Search NASA⌕ Search

SEARCH · Search NASA

Results for “CLASSICAL MECHANICS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Classical eikonal from Magnus expansion

In a classical scattering problem, the classical eikonal is defined as the generator of the canonical transformation that maps in-states to out-states. It can be regarded as the classical limit of the log of the quantum S-matrix. In a classical analog of the Born approximation in quantum mechanics, the classical eikonal admits an expansion in oriented tree graphs, where oriented edges denote retarded/advanced worldline propagators. The Magnus expansion, which takes the log of a time-ordered exponential integral, offers an efficient method to compute the coefficients of the tree graphs to all orders. We exploit a Hopf algebra structure behind the Magnus expansion to develop a fast algorithm which can compute the tree coefficients up to the 12th order (over half a million trees) in less than an hour. In a relativistic setting, our methods can be applied to the post-Minkowskian (PM) expansion for gravitational binaries in the worldline formalism. We demonstrate the methods by computing the 3PM eikonal and find agreement with previous results based on amplitude methods. Importantly, the Magnus expansion yields a finite eikonal, while the naïve eikonal based on the time-symmetric propagator is infrared-divergent from 3PM on.

Black Holes↗
DOE OSTI2025

Perturbative Stability and Error-Correction Thresholds of Quantum Codes

Topologically ordered phases are stable to local perturbations, and topological quantum error-correcting codes enjoy thresholds to local errors. We connect the two notions of stability by constructing classical statistical mechanics models for decoding general Calderbank-Shor-Steane codes and classical linear codes. Our construction encodes correction success probabilities under uncorrelated bit-flip and phase-flip errors, and simultaneously describes a generalized ℤ 2 lattice-gauge theory with quenched disorder. We observe that the clean limit of the latter is precisely the discretized imaginary-time path integral of the corresponding quantum code Hamiltonian when the errors are turned into a perturbative 𝑋 or 𝑍 magnetic field. Motivated by error-correction considerations, we define general order parameters for all such generalized ℤ 2 lattice-gauge theories, and show that they are generally lower bounded by success probabilities of error correction. For CSS codes satisfying the low-density parity-check condition and with a sufficiently large code distance, we prove the existence of a low-temperature ordered phase of the corresponding lattice-gauge theories, particularly for those lacking Euclidean spatial locality and/or when there is a nonzero code rate. We further argue that these results provide evidence for stable phases in the corresponding perturbed quantum Hamiltonians, obtained in the limit of continuous imaginary time. To do so, we distinguish space- and timelike defects in the lattice-gauge theory. A high free-energy cost of spacelike defects corresponds to a successful “memory experiment” and suppresses the energy splitting among the ground states, while a high free-energy cost of timelike defects corresponds to a successful “stability experiment” and points to a nonzero gap to local excitations.

quantum error correction↗
NASA NTRS1989

Modeling the classical nova outburst. I - Exploring the physics of a new mechanism

Model calculations were performed to describe a mechanism that produces classical nova outbursts on white dwarfs of 1 solar mass or less and for accretion rates of 4 x 10 to the -10th solar mass/yr or greater, i.e., the parameters corresponding to observed data of nova systems. Calculations point to four factors that can induce nuclear runaways of sufficient strength to eject about 0.0001 solar mass at speeds of several hundred to a few thousand km per second, as is observed in classical novae. These are (1) the effects of storage of angular momentum in the star's envelope during the accretion phase; (2) the reduction of centrifugal forces in the star's outer layers during the early nuclear runaway phase, through the inward transport of angular momentum; (3) the inward movement of the zone of peak nuclear burning through the convectively induced shear instability during the runaway phase; and (4) the mixing of original CO stellar matter and H-rich matter, also through the convectively induced shear instability.

