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At least 1,027 records · Page 57

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Epitaxially crystallized polyethylene exhibiting near‐equilibrium melting temperatures*

Abstract The morphology and orientation of polymer crystals are important factors which determine the performance of thin‐film, polymer‐based technologies such as organic electronic devices and gas separation membranes. Here, we utilize polymer‐substrate epitaxy to achieve a highly oriented crystalline morphology during thin‐film processing. To accomplish this, we employ matrix‐assisted pulsed laser evaporation (MAPLE), a slow physical vapor deposition process, to deposit linear polyethylene epitaxially atop a graphene substrate. Via MAPLE, we demonstrate the ability to achieve a film morphology comprised of well‐aligned, edge‐on crystalline lamellae. Furthermore, we show that MAPLE can be exploited to grow crystalline lamellae composed entirely of extended polymer chains which exhibit a near‐equilibrium melting temperature. Our study demonstrates that MAPLE, as a bottom‐up approach, can deposit polymer thin films with improved control over crystalline morphology.

Wang, Yucheng↗

DOE OSTI2026

Retention and surface morphology evaluation of fine-grain dispersion-strengthened tungsten for plasma-facing component applications

This study exposed novel fine-grain dispersion-strengthened tungsten (W) to high fluence, low energy deuterium (D) and helium (He) plasmas to evaluate how material microstructure and composition affect hydrogen retention and surface morphology. Tested materials included fine-grain dispersion-strengthened tungsten (DSW) with 3 wt% zirconium carbide (ZrC) dispersoids, fine-grain dense W without any dispersoids (FGW), and coarse-grained polycrystalline ‘ITER-grade’ W. Samples were exposed to D 2 + and He + plasmas at fusion-relevant fluences (∼10 25 m -2 ) and ion energies (75 eV) over a range of temperatures (200 °C, 300 °C, 450 °C for D, 850 °C for He). Helium ion microscopy was performed on the exposed samples to evaluate surface morphology changes and material integrity. After D plasma exposure, the ZrC dispersoids showed near-surface degradation at exposure temperatures above 300 °C, but no detrimental morphology changes were observed for the adjacent W grains. After He plasma-exposure, nano-structured fuzz formation was observed in the tungsten matrix of all samples. The ZrC dispersoids maintained their integrity despite the surrounding fuzz growth, with clear delineation between the W fuzz and dispersoid regions. Thermal desorption spectroscopy showed that ZrC DSW consistently retained more D than the FGW by about a factor of 2 across all temperatures. At 200 °C and 300 °C, the ITER-W displayed lower D retention than both the DSW and FGW, however at 450 °C ITER-W showed the highest retention, about 50% more than DSW. He retention was comparable across all samples, with the highest retention observed in the fine-grain W, only 26% higher than in ITER-W. These insights on retention behavior will inform further optimization of these novel fine-grained tungsten materials with and without dispersoid additives.

Dispersion-strengthened tungsten↗

DOE OSTI2024

Entanglement and Bell inequalities with boosted t t ¯

The Large Hadron Collider provides a unique opportunity to study quantum entanglement and violation of Bell inequalities at the highest energy available today. In this paper, we will investigate these quantum correlations with top quark pair production, which represents a system of two-qubits. The semileptonic top pair channel has a factor of 6 increase in statistics and easier reconstruction with respect to the dileptonic channel. Although measuring the spin polarization of the hadronic top quark is known to be challenging, our study indicates that it is feasible to reconstruct the spin density matrix of the two-qubit system using an optimal hadronic polarimeter. This is achieved with the aid of jet substructure techniques and NN-inspired reconstruction methods, which improve the mapping between subjets and quarks. We find that entanglement can already be observed at more than the 5 σ level with existing data, and violation of Bell inequalities may be probed above the 4 σ level at the HL-LHC with 3 ab − 1 of data. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2020

ENGR 399 Final Report for NIS1U Manipulator

This summer project focused on the design and analysis of a device, denoted the manipulator, that can produce pitch and yaw manipulations to precisely align the pinhole array to the target chamber center within the National Ignition Facility. This manipulation device is limited by many factors and expected to meet strict performance requirements, so rigorous design work was done to ensure a robust concept was formed. This design work included the preliminary analysis ofthree diverse concepts, developing each concept to meet necessary requirements, secondary analysis, creation ofPugh matrix to support final concept choice, and optimization ofthe final choice. To do so, three concepts with diverse driving mechanisms were developed, analyzed, scored and the best performing concept was chosen.

