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At least 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hydrothermal Liquefaction of Structurally Diverse Lignins: Insights into Biocrude Yield, Fuel Properties, and Reaction Mechanisms

Lignin holds significant promise as a feedstock for biocrude production via hydrothermal liquefaction (HTL). Although lignin HTL has been widely studied, the specific depolymerization pathways associated with distinct lignin structures remain largely unexplored. This study investigates the HTL of four structurally diverse lignins: alkaline (AL), dealkaline (DAL), organosolv (OL), and lignosulfonate (LS) across 270–310 °C to elucidate structure-specific mechanisms governing biocrude yield and composition. AL and OL achieved the highest yields (16.8 ± 0.3% and 16.8 ± 2.5%), with AL-derived biocrude showing the highest carbon content (70.2 ± 0.0%) and HHV (31.0 ± 0.2 MJ/kg). In contrast, DAL and LS produced lower yields and inferior fuel quality due to higher sulfur content and lower carbon enrichment. The structures of AL and DAL, containing fewer methoxy groups, produced guaiacol-rich biocrudes (46.6% and 69.5%). Methylation in AL formed alkyl guaiacols and veratroles, while DAL favored side-chain oxidation. OL retained complex structures, forming syringols and desaspidinol, which contributed to heavier biocrude compounds. Sulfonate groups in LS were stabilized mostly as sulfides, leading to elevated sulfur content. These findings provide mechanistic insight into how lignin structure governs HTL behavior, enabling targeted control of biocrude yield and quality for renewable fuel production.

biocrude↗
DOE OSTI2023

The Structure of Maltooctaose-Bound Escherichia coli Branching Enzyme Suggests a Mechanism for Donor Chain Specificity

Glycogen is the primary storage polysaccharide in bacteria and animals. It is a glucose polymer linked by α-1,4 glucose linkages and branched via α-1,6-linkages, with the latter reaction catalyzed by branching enzymes. Both the length and dispensation of these branches are critical in defining the structure, density, and relative bioavailability of the storage polysaccharide. Key to this is the specificity of branching enzymes because they define branch length. Herein, we report the crystal structure of the maltooctaose-bound branching enzyme from the enterobacteria E. coli. The structure identifies three new malto-oligosaccharide binding sites and confirms oligosaccharide binding in seven others, bringing the total number of oligosaccharide binding sites to twelve. In addition, the structure shows distinctly different binding in previously identified site I, with a substantially longer glucan chain ordered in the binding site. Using the donor oligosaccharide chain-bound Cyanothece branching enzyme structure as a guide, binding site I was identified as the likely binding surface for the extended donor chains that the E. coli branching enzyme is known to transfer. Furthermore, the structure suggests that analogous loops in branching enzymes from a diversity of organisms are responsible for branch chain length specificity. Together, these results suggest a possible mechanism for transfer chain specificity involving some of these surface binding sites.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Image-Driven Hybrid Structural Analysis Based on Continuum Point Cloud Method with Boundary Capturing Technique

Conventional approaches for the structural health monitoring of infrastructures often rely on physical sensors or targets attached to structural members, which require considerable preparation, maintenance, and operational effort, including continuous on-site adjustments. This paper presents an image-driven hybrid structural analysis technique that combines digital image processing (DIP) and regression analysis with a continuum point cloud method (CPCM) built on a particle-based strong formulation. Polynomial regressions capture the boundary shape change due to the structural loading and precisely identify the edge and corner coordinates of the deformed structure. The captured edge profiles are transformed into essential boundary conditions. This allows the construction of a strongly formulated boundary value problem (BVP), classified as the Dirichlet problem. Capturing boundary conditions from the digital image is novel, although a similar approach was applied to the point cloud data. It was shown that the CPCM is more efficient in this hybrid simulation framework than the weak-form-based numerical schemes. Unlike the finite element method (FEM), it can avoid aligning boundary nodes with regression points. A three-point bending test of a rubber beam was simulated to validate the developed technique. The simulation results were benchmarked against numerical results by ANSYS and various relevant numerical schemes. The technique can effectively solve the Dirichlet-type BVP, yielding accurate deformation, stress, and strain values across the entire problem domain when employing a linear strain model and increasing the number of CPCM nodes. In addition, comparative analysis with conventional displacement tracking techniques verifies the developed technique’s robustness. The proposed technique effectively circumvents the inherent limitations of traditional monitoring methods resulting from the reliance on physical gauges or target markers so that a robust and non-contact solution for remote structural health monitoring in real-scale infrastructures can be provided, even in unfavorable experimental environments.