Kutter, G. Siegfried↗
NASA NTRS1994

Experimental investigation of turbine blade-tip excitation forces

Results of a program to investigate the magnitude and parametric variations of rotordynamic forces which arise in high power turbines due to blade-tip leakage effects are presented. Five different unshrouded turbine configurations and one configuration shrouded with a labyrinth seal were tested with static offsets of the turbine shaft. The forces along and perpendicular to the offset were measured directly with a rotating dynometer. Exploration of casing pressure and flow velocity distributions was used to investigate the force-generating mechanisms. For unshrouded turbines, the cross-forces originate mainly from the classical Alford mechanisms while the direct forces arise mainly from a slightly skewed pressure pattern. The Alford coefficient for cross-force was found to vary between 2.4 and 4.0, while the similar direct force coefficient varied from 1.5 to 3.5. The cross-forces are found to increase substantially when the gap is reduced from 3.0 to 1.9% of blade height, probably due to viscous blade-tip effects. The forces also increase when the hub gap between stator and rotor decreases. The force coefficient decreased with operating flow coefficient. In the case of the shrouded turbine, most of the forces arise from nonuniform seal pressures. This includes about 80% for the transverse forces. The rest appears to come from uneven work extraction. Their level is about 50% higher in the shrouded case.

Martinez-Sanchez, Manuel↗
NASA NTRS1993

An engineering model of woven composites based on micromechanics

Composites with three-dimensional woven architectures exhibit large strains to failure when compared to composites made up of the same materials but not with three-dimensional interlocking tows. The fracture mechanics of such three-dimensional architectures is a subject requiring substantial investigation and experimental testing. Classical fracture mechanics concepts (for instance, an isolated defect in a homogeneous body) will not be applicable to the woven fracture test specimen. The use of an isolated singularity to characterize an entire specimen is inadequate when the density of defects is considerable and the material is heterogeneous. Modelling of such a complex system requires a great deal of insight and consideration as well as prudent choices of model sizes to make numerical schemes feasible. The purpose of this manuscript is to review our recently acquired knowledge of damage accumulation in woven composites and to describe a practicable model of the macroscopic behavior in these and other complex composite architectures based on such knowledge. In this manuscript, discussion will be limited to uniaxial compressive loading; considerations of general loading (monotonic and cyclic) will appear in a subsequent manuscript. Our modelling efforts may be briefly described as follows: the composite is subdivided into microstructural elements (microelements) in which the micromechanical modelling is either understood rigorously or can be represented adequately by statistical parameters. There can be microstructural elements for many different types of composite components, such as the various types of warp and weft and matrix for three-dimensional woven composites. The physical dimensions of microelements are made as large as possible while the response within the element can still be represented by a single micromechatlical calculation. The various elements are linked together(sometimes by associating distinct corners and edges, sometimes by superposition) in a pattern which resembles a particular weave architecture. The model can then be loaded in any manner and the linear and nonlinear elastic responses of representative weaves can be calculated. After the elastic regime, the fracture response is determined by monitoring the damage accumulation.

Carter, W. C.↗
NASA NTRS2002

Micromechanics Modeling of Fracture in Nanocrystalline Metals

Nanocrystalline metals have very high theoretical strength, but suffer from a lack of ductility and toughness. Therefore, it is critical to understand the mechanisms of deformation and fracture of these materials before their full potential can be achieved. Because classical fracture mechanics is based on the comparison of computed fracture parameters, such as stress intlmsity factors, to their empirically determined critical values, it does not adequately describe the fundamental physics of fracture required to predict the behavior of nanocrystalline metals. Thus, micromechanics-based techniques must be considered to quanti@ the physical processes of deformation and fracture within nanocrystalline metals. This paper discusses hndamental physicsbased modeling strategies that may be useful for the prediction Iof deformation, crack formation and crack growth within nanocrystalline metals.

Glaessgen, E. H.↗
NASA NTRS1994

The Relationship Between Constraint and Ductile Fracture Initiation as Defined by Micromechanical Analyses

