nozzle, melted using a directed laser, and transformed into a solid object layer by layer. One way of feeding metal particles into the system involves the use of a vibrating hopper. Given a specified amplitude and frequency input, the hopper will enable the powder to travel up a path, and inject through the system with assistance from a stream of gas. The mechanical properties of a printed object can vary, depending on the characteristics of the powder flow and the particles’ as-received properties. Improved understanding of dynamic interactions of flowing powders could enable additive manufacturing components with 2D or 3D variations in mechanical properties, e.g., density. This work uses DEM simulation software to investigate the effects of particle cohesion, friction, and density on the quality of the flow by performing an angle of repose simulation, which is often used as a metric to evaluate the flowability of powders.

36 MATERIALS SCIENCE↗