Chemistry↗
DOE OSTI2020

Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials

Half-Heusler materials are strong candidates for thermoelectric applications due to their high weighted mobilities and power factors, which is known to be correlated to valley degeneracy in the electronic band structure. However, there are over 50 known semiconducting half-Heusler phases, and it is not clear how the chemical composition affects the electronic structure. While all the n-type electronic structures have their conduction band minimum at either the Γ - or X -point, there is more diversity in the p-type electronic structures, and the valence band maximum can be at either the Γ -, L -, or W -point. Here, we use high throughput computation and machine learning to compare the valence bands of known half-Heusler compounds and discover new chemical guidelines for promoting the highly degenerate W -point to the valence band maximum. We do this by constructing an “orbital phase diagram” to cluster the variety of electronic structures expressed by these phases into groups, based on the atomic orbitals that contribute most to their valence bands. Then, with the aid of machine learning, we develop new chemical rules that predict the location of the valence band maximum in each of the phases. These rules can be used to engineer band structures with band convergence and high valley degeneracy.

36 MATERIALS SCIENCE↗
NASA NTRS1974

An analysis of fracture trace patterns in areas of flat-lying sedimentary rocks for the detection of buried geologic structure

Two study areas in a cratonic platform underlain by flat-lying sedimentary rocks were analyzed to determine if a quantitative relationship exists between fracture trace patterns and their frequency distributions and subsurface structural closures which might contain petroleum. Fracture trace lengths and frequency (number of fracture traces per unit area) were analyzed by trend surface analysis and length frequency distributions also were compared to a standard Gaussian distribution. Composite rose diagrams of fracture traces were analyzed using a multivariate analysis method which grouped or clustered the rose diagrams and their respective areas on the basis of the behavior of the rays of the rose diagram. Analysis indicates that the lengths of fracture traces are log-normally distributed according to the mapping technique used. Fracture trace frequency appeared higher on the flanks of active structures and lower around passive reef structures. Fracture trace log-mean lengths were shorter over several types of structures, perhaps due to increased fracturing and subsequent erosion. Analysis of rose diagrams using a multivariate technique indicated lithology as the primary control for the lower grouping levels. Groupings at higher levels indicated that areas overlying active structures may be isolated from their neighbors by this technique while passive structures showed no differences which could be isolated.

Podwysocki, M. H.↗
NASA NTRS1974

Pyramidal structures on Mars

Triangular and polygonal pyramid like structures have been observed on the Martian surface. Located in the east central portion of Elysium Quadrangle (MC-15), these features are visible on the Mariner 9 photographs. B frames MTVS 4205-3 DAS 07794853 and MTVS 4296-24 DAS 12985882. The structures cast triangular and polygonal shadows. Steep-sided volcanic cones and impact craters occur only a few kilometers away. The mean diameter of the triangular pyramidal structures at the base is approximately 3.0 km, and the mean diameter of the polygonal structures is approximately 6.0 km. The observed Martian structures tend to line up suggesting joint or fault control. However, they do not appear to be controlled by the visible faults. The structures appear to be either wind-faceted volcanic cones and blocks or solidified blocks which have been rotated in semiconsolidated lava.

Gipson, M., Jr.↗
NASA NTRS1975

Long-term evolution of solar sector structure

The large-scale structure of the solar magnetic field during the past five sunspot cycles (representing by implication a much longer interval of time) has been investigated, using the polarity (toward or away from the Sun) of the interplanetary magnetic field as inferred from polar geomagnetic observations. The polarity of the interplanetary magnetic field has previously been shown to be closely related to the polarity (into or out of the Sun) of the large-scale solar magnetic field. It appears that a solar structure with four sectors per rotation persisted through the past five sunspot cycles with a synodic rotation period near 27.0 days, and a small relative westward drift during the first half of each sunspot cycle and a relative eastward drift during the second half of each cycle. Superimposed on this four-sector structure there is another structure with inward field polarity, a width in solar longitude of about 100 deg, and a synodic rotation period of about 28 to 29 days. This 28.5-day structure is usually most prominent during a few years near sunspot maximum. Some preliminary comparisons of these observed solar structures with theoretical considerations are given.

Svalgaard, L.↗
NASA NTRS1976

Approximation concepts for efficient structural synthesis

It is shown that efficient structural synthesis capabilities can be created by using approximation concepts to mesh finite element structural analysis methods with nonlinear mathematical programming techniques. The history of the application of mathematical programming techniques to structural design optimization problems is reviewed. Several rather general approximation concepts are described along with the technical foundations of the ACCESS 1 computer program, which implements several approximation concepts. A substantial collection of structural design problems involving truss and idealized wing structures is presented. It is concluded that since the basic ideas employed in creating the ACCESS 1 program are rather general, its successful development supports the contention that the introduction of approximation concepts will lead to the emergence of a new generation of practical and efficient, large scale, structural synthesis capabilities in which finite element analysis methods and mathematical programming algorithms will play a central role.