The use of small laboratory specimens to predict the integrity of large, complex structures relies on the validity of single parameter fracture mechanics. Unfortunately, the constraint loss associated with large scale yielding, whether in a laboratory specimen because of its small size or in a structure because it contains shallow flaws loaded in tension, can cause the breakdown of classical fracture mechanics and the loss of transferability of critical, global fracture parameters. Although the issue of constraint loss can be eliminated by testing actual structural configurations, such an approach can be prohibitively costly. Hence, a methodology that can correct global fracture parameters for constraint effects is desirable. This research uses micromechanical analyses to define the relationship between global, ductile fracture initiation parameters and constraint in two specimen geometries (SECT and SECB with varying a/w ratios) and one structural geometry (circumferentially cracked pipe). Two local fracture criteria corresponding to ductile fracture micromechanisms are evaluated: a constraint-modified, critical strain criterion for void coalescence proposed by Hancock and Cowling and a critical void ratio criterion for void growth based on the Rice and Tracey model. Crack initiation is assumed to occur when the critical value in each case is reached over some critical length. The primary material of interest is A516-70, a high-hardening pressure vessel steel sensitive to constraint; however, a low-hardening structural steel that is less sensitive to constraint is also being studied. Critical values of local fracture parameters are obtained by numerical analysis and experimental testing of circumferentially notched tensile specimens of varying constraint (e.g., notch radius). These parameters are then used in conjunction with large strain, large deformation, two- and three-dimensional finite element analyses of the geometries listed above to predict crack initiation loads and to calculate the associated (critical) global fracture parameters. The loads are verified experimentally, and microscopy is used to measure pre-crack length, crack tip opening displacement (CTOD), and the amount of stable crack growth. Results for A516-70 steel indicate that the constraint-modified, critical strain criterion with a critical length approximately equal to the grain size (0.0025 inch) provides accurate predictions of crack initiation. The critical void growth criterion is shown to considerably underpredict crack initiation loads with the same critical length. The relationship between the critical value of the J-integral for ductile crack initiation and crack depth for SECT and SECB specimens has been determined using the constraint-modified, critical strain criterion, demonstrating that this micromechanical model can be used to correct in-plane constraint effects due to crack depth and bending vs. tension loading. Finally, the relationship developed for the SECT specimens is used to predict the behavior of circumferentially cracked pipe specimens.

Panontin, Tina L.↗
NASA NTRS1993

On a Lagrange-Hamilton formalism describing position and momentum uncertainties

According to Heisenberg's uncertainty relation, in quantum mechanics it is not possible to determine, simultaneously, exact values for the position and the momentum of a material system. Calculating the mean value of the Hamiltonian operator with the aid of exact analytic Gaussian wave packet solutions, these uncertainties cause an energy contribution additional to the classical energy of the system. For the harmonic oscillator, e.g., this nonclassical energy represents the ground state energy. It will be shown that this additional energy contribution can be considered as a Hamiltonian function, if it is written in appropriate variables. With the help of the usual Lagrange-Hamilton formalism known from classical particle mechanics, but now considering this new Hamiltonian function, it is possible to obtain the equations of motion for position and momentum uncertainties.

Schuch, Dieter↗
DOE OSTI2026

Quantum kinetic modeling of KEEN waves in a warm-dense regime

We report the first fully kinetic, quantum study of kinetic electrostatic electron nonlinear (KEEN) waves, showing that quantum diffraction systematically erodes the classical trapping mechanism, narrows harmonic locking to the fundamental, and hastens post-drive decay. Electrons are evolved with a second-order Strang-split 1D1V Wigner–Poisson solver that couples conservative semi-Lagrangian WENO advection to an analytic Fourier space update for the non-local Wigner term, while ions remain classical. We focus on collisionless dynamics in a weakly coupled regime, providing a controlled baseline before collisional extensions. Short, frequency-tuned ponderomotive pulses drive KEEN formation in a uniform Maxwellian plasma; as the dimensionless quantum parameter H rises from the classical limit to values relevant to warm-dense matter, doped semiconductors, and 2D electron systems, the drive threshold increases, higher harmonics are damped, trapped electron vortices diffuse, and the subplasma electrostatic energy relaxes to a lower stationary level, as confirmed by continuous wavelet analysis. These microscopic changes carry macroscopic weight. Ignition-scale capsules now compress matter to regimes where the electron de Broglie wavelength rivals the Debye length, making classical kinetic descriptions insufficient. By extending KEEN physics into this quantum domain, our results offer a potential diagnostic of non-equilibrium electron dynamics for next-generation inertial-confinement designs and high-energy-density platforms, indicating that predictive fusion modeling may benefit from the integration of kinetic fidelity with quantum effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1988

Ejection mechanisms in the sublayer of a turbulent channel

The structure of the vorticity field in the viscous wall layer of a turbulent channel is studied by examining the results of a fully resolved direct numerical simulation. It is shown that this region is dominated by intense three-dimensional shear layers in which the dominant vorticity component is spanwise. The advection and reproduction processes of these structures are examined and shown to be consistent with the classical generation mechanism for two-dimensional Tollmien-Schlichting waves. This process is fundamentally different from the usually accepted mechanism involving hairpin vortices.