42 ENGINEERING↗

DOE OSTI2024

Understanding Water Controls on Shale Gas/Oil Mobilization into Fractures (FY 2019-2021(FY2022, No Cost Extension), Final Report)

The large volumes of injected and produced water, and costs associated with both hydraulic fracturing fluids and produced water treatment motivate development of hydraulic fracturing strategies that use water more efficiently. The overall objective of this project is to improve understanding on how water is distributed within unconventional shales during and after hydraulic fracturing in order to provide a more rational basis for reservoir stimulation strategies that increase hydrocarbon recovery per unit of water used. The strong capillary imbibition of water into shale matrix pores and immiscibility with hydrocarbons makes it highly desirable to reduce water use during reservoir development. Given the importance, and competing influences of capillarity and gravity in controlling water in fractured porous media, this project also seeks to understand how these factors interact to obstruct or allow gas flow.

04 OIL SHALES AND TAR SANDS↗

DOE OSTI2022

Carrier Mobility Modulation in Cu 2 Se Composites Using Coherent Cu 4 TiSe 4 Inclusions Leads to Enhanced Thermoelectric Performance

Carrier transport engineering in bulk semiconductors using inclusion phases often results in the deterioration of carrier mobility (μ) owing to enhanced carrier scattering at phase boundaries. Here, we show by leveraging the temperature-induced structural transition between the α-Cu 2 Se and β-Cu 2 Se polymorphs that the incorporation of Cu 4 TiSe 4 inclusions within the Cu 2 Se matrix results in a gradual large drop in the carrier mobility at temperatures below 400 K (α-Cu 2 Se), whereas the carrier mobility remains unchanged at higher temperatures, where the β-Cu 2 Se polymorph dominates. The sharp discrepancy in the electronic transport within the α-Cu 2 Se and β-Cu 2 Se matrices is associated with the formation of incoherent α-Cu 2 Se/Cu 4 TiSe 4 interfaces, owing to the difference in their atomic structures and lattice parameters, which results in enhanced carrier scattering. In contrast, the similarity of the Se sublattices between β-Cu 2 Se and Cu 4 TiSe 4 gives rise to coherent phase boundaries and good band alignment, which promote carrier transport across the interfaces. Interestingly, the different cation arrangements in Cu 4 TiSe 4 and β-Cu 2 Se contribute to enhanced phonon scattering at the interfaces, which leads to a reduction in the lattice thermal conductivity. The large reduction in the total thermal conductivity while preserving the high power factor of β-Cu 2 Se in the (1–x)Cu 2 Se/(x)Cu 4 TiSe 4 composites results in an improved ZT of 1.2 at 850 K, with an average ZT of 0.84 (500–850 K) for the composite with x = 0.01. Furthermore, this work highlights the importance of structural similarity between the matrix and inclusions when designing thermoelectric materials with improved energy conversion efficiency.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Role of interfacial carbon layer in the thermal diffusivity/conductivity of silicon carbide fiber-reinforced reaction-bonded silicon nitride matrix composites

Experiments were carried out on samples of reaction-bonded silicon nitride uniaxially reinforced by SiC monofilaments with and without a 3-micron-thick carbon-rich coating. It is found that a combination of a carbon coatings on the fibers and an interfacial gap due to the thermal expansion mismatch in the composite can significantly (by a factor of 2) lower the effective thermal diffusivity in the direction transverse to the fiber. At atmospheric pressure, gaseous conduction across the interfacial gap makes a significant contribution to the heat transfer across the interface, indicated by significantly lower values of the effective thermal diffusivity under vacuum than in nitrogen or helium at atmospheric pressure.