Schmit, L. A., Jr.↗
NASA NTRS1976

A Nestable Tapered Column Concept for Large Space Structures

A structural element concept is described which permits achievement of weight critical payloads for space shuttle. These columns are highly efficient structural members which could be the basic building elements for very large, space truss structures. Parametric results are presented which show that untapered cylindrical columns result in volume limited payloads on the space shuttle and that nestable, tapered columns easily eliminate this problem. It is recognized that the tapered column concept belongs to a class of structures which must be assembled in orbit. However, analytical results are presented which indicate that the gain in the amount of structure placed in orbit per launch, is great enough that such a concept should be considered in future systems studies of very large space structures.

Bush, H. G.↗
NASA NTRS1976

Toward a second generation fuel efficient supersonic cruise aircraft structural design for efficiency

The unique challenge of this concept to the structural designer is discussed. The potential of the application of advanced structural design concepts and new titanium fabrication processes is emphasized. Highlighted are the results of a detailed structural analysis, including weight and flutter, showing successful use of the ATLAS structural design and analysis system. It is concluded that blending of the structure may not have an adverse impact on structural efficiency, weight, and manufacturing complexity.

Hoy, J. R.↗
NASA NTRS1976

Study of structural design concepts for an arrow wing supersonic transport configuration, volume 1. Tasks 1 and 2

A structural design study was made, based on a 1975 level of technology, to assess the relative merits of structural concepts and materials for an advanced supersonic transport cruising at Mach 2.7. Preliminary studies were made to insure compliance of the configuration with general design criteria, to integrate the propulsion system with the airframe, to select structural concepts and materials, and to define an efficient structural arrangement. An advanced computerized structural design system was used, in conjunction with a relatively large, complex finite element model, for detailed analysis and sizing of structural members to satisfy strength and flutter criteria. A baseline aircraft design was developed for assessment of current technology and for use in future studies of aerostructural trades, and application of advanced technology. Criteria, analysis methods, and results are presented.

Source record↗
NASA NTRS1978

Study of advanced composite structural design concepts for an arrow wing supersonic cruise configuration, task 3

A structural design study was conducted to assess the relative merits of structural concepts using advanced composite materials for an advanced supersonic aircraft cruising at Mach 2.7. The configuration and structural arrangement developed during Task I and II of the study, was used as the baseline configuration. Allowable stresses and strains were established for boron and advanced graphite fibers based on projected fiber properties available in the next decade. Structural concepts were designed and analyzed using graphite polyimide and boron polyimide, applied to stiffened panels and conventional sandwich panels. The conventional sandwich panels were selected as the structural concept to be used on the wing structure. The upper and lower surface panels of the Task I arrow wing were redesigned using high-strength graphite polyimide sandwich panels over the titanium spars and ribs. The ATLAS computer system was used as the basis for stress analysis and resizing the surface panels using the loads from the Task II study, without adjustment for change in aeroelastic deformation. The flutter analysis indicated a decrease in the flutter speed compared to the baseline titanium wing design. The flutter analysis indicated a decrease in the flutter speed compared to the baseline titanium wing design. The flutter speed was increased to that of the titanium wing, with a weight penalty less than that of the metallic airplane.

Source record↗
NASA NTRS1978

Recent advances in thermal-structural analysis and design

A continuing effort to develop a comprehensive capability for thermal-structural analysis and automated design (sizing) is reviewed. A principal role in the activity is played by the finite element program SPAR which contains both an efficient structural and thermal analysis capability. The benefit of having thermal and structural analyses in the same finite element program is illustrated by the application of SPAR to design calculations for the National Transonic Facility - a cryogenic wind tunnel under construction at Langley. Some experience with large-scale thermal structural analysis problems, particularly the space shuttle orbiter, has led to the identification of some analysis needs. Those needs include automated model generation and data output for lumped parameter thermal analysis, faster solution methods for nonlinear transient heat transfer, automated interpolation of temperature data from a thermal finite element model to a dissimilar structural finite model, and automated techniques to identify the times at which the critical combinations of transient heating and loads occur on a structure.