Jimenez, Javier↗
NASA NTRS1993

Isothermal fatigue mechanisms in Ti-based metal matrix composites

Stress-controlled isothermal fatigue experiments were performed at room temperature (RT) and 548 C (in argon) on (0)8 SCS6/Ti 15-3 metal matrix composites (MMC's) with 15 and 41 volume percent SCS6 (SiC) fibers. The primary objectives were to evaluate the mechanical responses, and to obtain a clear understanding of the damage mechanisms leading to failure of the MMC's. The mechanical data indicated that strain ranges attained fairly constant values in the stress-controlled experiments at both RT and 538 C, and remained so for more than 85 percent of life. The fatigue data for MMC's with different volume fraction fibers showed that MMC life was controlled by the imposed strain range rather than the stress range. At RT, and at low and intermediate strain ranges, the dominant fatigue mechanism was matrix fatigue, and this was confirmed metallurgically from fractographic evidence as well as from observations of channel type dislocation structures in the matrix of fatigued MMC specimens. Reaction-zone cracks acted as important crack initiating sites at RT, with their role being to facilitate slip band formation and consequent matrix crack initiation through classical fatigue mechanisms. MMC life agreed with matrix life at the lower strain ranges, but was smaller than matrix life at higher strain ranges. Unlike the case of monotonic deformation, debonding damage was another major damage mechanism during fatigue at RT, and it increased for higher strain ranges. At high strain ranges at RT, fractography and metallography showed an absence of matrix cracks, but long lengths of debonds in the outer layers of the SCS6 fibers. Such debonding and consequent rubbing during fatigue is believed to have caused fiber damage and their failure at high strain ranges. Thus, whereas life was matrix dominated at low and intermediate strain ranges, it was fiber dominated at high strain ranges. At 538 C, the mean stain constantly increased (ratchetting) with the number of cycles. At high strain ranges, such ratchetting led to overload failure of the fibers, and debonding of the type at RT was very small. At intermediate strain ranges, fractography showed large areas of matrix cracks. However, in spite of this matrix dominated mechanism, the MMC life at elevated temperatures was significantly less than the matrix fatigue life at all strain ranges. The reason for this difference is still unclear, although metallographic and fractographic evidences suggest that internal crack initiation sites at Mo-ribbons and reaction-zone cracks may have played a critical role, with the former tending to dominate.

Majumdar, Bhaskar S.↗
DOE OSTI2024

Shearless effective barriers to chaotic transport induced by even twin islands in nontwist systems

For several decades now it has been known that systems with shearless invariant tori, nontwist Hamiltonian systems, possess barriers to chaotic transport. These barriers are resilient to breakage under perturbation and therefore regions where they occur are natural places to look for barriers to transport. Here we describe a kind of effective barrier that persists after the shearless torus is broken. Because phenomena are generic, for convenience we study the standard nontwist map (SNM), an area-preserving map that violates the twist condition locally in the phase space. The barrier occurs in nontwist systems when twin even period islands are present, which happens for a broad range of parameter values in the SNM. With a phase space composed of regular and irregular orbits, the movement of chaotic trajectories is hampered by the existence of shearless curves, total barriers, and a network of partial barriers formed by the stable and unstable manifolds of the hyperbolic points. Being a degenerate system, the SNM has twin islands and, consequently, twin hyperbolic points. We show that the structures formed by the manifolds intrinsically depend on period parity of the twin islands. For this even scenario the structure that we call a torus free barrier occurs because the manifolds of different hyperbolic points form an intricate chain atop a dipole configuration and the transport of chaotic trajectories through the chain becomes a rare event. This structure impacts the emergence of transport, the escape basin for chaotic trajectories, the transport mechanism, and the chaotic saddle. The case of odd periodic orbits is different: we find for this case the emergence of transport immediately after the breakup of the last invariant curve, and this leads to a scenario of higher transport, with intricate escape basin boundary and a chaotic saddle with nonuniformly distributed points.

classical mechanics↗
DOE OSTI2024

Ability of x‐ray computed tomography to resolve critical flaw size in laser‐based, paste stereolithography ceramic printing of alumina