Bhatt, Hemanshu↗

DOE OSTI2021

High glucose activates ERK1/2 to stabilize AP1 and increase MMP9 expression in diabetic foot ulcers

Increased matrix metalloproteinase 9 (MMP9) expression is involved in delayed wound healing in diabetic foot ulcers. We created skin wounds in normal SD rats and STZ-induced diabetic SD rats, then we found protein levels of activator protein-1 (AP1), a crucial transcription factor to increase MMP9 transcription, as well as MMP9 was up-regulated in epithelium of diabetic skin tissues. Then, we evaluated the mRNA and protein stability of AP1 subunits C-FOS/C-Jun in HaCaT cells after high glucose treatment. Results showed that high glucose could increase protein stability of C-FOS and C-Jun. Additionally, high glucose also activated extracellular signaling-related kinase 1/2 (ERK1/2). ERK1/2 inhibitor could rescue phosphorylation of C-FOS and C-Jun, increased protein stability of C-Jun, and increased MMP9 expressions. Thus, our study demonstrated that high glucose could activate ERK1/2 to stabilize AP1 and increase MMP9 expression in diabetic skin and HaCaT cells.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Magnetic phase transitions in quantum spin-orbital liquids

Here, we investigate the spin and orbital correlations of a superexchange model with spin $\textit{S}$ = 1 and orbital $\textit{L}$ = 1 relevant for $5d^4$ transition-metal Mott insulators, using exact diagonalization and density matrix renormalization group (DMRG). For spin-orbit coupling λ = 0, the orbitals are in an entangled state that is decoupled from the spins. We find two phases with increasing λ: (I) the $\textit{S}$2 phase with two peaks in the structure factor for λ ≤ λ$_{c1}$ ≈ 0.34$\textit{J}$ where $\textit{J}$ is the ferromagnetic exchange; and, (II) the $\textit{S}$1 phase for λ$_{c1}$ < λ ≤ λ$_{c2}$ ≈ 1.2$\textit{J}$ with emergent antiferromagnetic correlations. Both $\textit{S}$1 and $\textit{S}$2 phases are shown to exhibit power-law correlations, indicative of a gapless spectrum. Upon increasing λ > λ$_{c2}$ leads to a product state of local spin-orbital singlets that exhibit exponential decay of correlations, indicative of a gapped phase. We obtain insights into the phases from the well-known Uimin-Lai-Sutherland model in an external field that provides an approximate description of our model within mean-field theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Gamow-Teller Strength in Ca 48 and Ni 78 with the Charge-Exchange Subtracted Second Random-Phase Approximation

Here, we develop a fully self-consistent subtracted second random-phase approximation for charge-exchange processes with Skyrme energy-density functionals. As a first application, we study Gamow-Teller excitations in the doubly magic nucleus 48 Ca, the lightest double-β emitter that could be used in an experiment, and in 78 Ni, the single-beta-decay rate of which is known. The amount of Gamow-Teller strength below 20 or 30 MeV is considerably smaller than in other energy-density-functional calculations and agrees better with experiment in 48 Ca, as does the beta-decay rate in 78 Ni. These important results, obtained without ad hoc quenching factors, are due to the presence of two-particle–two-hole configurations. Their density progressively increases with excitation energy, leading to a long high-energy tail in the spectrum, a fact that may have implications for the computation of nuclear matrix elements for neutrinoless double-β decay in the same framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Particle-Hole Asymmetric Ferromagnetism and Spin Textures in the Triangular Hubbard-Hofstadter Model