Adelman, H. M.↗
NASA NTRS1979

On the structure of the solar transition zone and lower corona

Recent observations of the solar transition zone and corona obtained primarily from NRL spectrographs on Skylab are summarized and used to examine the structure of the transition zone. The transition zone is revealed to be more inhomogeneous than is apparent from spectroheliograms with spatial resolution of about 3 arcsec. Transition-zone emission appears to arise in spicularlike structures. The effective area covered by the emitting structures at lower transition-zone temperatures (about 100,000 K) is only about 1% of the total surface area of the sun. The transition zone is highly inhomogeneous even over cell interior regions, where fluctuations in brightness by factors of 25 can occur. It is shown that homogeneous coronal models are not valid for the inner corona. Most of the higher-density inner corona is concentrated into looplike structures that extend down to the white-light limb. These structures are unrelated to the spicular-type structures that produce most of the transition-zone emission.

Feldman, U.↗
NASA NTRS1979

Control of large space structures

The control of large space structures was studied to determine what, if any, limitations are imposed on the size of spacecraft which may be controlled using current control system design technology. Using a typical structure in the 35 to 70 meter size category, a control system design that used actuators that are currently available was designed. The amount of control power required to maintain the vehicle in a stabilized gravity gradient pointing orientation that also damped various structural motions was determined. The moment of inertia and mass properties of this structure were varied to verify that stability and performance were maintained. The study concludes that the structure's size is required to change by at least a factor of two before any stability problems arise. The stability margin that is lost is due to the scaling of the gravity gradient torques (the rigid body control) and as such can easily be corrected by changing the control gains associated with the rigid body control. A secondary conclusion from the study is that the control design that accommodates the structural motions (to damp them) is a little more sensitive than the design that works on attitude control of the rigid body only.

Gran, R.↗
NASA NTRS1980

Steady state solutions to dynamically loaded periodic structures

The general problem of solving for the steady state (time domain) dynamic response (i.e., NASTRAN rigid format-8) of a general elastic periodic structure subject to a phase difference loading of the type encountered in traveling wave propagation problems was studied. Two types of structural configurations were considered; in the first type, the structure has a repeating pattern over a span that is long enough to be considered, for all practical purposes, as infinite; in the second type, the structure has structural rotational symmetry in the circumferential direction. The theory and a corresponding set of DMAP instructions which permits the NASTRAN user to automatically alter the rigid format-8 sequence to solve the intended class of problems are presented. Final results are recovered as with any ordinary rigid format-8 solution, except that the results are only printed for the typical periodic segment of the structure. A simple demonstration problem having a known exact solution is used to illustrate the implementation of the procedure.

Kalinowski, A. J.↗
NASA NTRS1979

Gyrodampers for large space structures

The problem of controlling the vibrations of a large space structures by the use of actively augmented damping devices distributed throughout the structure is addressed. The gyrodamper which consists of a set of single gimbal control moment gyros which are actively controlled to extract the structural vibratory energy through the local rotational deformations of the structure, is described and analyzed. Various linear and nonlinear dynamic simulations of gyrodamped beams are shown, including results on self-induced vibrations due to sensor noise and rotor imbalance. The complete nonlinear dynamic equations are included. The problem of designing and sizing a system of gyrodampers for a given structure, or extrapolating results for one gyrodamped structure to another is solved in terms of scaling laws. Novel scaling laws for gyro systems are derived, based upon fundamental physical principles, and various examples are given.

Aubrun, J. N.↗
NASA NTRS1980

Application of fully stressed design procedures to redundant and non-isotropic structures

An evaluation is presented of fully stressed design procedures for sizing highly redundant structures including structures made of composite materials. The evaluation is carried out by sizing three structures: a simple box beam of either composite or metal construction; a low aspect ratio titanium wing; and a titanium arrow wing for a conceptual supersonic cruise aircraft. All three structures are sized by ordinary fully-stressed design (FSD) and thermal fully stressed design (TFSD) for combined mechanical and thermal loads. Where possible, designs are checked by applying rigorous mathematical programming techniques to the structures. It is found that FSD and TFSD produce optimum designs for the metal box beam, but produce highly non-optimum designs for the composite box beam. Results from the delta wing and arrow wing indicate that FSD and TFSD exhibits slow convergence for highly redundant metal structures. Further, TFSD exhibits slow oscillatory convergence behavior for the arrow wing for very high temperatures. In all cases where FSD and TFSD perform poorly either in obtaining nonoptimum designs or in converging slowly, the assumptions on which the algorithms are based are grossly violated. The use of scaling, however, is found to be very effective in obtaining fast convergence and efficiently produces safe designs even for those cases when FSD and TFSD alone are ineffective.

Adelman, H. M.↗