Abstract Complex alumina parts were printed using vat photopolymerization (VPP), which is a stereolithography‐based additive manufacturing (AM) technique used to shape ceramic preforms, or green parts. The critical flaw size was determined using classical fracture mechanics techniques. The strength and fracture toughness were measured and compared to flaws detected in x‐ray computed tomography (XCT or CT) distributions as well as the fracture surfaces. The strength was lower compared traditionally made alumina, and that is due to layering effects, slurry defects, and printing defects. The critical flaw size from fracture mechanics was 206 µm. XCT has high enough resolution to detect the critical flaw size and much smaller features, where the average flaw size observed in CT scans was around 80–100 µm. The fracture surfaces indicate that flaws causing failure are larger than that of the critical flaw size (∼300 µm), but fracture surfaces do not show definitive features compared to traditionally made ceramics. Since XCT can observe flaws smaller than the critical flaw size, this method can be used as a screening technique.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Molecular origin of viscoelasticity and influence of methylation in mesophase pitch

The viscoelastic and thermomechanical properties of pitches are responsible for their melt-spinning behavior, which is a critical step for manufacturing high-performance pitch-based carbon fibers. Here, we systematically explore the impact of methyl group modifications on the viscoelastic and thermal properties of mesophase pitches. We employ a range of atomistic modeling approaches, including Density Functional Theory (DFT), Density Functional Tight Binding (DFTB), and Classical Molecular Mechanics (MM), to provide detailed insights into the molecular interactions and structural changes. Further, our results revealed the molecular mechanisms that promote layered structures leading to the anisotropic nature of the viscoelastic behavior of mesophase pitch. Furthermore, we propose a modified molecular representation of naphthalene-based mesophase pitch based on the analysis of x-ray diffraction measurements. This study provides fundamental insights into the molecular structures of mesophase pitch and the role of methyl groups controlling its viscosity, which offer valuable insights into mesophase-based carbon fiber production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Confinement-controlled selective CO 2 insertion into a dicopper dihydride core: A multiscale mechanistic study

CO 2 is an abundant C 1 feedstock for fuel and chemical synthesis. We have previously demonstrated experimentally a stepwise insertion of CO 2 into a [Cu 2 H 2 ] core via a solid–gas in crystallo reaction, forming formate species that are unstable and inaccessible under solution-phase conditions. This work elucidates how structural confinement within the crystal lattice enables such selective reactivity. In particular, co-crystallized tetrahydrofuran molecules induce site asymmetry around the [Cu 2 H 2 ] unit, modulating both the local electronic environment and CO 2 diffusion pathways. Using a multiscale computational approach that combines classical molecular mechanics, hybrid quantum mechanics/molecular mechanics molecular dynamics, and enhanced-sampling free energy calculations, we demonstrate how site asymmetry affects CO 2 binding affinities and reaction pathways. These results provide detailed mechanistic insight into CO 2 insertion and hydride transfer, highlighting key differences between crystal- and solution-phase pathways and offering a general framework for understanding how lattice confinement shapes chemical reactivity.

Chemical bonding↗
DOE OSTI2025

Quasiclassical sampling and Wigner sampling of initial vibrational coordinates and momenta for polyatomic molecules in Monte Carlo molecular dynamics simulations

In a quasiclassical trajectory simulation, the vibrational modes are initialised with quantised vibrational energies, but vibrational phases are sampled by Monte Carlo. This requires an algorithm to assign coordinates and momenta to the various atoms. In this work, we present two methods for implementing this for nonrotating polyatomic molecules, namely, fixed-energy vibrational-state-selected initial conditions and thermal initial conditions. We also present a method for initiating classical trajectories with a ground-state Wigner distribution. These vibrational treatments are sufficient to initialise trajectories for unimolecular processes, and we also show how they can be applied to simulate bimolecular collision processes. The treatments of unimolecular and bimolecular collision processes are available in two Python codes called wigner_state_selected.py and bimolecular_collision.py, respectively, which will generate initial condition files that are recognisable by the SHARC and SHARC-MN computer programs for dynamics calculations. Both codes are available as standalone programs, as well as being included in SHARC-MN, and they will be included in future versions of SHARC. Here, the methods implemented in these codes are mostly also available in the ANT computer program, and those that are not available in ANT will be incorporated in future versions of ANT.

Wigner distribution↗