In a lattice model subject to a perpendicular magnetic field, when the lattice constant is comparable to the magnetic length, one enters the “Hofstadter regime,” where continuum Landau levels become fractal magnetic Bloch bands. Strong mixing between bands alters the nature of the resulting quantum phases compared to the continuum limit; lattice potential, magnetic field, and Coulomb interaction must be treated on equal footing. Using determinant quantum Monte Carlo and density matrix renormalization group techniques, we study this regime numerically in the context of the Hubbard-Hofstadter model on a triangular lattice. In the field-filling phase diagram, we find a broad wedge-shaped region of ferromagnetic ground states for filling factor ν ≤ 1 , bounded below by filling factor ν = 1 and bounded above by half filling the lowest Hofstadter subband. We observe signatures of SU(2) quantum Hall ferromagnetism at filling factors ν = 1 and ν = 3 . The phases near ν = 1 are particle-hole asymmetric, and we observe a rapid decrease in ground-state spin polarization consistent with the formation of skyrmions only on the electron doped side. At large fields, above the ferromagnetic wedge, we observe a low-spin metallic region with spin correlations peaked at small momenta. We argue that the phenomenology of this region likely results from exchange interaction mixing fractal Hofstadter subbands. The phase diagram derived beyond the continuum limit points to a rich landscape to explore interaction effects in magnetic Bloch bands. Published by the American Physical Society 2024

Ding, Jixun K.↗

DOE OSTI2024

Targeted modulation of pennycress lipid droplet proteins impacts droplet morphology and seed oil content

SUMMARY Lipid droplets (LDs) are unusual organelles that have a phospholipid monolayer surface and a hydrophobic matrix. In oilseeds, this matrix is nearly always composed of triacylglycerols (TGs) for efficient storage of carbon and energy. Various proteins play a role in their assembly, stability and turnover, and even though the major structural oleosin proteins in seed LDs have been known for decades, the factors influencing LD formation and dynamics are still being uncovered mostly in the “model oilseed” Arabidopsis. Here we identified several key LD biogenesis proteins in the seeds of pennycress, a potential biofuel crop, that were correlated previously with seed oil content and characterized here for their participation in LD formation in transient expression assays and stable transgenics. One pennycress protein, the lipid droplet associated protein‐interacting protein (LDIP), was able to functionally complement the Arabidopsis ldip mutant, emphasizing the close conservation of lipid storage among these two Brassicas. Moreover, loss‐of‐function ldip mutants in pennycress exhibited increased seed oil content without compromising plant growth, raising the possibility that LDIP or other LD biogenesis factors may be suitable targets for improving yields in oilseed crops more broadly.

Guzha, Athanas↗

NASA NTRS1980

On the congruent feature in NASTRAN

The congruent feature, which is a capability in NASTRAN that can contribute to significant increases in computational efficiencies, is discussed. The usage of the capability and the software design characteristics affecting it are explained. The factors affecting the efficiency of the feature are pointed out. The details pertaining to the software design of the congruent feature are presented; in particular, the congruent element table is described. Serveral examples employing the congruent feature are considered and comparisons of Element Matrix Generator module computer program update times with and without this feature are presented. The results clearly demonstrate the role of the congruent feature in increasing computational efficiencies and its applicability to large-size problems.

Pamidi, P. R.↗

NASA NTRS1991

Ceramic susceptor for induction bonding of metals, ceramics, and plastics

A thin (.005) flexible ceramic susceptor (carbon) was discovered. It was developed to join ceramics, plastics, metals, and combinations of these materials using a unique induction heating process. Bonding times for laboratory specimens comparing state of the art technology to induction bonding were cut by a factor of 10 to 100 times. This novel type of carbon susceptor allows for applying heat directly and only to the bondline without heating the entire structure, supports, and fixtures of a bonding assembly. The ceramic (carbon film) susceptor produces molten adhesive or matrix material at the bond interface. This molten material flows through the perforated susceptor producing a fusion between the two parts to be joined, which in many instances has proven to be stronger than the parent material. Bonding can be accomplished in 2 minutes on areas submitted to the inductive heating. Because a carbon susceptor is used in bonding carbon fiber reinforced plastics and ceramics, there is no radar signature or return making it an ideal process for joining advanced aerospace composite structures.

Fox, Robert L.↗

NASA NTRS1994

Effect of grid aspect ratio on convergence

The effects of high-aspect-ratio grids on algorithm convergence are considered by means of vector stability theory and computational experiments. The results indicate that approximately factored implicit schemes experience convergence deterioration because of nonoptimum local time-stepping procedures and increased need for viscous preconditioning. Based on this insight, an enhanced algorithm is devised using improved selection of the local time step, appropriate definition of the viscous preconditioning matrix, and proper implementation of the boundary conditions. The new algorithm provides uniformly efficient convergence at all aspect ratios for both Euler and Navier-Stokes computations for a variety of test problems.

Buelow, P. E. O.↗

NASA NTRS1998

Algebraic Nonoverlapping Domain Decomposition Methods for Stabilized FEM and FV Discretizations

We consider preconditioning methods for convection dominated fluid flow problems based on a nonoverlapping Schur complement domain decomposition procedure for arbitrary triangulated domains. The triangulation is first partitioned into a number of subdomains and interfaces which induce a natural 2 x 2 partitioning of the p.d.e. discretization matrix. We view the Schur complement induced by this partitioning as an algebraically derived coarse space approximation. This avoids the known difficulties associated with the direct formation of an effective coarse discretization for advection dominated equations. By considering various approximations of the block factorization of the 2 x 2 system, we have developed a family of robust preconditioning techniques. A computer code based on these ideas has been developed and tested on the IBM SP2 using MPI message passing protocol. A number of 2-D CFD calculations will be presented for both scalar advection-diffusion equations and the Euler equations discretized using stabilized finite element and finite volume methods. These results show very good scalability of the preconditioner for various discretizations as the number of processors is increased while the number of degrees of freedom per processor is fixed.

Barth, Timothy J.↗

DOE OSTI2022

Elucidation of the physical factors that control activated transport of penetrants in chemically complex glass-forming liquids

Understanding the activated transport of penetrant or tracer atoms and molecules in condensed phases is a challenging problem in chemistry, materials science, physics, and biophysics. Many angstrom- and nanometer-scale features enter due to the highly variable shape, size, interaction, and conformational flexibility of the penetrant and matrix species, leading to a dramatic diversity of penetrant dynamics. Based on a minimalist model of a spherical penetrant in equilibrated dense matrices of hard spheres, a recent microscopic theory that relates hopping transport to local structure has predicted a novel correlation between penetrant diffusivity and the matrix thermodynamic dimensionless compressibility, S 0 ( T ) (which also quantifies the amplitude of long wavelength density fluctuations), as a consequence of a fundamental statistical mechanical relationship between structure and thermodynamics. Moreover, the penetrant activation barrier is predicted to have a factorized/multiplicative form, scaling as the product of an inverse power law of S 0 ( T ) and a linear/logarithmic function of the penetrant-to-matrix size ratio. This implies an enormous reduction in chemical complexity that is verified based solely on experimental data for diverse classes of chemically complex penetrants dissolved in molecular and polymeric liquids over a wide range of temperatures down to the kinetic glass transition. The predicted corollary that the penetrant diffusion constant decreases exponentially with inverse temperature raised to an exponent determined solely by how S 0 ( T ) decreases with cooling is also verified experimentally. Our findings are relevant to fundamental questions in glassy dynamics, self-averaging of angstrom-scale chemical features, and applications such as membrane separations, barrier coatings, drug delivery, and self-healing.

Science & Technology - Other Topics↗

DOE OSTI2025

Phase-Field Modeling of Damage Evolution in Ceramic Matrix Composite (CMC) and Environmental Barrier Coating (EBC)

Ceramic matrix composites (CMCs) protected by environmental barrier coatings (EBCs) present a promising materials solution for next generation gas turbines. Developments of more robust and efficient EBCs and mechanically tougher CMCs are thus of significant technological importance. Here we develop a phase-field modeling framework that incorporates the thermally grown oxide (TGO), recognized as a critical factor for degradation and failure of EBCs. We simulate crack growth in the TGO and the potential extension into the bond coat / CMC substrate. The model efficiently takes account of the large inelastic deformation induced by the severe volume expansion of TGO, thanks to our recently developed, so-called incremental realization of inelastic deformation (IRID) algorithm. A phase-field model is built for damage evolution in CMCs including crack growth and interfacial sliding. The effects of fiber layout and interfacial sliding on the macroscopic toughness of CMCs are revealed by large-scale simulations and compared to experiments.

advanced energy systems and materials↗